==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JUL-11 3T0F . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTAS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.SPAN,T.GRAEWERT,A.BACHER,W.EISENREICH,M.GROLL . 618 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 37 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 1 1 0 2 2 1 1 2 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -5 A H 0 0 180 0, 0.0 287,-0.1 0, 0.0 288,-0.0 0.000 360.0 360.0 360.0 -26.9 3.3 22.1 -13.5 2 -4 A H + 0 0 108 1,-0.2 292,-0.9 292,-0.1 2,-0.3 0.676 360.0 42.1-147.8 -1.9 0.8 20.5 -11.1 3 -3 A H + 0 0 166 290,-0.3 2,-0.3 289,-0.2 -1,-0.2 -0.978 61.4 107.3-137.1 149.0 -2.8 19.2 -11.3 4 -2 A G - 0 0 52 -2,-0.3 289,-0.2 1,-0.1 288,-0.1 -0.935 69.2 -65.0 168.9-173.9 -4.4 17.1 -14.0 5 -1 A S S S+ 0 0 104 -2,-0.3 2,-0.3 287,-0.1 287,-0.2 0.804 101.4 59.8 -58.4 -57.5 -5.7 13.7 -15.2 6 1 A M E S-a 292 0A 4 285,-0.8 287,-1.2 281,-0.1 2,-0.4 -0.667 76.5-134.5 -82.6 122.3 -2.6 11.3 -15.3 7 2 A Q E - b 0 266A 84 258,-2.8 260,-3.1 -2,-0.3 2,-0.5 -0.701 14.6-150.6 -80.9 137.7 -0.7 10.6 -12.2 8 3 A I E -ab 295 267A 0 286,-0.6 288,-2.0 -2,-0.4 2,-0.4 -0.960 13.4-172.9-109.0 126.3 3.2 10.8 -12.5 9 4 A L E -ab 296 268A 6 258,-2.3 260,-2.3 -2,-0.5 2,-0.5 -0.945 11.5-149.4-118.5 136.4 5.2 8.5 -10.1 10 5 A L E -ab 297 269A 8 286,-2.2 288,-3.2 -2,-0.4 260,-0.2 -0.943 18.1-128.6-104.2 121.6 9.1 8.7 -9.8 11 6 A A - 0 0 0 258,-2.0 201,-0.1 -2,-0.5 289,-0.1 -0.241 28.2-116.3 -59.7 159.1 11.0 5.4 -8.9 12 7 A N S S+ 0 0 47 1,-0.2 289,-0.4 287,-0.2 2,-0.2 -0.907 94.8 27.0-152.2 117.5 13.4 5.7 -5.9 13 8 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.571 87.5 141.9 -75.0 160.7 16.5 5.2 -6.3 14 9 A R + 0 0 61 -2,-0.2 258,-0.2 2,-0.1 263,-0.1 -0.863 42.4 23.2-150.3 160.1 16.8 6.2 -10.1 15 10 A G S S+ 0 0 8 256,-2.3 256,-0.1 -2,-0.3 193,-0.1 -0.127 95.2 29.1 86.4-158.7 19.5 8.1 -11.9 16 11 A F - 0 0 63 259,-0.6 258,-0.2 1,-0.1 2,-0.1 0.008 58.0-159.4 -49.5 130.6 23.2 8.6 -11.1 17 12 A C > - 0 0 20 256,-1.0 4,-2.2 1,-0.0 5,-0.2 -0.391 36.4 -97.4 -91.9 175.1 25.2 6.1 -9.2 18 13 A A H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 289,-0.4 0.899 120.9 51.0 -62.1 -44.5 28.5 6.6 -7.3 19 14 A G H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.859 111.6 45.0 -62.8 -47.8 30.6 5.3 -10.1 20 15 A V H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.908 111.6 53.1 -64.7 -40.7 29.1 7.5 -12.8 21 16 A D H X S+ 0 0 83 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.957 112.4 46.2 -57.3 -47.0 29.2 10.6 -10.5 22 17 A R H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.949 112.5 50.0 -55.2 -53.7 32.9 9.9 -10.0 23 18 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.912 111.2 47.0 -53.2 -57.0 33.6 9.3 -13.7 24 19 A I H X S+ 0 0 14 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.885 113.6 49.7 -49.9 -47.6 31.8 12.5 -14.8 25 20 A S H X S+ 0 0 26 -4,-2.0 4,-3.1 -5,-0.3 5,-0.2 0.855 