==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-MAY-06 2H4L . COMPND 2 MOLECULE: PHOSPHOMANNOMUTASE/PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.J.BEAMER . 455 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 28 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 0 0 1 1 1 2 1 2 1 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 2 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 PARALLEL BRIDGES PER LADDER . 3 3 2 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 1 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 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 9 X L 0 0 57 0, 0.0 18,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 135.9 -50.4 7.5 9.3 2 10 X P > - 0 0 52 0, 0.0 3,-0.7 0, 0.0 4,-0.2 -0.397 360.0-138.1 -62.6 141.2 -49.5 6.3 12.9 3 11 X A G > S+ 0 0 57 1,-0.2 3,-0.7 2,-0.1 124,-0.1 0.593 93.0 73.3 -79.4 -12.5 -46.2 4.4 12.9 4 12 X S G 3 S+ 0 0 98 1,-0.2 -1,-0.2 7,-0.0 8,-0.1 0.713 84.4 65.1 -76.3 -25.3 -47.5 1.6 15.3 5 13 X I G < S+ 0 0 0 -3,-0.7 7,-2.3 13,-0.1 2,-1.2 0.703 82.6 87.6 -68.0 -18.7 -49.7 -0.0 12.6 6 14 X F B < +A 11 0A 9 -3,-0.7 5,-0.2 5,-0.2 2,-0.1 -0.681 68.3 177.4 -88.3 94.8 -46.4 -0.9 10.7 7 15 X R - 0 0 17 3,-1.8 116,-0.1 -2,-1.2 410,-0.1 -0.429 42.7-101.0-102.8 168.9 -45.5 -4.2 12.3 8 16 X A S S+ 0 0 15 408,-0.5 112,-2.9 1,-0.2 115,-0.2 0.854 119.0 25.6 -54.5 -44.3 -42.8 -6.8 11.8 9 17 X Y S S- 0 0 16 407,-0.4 2,-0.2 110,-0.2 -1,-0.2 0.759 132.1 -38.4 -94.0 -29.3 -44.9 -9.3 9.7 10 18 X D S S- 0 0 1 100,-0.1 -3,-1.8 -5,-0.1 2,-0.5 -0.902 74.9 -59.7-172.9-170.5 -47.5 -7.0 8.2 11 19 X I E -AB 6 109A 1 98,-2.4 98,-2.5 -2,-0.2 2,-0.4 -0.896 46.0-178.8-102.8 129.2 -49.7 -3.9 8.7 12 20 X R E + B 0 108A 43 -7,-2.3 96,-0.3 -2,-0.5 2,-0.2 -0.960 9.4 162.2-133.8 114.1 -52.3 -4.1 11.6 13 21 X G E - B 0 107A 2 94,-2.9 94,-1.6 -2,-0.4 2,-0.5 -0.685 39.1-123.0-123.5 176.4 -54.8 -1.4 12.5 14 22 X V E > > - B 0 106A 35 92,-0.2 5,-1.9 -2,-0.2 3,-0.6 -0.985 39.7-122.8-118.1 115.8 -58.0 -0.5 14.3 15 23 X V B 3 5S+h 19 0B 30 90,-2.6 5,-0.2 -2,-0.5 2,-0.2 -0.367 95.7 15.4 -64.4 128.4 -60.5 1.0 11.9 16 24 X G T 3 5S+ 0 0 64 3,-3.0 -1,-0.2 1,-0.3 4,-0.1 -0.328 132.5 49.0 101.1 -48.6 -61.6 4.5 13.0 17 25 X D T < 5S- 0 0 122 -3,-0.6 -1,-0.3 -2,-0.2 -2,-0.1 0.813 132.3 -1.6 -79.8 -98.5 -58.8 4.7 15.5 18 26 X T T 5S+ 0 0 33 -4,-0.2 2,-0.4 -3,-0.1 -3,-0.2 0.430 129.6 52.7 -83.4 0.8 -55.4 3.8 13.9 19 27 X L B < +h 15 0B 0 -5,-1.9 -3,-3.0 -18,-0.1 2,-0.2 -0.987 60.3 168.2-141.7 127.6 -56.7 3.0 10.4 20 28 X T > - 0 0 57 -2,-0.4 4,-1.5 -5,-0.2 5,-0.1 -0.753 49.8 -99.2-126.6 172.8 -58.9 5.1 8.1 21 29 X A H > S+ 0 0 27 -2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.942 121.4 53.9 -57.0 -49.3 -60.0 5.0 4.4 22 30 X E H > S+ 0 0 131 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.861 106.9 49.1 -54.1 -45.0 -57.4 7.6 3.5 23 31 X T H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.854 107.1 56.0 -67.8 -33.8 -54.4 5.7 5.0 24 32 X A H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.839 106.8 51.2 -64.9 -32.3 -55.6 2.5 3.2 25 33 X Y H X S+ 0 0 31 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.949 111.8 45.7 -63.7 -50.4 -55.3 4.6 -0.0 26 34 X W H X S+ 0 0 69 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.811 110.4 52.7 -67.1 -