104.4 57.6 -69.3 -28.9 33.7 14.5 -12.1 26 21 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.925 112.9 41.6 -61.2 -40.0 37.1 13.0 -13.2 27 22 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.914 117.9 45.2 -74.6 -44.0 36.4 14.5 -16.7 28 23 A E H X S+ 0 0 62 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.889 115.2 48.2 -63.8 -43.7 35.0 17.8 -15.4 29 24 A N H X S+ 0 0 41 -4,-3.1 4,-2.2 2,-0.2 5,-0.2 0.854 109.1 51.3 -70.0 -38.0 37.8 18.2 -12.9 30 25 A A H X>S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 5,-0.7 0.888 112.9 47.6 -65.0 -39.6 40.6 17.4 -15.4 31 26 A L H X5S+ 0 0 14 -4,-2.0 4,-1.2 3,-0.2 -2,-0.2 0.922 114.3 45.4 -66.6 -43.2 39.1 20.0 -17.8 32 27 A A H <5S+ 0 0 86 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.859 122.4 37.8 -68.0 -30.3 38.8 22.6 -15.0 33 28 A I H <5S+ 0 0 82 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.932 133.0 19.3 -91.3 -49.7 42.4 21.9 -13.7 34 29 A Y H <5S- 0 0 119 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.610 103.7-126.4 -93.6 -17.1 44.4 21.2 -16.9 35 30 A G << - 0 0 30 -4,-1.2 -3,-0.1 -5,-0.7 -1,-0.1 0.046 45.3 -20.0 84.2 157.7 42.2 22.9 -19.5 36 31 A A S S+ 0 0 65 21,-0.1 23,-0.1 -5,-0.1 22,-0.1 -0.516 99.6 58.4 -70.5 149.0 40.8 21.6 -22.8 37 32 A P + 0 0 68 0, 0.0 2,-0.4 0, 0.0 36,-0.4 0.483 57.5 161.2 -91.2 155.7 41.5 19.4 -24.5 38 33 A I E -e 59 0B 0 20,-1.1 22,-3.2 34,-0.1 2,-0.4 -0.994 31.3-136.6-127.3 133.4 41.2 16.2 -22.4 39 34 A Y E -ef 60 74B 41 34,-3.1 36,-2.0 -2,-0.4 2,-0.5 -0.715 16.3-167.2 -93.1 135.0 40.9 12.9 -24.2 40 35 A V E -ef 61 75B 0 20,-3.1 22,-3.2 -2,-0.4 2,-1.0 -0.984 21.1-132.1-123.3 131.5 38.5 10.3 -23.2 41 36 A R E S-ef 62 76B 25 34,-2.5 36,-0.7 -2,-0.5 22,-0.2 -0.685 76.0 -27.5 -77.3 107.3 38.7 6.8 -24.5 42 37 A H S S- 0 0 47 20,-3.2 20,-0.2 -2,-1.0 2,-0.1 0.003 113.1 -35.0 67.1 171.6 35.0 5.9 -25.5 43 38 A E - 0 0 48 1,-0.2 35,-0.1 18,-0.1 3,-0.1 -0.388 55.5-136.1 -63.0 138.0 32.1 7.5 -23.9 44 39 A V S S+ 0 0 0 1,-0.2 34,-2.3 33,-0.2 2,-0.3 0.922 91.6 2.6 -63.7 -38.0 32.9 8.1 -20.2 45 40 A V S S- 0 0 2 2,-0.2 2,-2.3 32,-0.1 6,-0.2 -0.951 88.7-101.0-140.9 154.2 29.4 6.8 -19.5 46 41 A H S S+ 0 0 26 -2,-0.3 181,-0.9 -3,-0.1 2,-0.4 -0.322 85.7 105.7 -75.0 53.4 26.7 5.4 -21.8 47 42 A N > - 0 0 0 -2,-2.3 4,-3.1 179,-0.1 -2,-0.2 -0.967 57.3-154.8-137.4 127.3 24.6 8.6 -21.9 48 43 A R H > S+ 0 0 97 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.834 95.2 52.1 -75.0 -24.3 24.6 10.9 -24.9 49 44 A Y H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 111.3 45.5 -77.0 -38.1 23.6 14.0 -23.0 50 45 A V H > S+ 0 0 9 224,-0.2 4,-2.2 2,-0.2 5,-0.2 0.965 116.3 48.2 -64.7 -46.8 26.4 13.5 -20.5 51 46 A V H X S+ 0 0 3 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.918 113.0 46.3 -62.5 -49.4 28.8 12.8 -23.4 52 47 A D H X S+ 0 0 82 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.869 110.6 54.6 -57.6 -42.7 27.7 15.8 -25.5 53 48 A S H X S+ 0 0 41 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.890 110.4 45.3 -58.0 -41.8 27.9 18.1 -22.3 54 49 A L H X>S+ 0 0 4 -4,-2.2 5,-3.0 2,-0.2 4,-0.7 0.851 108.7 56.2 -72.2 -36.2 31.5 17.1 -21.7 55 50 A R H ><5S+ 0 0 121 -4,-2.2 3,-1.9 -5,-0.2 -2,-0.2 0.965 104.8 52.8 -53.4 -54.8 32.3 17.6 -25.4 56 51 A E H 3<5S+ 0 0 174 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.884 106.4 54.2 -44.5 -43.9 31.0 21.2 -25.1 57 52 A R H 3<5S- 0 0 144 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.659 133.6 -89.9 -73.1 -9.3 33.3 21.7 -22.1 58 53 A G T <<5S+ 0 0 16 -3,-1.9 -20,-1.1 -4,-0.7 -3,-0.2 0.512 76.9 143.9 113.6 3.8 36.3 20.5 -24.3 59 54 A A E < -e 38 0B 0 -5,-3.0 2,-0.5 -22,-0.2 -1,-0.3 -0.575 37.7-149.7 -71.0 135.5 36.5 16.7 -23.8 60 55 A I E -e 39 0B 69 -22,-3.2 -20,-3.1 -2,-0.2 2,-0.6 -0.962 5.4-150.4-107.2 117.7 37.5 14.8 -26.9 61 56 A F E +e 40 0B 33 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.751 22.7 179.8 -92.1 114.7 36.0 11.3 -27.1 62 57 A I E -e 41 0B 16 -22,-3.2 -20,-3.2 -2,-0.6 3,-0.1 -0.747 31.2-146.7-116.1 165.1 38.2 8.9 -29.1 63 58 A E S S+ 0 0 106 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.737 81.4 30.5 -93.9 -30.7 38.0 5.2 -30.0 64 59 A Q > - 0 0 106 1,-0.1 3,-2.6 -22,-0.0 4,-0.4 -0.991 68.6-128.5-141.2 141.2 41.8 4.3 -29.9 65 60 A I G > S+ 0 0 1 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.845 108.2 71.2 -58.4 -28.4 44.8 5.4 -28.0 66 61 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.739 90.1 59.8 -62.8 -21.4 46.5 5.7 -31.4 67 62 A E G < S+ 0 0 99 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.671 88.3 91.7 -75.0 -14.4 44.2 8.9 -32.0 68 63 A V S < S- 0 0 3 -3,-1.8 3,-0.1 -4,-0.4 6,-0.1 -0.675 75.3-132.3 -87.5 129.9 45.7 10.6 -28.9 69 64 A P > - 0 0 60 0, 0.0 3,-1.2 0, 0.0 -2,-0.1 -0.310 32.2 -92.2 -73.9 154.0 48.7 12.9 -29.4 70 65 A D T 3 S+ 0 0 102 1,-0.2 24,-0.2 24,-0.1 3,-0.1 -0.335 111.3 34.8 -59.8 147.3 51.8 12.6 -27.2 71 66 A G T 3 S+ 0 0 58 22,-2.6 -1,-0.2 1,-0.3 23,-0.2 0.212 95.0 129.9 90.5 -12.9 51.8 15.0 -24.1 72 67 A A < - 0 0 15 -3,-1.2 23,-2.8 21,-0.4 2,-0.5 -0.080 60.9-121.7 -76.2 168.3 48.0 14.6 -23.8 73 68 A I E - g 0 95B 22 -36,-0.4 -34,-3.1 21,-0.2 2,-0.3 -0.966 32.1-173.7-106.5 129.0 45.8 13.7 -20.9 74 69 A L E -fg 39 96B 0 21,-2.9 23,-2.2 -2,-0.5 2,-0.4 -0.938 9.9-156.8-126.7 141.2 43.7 10.6 -21.4 75 70 A I E -fg 40 97B 0 -36,-2.0 -34,-2.5 -2,-0.3 2,-0.3 -0.971 14.6-134.5-118.8 133.5 40.9 9.3 -19.2 76 71 A F E -fg 41 98B 3 21,-2.2 23,-1.9 -2,-0.4 -34,-0.1 -0.682 36.0-109.5 -81.4 144.3 39.7 5.6 -19.2 77 72 A S > - 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0 0 26 -2,-1.6 2,-0.6 -5,-0.3 -21,-0.2 -0.989 64.6-128.9-151.7 145.2 50.4 10.3 -21.7 95 90 A T E -g 73 0B 70 -23,-2.8 -21,-2.9 -2,-0.3 2,-0.4 -0.924 36.1-163.1 -95.4 125.3 49.0 11.3 -18.4 96 91 A V E -g 74 0B 49 -2,-0.6 2,-0.4 -23,-0.2 -21,-0.2 -0.944 15.9-176.3-113.4 134.8 46.2 8.8 -17.7 97 92 A F E -g 75 0B 15 -23,-2.2 -21,-2.2 -2,-0.4 2,-0.7 -0.971 21.7-139.0-123.7 143.2 43.5 9.1 -15.2 98 93 A D E +g 76 0B 37 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.860 22.8 178.9-116.3 118.5 41.3 6.2 -14.8 99 94 A A + 0 0 0 -23,-1.9 -76,-0.2 -2,-0.7 -1,-0.1 0.322 34.1 140.8 -97.9 1.7 37.5 6.6 -14.3 100 95 A T - 0 0 2 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.377 63.6-103.5 -41.1 123.7 36.9 2.9 -14.1 101 96 A C >> - 0 0 18 -23,-2.0 4,-2.4 1,-0.1 3,-1.5 -0.224 21.7-127.7 -40.2 131.1 34.1 2.3 -11.5 102 97 A P H 3> S+ 0 0 26 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.834 110.2 56.8 -58.6 -27.0 35.6 1.0 -8.4 103 98 A L H 34 S+ 0 0 49 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.647 108.2 46.2 -79.6 -20.2 33.1 -1.8 -8.5 104 99 A V H <> S+ 0 0 6 -3,-1.5 4,-3.0 2,-0.2 3,-0.4 0.795 107.5 55.4 -79.5 -46.9 34.2 -2.9 -11.9 105 100 A T H X S+ 0 0 46 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.886 104.3 59.0 -51.7 -40.5 37.9 -2.7 -10.9 106 101 A K H X S+ 0 0 97 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.900 108.2 42.1 -54.2 -46.0 36.8 -5.1 -8.1 107 102 A V H > S+ 0 0 4 -4,-0.5 4,-1.6 -3,-0.4 -1,-0.2 0.871 112.3 55.1 -72.1 -41.7 35.6 -7.6 -10.7 108 103 A H H X S+ 0 0 10 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.914 105.6 53.3 -52.3 -43.8 38.8 -7.0 -12.9 109 104 A M H X S+ 0 0 96 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.875 105.6 52.0 -68.4 -33.5 41.0 -7.8 -10.0 110 105 A E H X S+ 0 0 49 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.850 110.4 49.8 -70.6 -29.4 39.3 -11.2 -9.3 111 106 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.934 111.2 48.6 -72.5 -43.3 39.7 -12.2 -13.0 112 107 A A H X S+ 0 0 32 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.896 109.4 52.5 -62.6 -37.5 43.4 -11.3 -12.9 113 108 A R H X S+ 0 0 88 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.896 108.1 51.6 -70.7 -32.6 43.9 -13.2 -9.7 114 109 A A H ><>S+ 0 0 2 -4,-1.6 5,-1.6 2,-0.2 3,-0.7 0.920 107.6 52.5 -65.1 -43.3 42.3 -16.3 -11.3 115 110 A S H ><5S+ 0 0 4 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.911 104.4 56.0 -58.4 -43.9 44.7 -16.0 -14.3 116 111 A R H 3<5S+ 0 0 164 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.768 108.5 48.1 -60.6 -25.6 47.7 -15.9 -12.0 117 112 A R T <<5S- 0 0 119 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.329 111.6-115.8 -95.3 5.3 46.7 -19.2 -10.4 118 113 A G T < 5 + 0 0 30 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.581 67.4 147.3 69.0 8.1 46.0 -21.1 -13.7 119 114 A E < - 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0 0 6 -3,-2.0 2,-0.4 -7,-0.2 -26,-0.2 -0.457 55.2-142.0 -75.9 149.9 33.4 -23.4 -8.1 194 189 A V B +j 167 0C 64 -28,-2.0 -26,-2.3 -2,-0.1 -2,-0.1 -0.903 39.8 124.4-113.6 146.9 34.3 -20.3 -6.3 195 190 A G - 0 0 1 -2,-0.4 307,-0.2 -28,-0.2 -26,-0.1 -0.858 63.3 -50.5-166.1-164.3 32.8 -16.9 -6.7 196 191 A P - 0 0 11 0, 0.0 4,-0.1 0, 0.0 -28,-0.0 -0.312 58.7 -99.1 -82.2 164.3 31.1 -14.3 -4.5 197 192 A R S S- 0 0 38 2,-0.1 3,-0.1 304,-0.1 305,-0.0 0.902 108.8 -7.8 -43.2 -51.9 28.1 -15.2 -2.2 198 193 A K S S- 0 0 93 1,-0.4 2,-0.3 3,-0.1 -15,-0.0 0.652 114.2 -58.5-120.6 -74.5 25.6 -13.8 -4.7 199 194 A D - 0 0 23 2,-0.2 -1,-0.4 -4,-0.1 -2,-0.1 -0.903 39.1-102.1-159.1-172.9 26.9 -12.0 -7.7 200 195 A D + 0 0 13 -2,-0.3 2,-0.2 -29,-0.3 -93,-0.1 0.186 70.0 135.9-106.5 19.2 29.0 -9.0 -8.7 201 196 A I - 0 0 14 1,-0.1 -2,-0.2 -28,-0.1 -29,-0.2 -0.472 57.7-120.1 -58.4 126.5 25.9 -7.0 -9.5 202 197 A C > - 0 0 21 -30,-1.5 4,-2.4 -2,-0.2 5,-0.2 -0.283 15.8-111.1 -71.4 161.6 26.5 -3.5 -8.0 203 198 A Y H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.878 115.5 55.2 -61.4 -38.3 24.3 -2.0 -5.4 204 199 A A H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.923 109.6 46.2 -64.8 -42.8 23.0 0.7 -7.9 205 200 A T H > S+ 0 0 5 -33,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.958 113.5 47.6 -58.5 -55.6 21.9 -1.9 -10.3 206 201 A T H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.884 115.7 46.4 -53.0 -44.4 20.2 -4.0 -7.7 207 202 A N H X S+ 0 0 15 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.925 109.8 51.4 -69.4 -41.8 18.4 -0.9 -6.2 208 203 A R H X S+ 0 0 2 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.888 110.9 49.6 -67.6 -34.2 17.2 0.5 -9.4 209 204 A Q H X S+ 0 0 7 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.940 110.5 49.0 -64.7 -49.6 15.7 -2.9 -10.4 210 205 A E H X S+ 0 0 78 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.915 113.9 48.0 -50.3 -50.3 13.9 -3.2 -7.1 211 206 A A H X S+ 0 0 6 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.880 109.4 50.9 -57.5 -44.5 12.6 0.4 -7.5 212 207 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.880 109.2 53.6 -66.0 -28.7 11.4 -0.2 -11.1 213 208 A R H X S+ 0 0 86 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.958 110.7 44.2 -69.0 -51.8 9.6 -3.3 -9.9 214 209 A A H < S+ 0 0 38 -4,-2.3 4,-0.5 1,-0.2 3,-0.4 0.886 116.3 49.5 -53.4 -45.8 7.8 -1.3 -7.2 215 210 A L H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-1.6 0.927 108.2 52.4 -57.1 -46.3 7.1 1.4 -9.8 216 211 A A H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.626 98.5 62.9 -78.9 -12.3 5.8 -1.0 -12.3 217 212 A E T 3< S+ 0 0 134 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.655 114.7 34.9 -77.3 -14.0 3.3 -2.6 -10.0 218 213 A Q T <4 S+ 0 0 95 -3,-1.6 2,-0.3 -4,-0.5 -2,-0.2 0.776 108.9 66.2-108.2 -36.5 1.6 0.9 -9.8 219 214 A A < - 0 0 0 -4,-2.3 48,-0.2 1,-0.1 3,-0.1 -0.632 58.9-151.3 -97.3 149.4 2.0 2.4 -13.2 220 215 A E S S+ 0 0 83 46,-2.0 26,-1.3 -2,-0.3 2,-0.4 0.829 89.2 30.4 -78.3 -38.5 0.5 1.4 -16.6 221 216 A V E S-cd 246 267A 4 45,-1.2 47,-3.1 24,-0.2 2,-0.4 -0.977 71.3-157.0-126.5 140.2 3.4 2.8 -18.6 222 217 A V E -cd 247 268A 0 24,-2.3 26,-2.3 -2,-0.4 2,-0.5 -0.986 0.6-162.3-121.0 129.2 7.1 3.2 -17.6 223 218 A L E -cd 248 269A 0 45,-2.0 47,-2.8 -2,-0.4 2,-0.6 -0.922 5.1-165.1-105.7 130.9 9.6 5.6 -19.0 224 219 A V E -cd 249 270A 0 24,-2.8 26,-2.9 -2,-0.5 2,-0.6 -0.978 13.4-143.7-118.4 118.1 13.2 4.9 -18.5 225 220 A V E +cd 250 271A 0 45,-2.2 47,-2.3 -2,-0.6 2,-0.2 -0.697 54.4 95.7 -79.0 120.9 15.5 7.7 -19.2 226 221 A G S S- 0 0 0 24,-2.1 -179,-0.1 -2,-0.6 26,-0.1 -0.854 70.5 -83.0 171.8 166.7 18.8 6.5 -20.7 227 222 A S > - 0 0 4 -181,-0.9 3,-1.7 -2,-0.2 7,-0.1 -0.328 41.4-108.2 -86.4 163.0 20.6 5.9 -24.1 228 223 A K T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -2,-0.1 6,-0.1 0.789 117.1 53.4 -67.8 -25.3 20.1 2.9 -26.3 229 224 A N T 3 S+ 0 0 76 -183,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.222 79.6 106.4 -93.4 13.9 23.6 1.6 -25.5 230 225 A S <> - 0 0 2 -3,-1.7 4,-2.1 1,-0.2 5,-0.1 -0.886 51.4-167.1 -90.6 110.3 23.2 1.7 -21.7 231 226 A S H > S+ 0 0 20 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.893 86.8 51.1 -67.4 -41.6 22.8 -1.9 -20.6 232 227 A N H > S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.918 111.3 49.1 -62.6 -41.2 21.6 -1.1 -17.0 233 228 A S H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.921 109.8 51.4 -60.6 -46.0 19.0 1.3 -18.5 234 229 A N H X S+ 0 0 56 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.839 104.3 58.2 -57.5 -35.5 17.9 -1.4 -20.9 235 230 A R H X S+ 0 0 31 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.825 105.5 50.6 -67.5 -34.8 17.5 -3.8 -17.9 236 231 A L H X S+ 0 0 2 -4,-1.4 4,-1.5 -3,-0.3 -1,-0.2 0.845 110.4 46.9 -61.8 -39.4 15.1 -1.5 -16.3 237 232 A A H X S+ 0 0 4 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.914 113.1 50.4 -68.7 -44.1 12.9 -1.1 -19.4 238 233 A E H X S+ 0 0 41 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.806 105.1 56.7 -62.4 -39.6 12.9 -4.9 -19.9 239 234 A L H < S+ 0 0 13 -4,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.963 110.3 44.0 -62.4 -47.3 11.9 -5.5 -16.2 240 235 A A H ><>S+ 0 0 0 -4,-1.5 5,-1.7 1,-0.2 3,-0.8 0.872 113.4 51.0 -62.0 -43.1 8.8 -3.4 -16.6 241 236 A Q H ><5S+ 0 0 102 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.861 106.6 54.4 -62.6 -38.9 8.0 -5.0 -20.0 242 237 A R T 3<5S+ 0 0 138 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.556 102.6 58.4 -72.5 -10.4 8.4 -8.4 -18.4 243 238 A M T < 5S- 0 0 62 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.175 125.2-105.8 -98.7 13.5 5.8 -7.3 -15.9 244 239 A G T < 5S+ 0 0 66 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.626 79.5 125.2 79.9 23.0 3.4 -6.7 -18.8 245 240 A K S S- 0 0 35 -26,-0.1 3,-2.1 30,-0.1 4,-0.3 -0.959 78.4 -74.8-173.4 179.4 14.9 12.7 -23.4 253 248 A A G > S+ 0 0 17 1,-0.3 3,-1.4 -2,-0.3 -1,-0.0 0.763 117.0 66.7 -64.6 -27.6 11.6 14.4 -23.3 254 249 A K G 3 S+ 0 0 170 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.701 91.2 62.6 -66.5 -25.6 11.5 14.8 -27.0 255 250 A D G < S+ 0 0 48 -3,-2.1 -1,-0.3 2,-0.1 2,-0.2 0.524 77.8 111.6 -71.2 -12.9 11.3 11.0 -27.6 256 251 A I < - 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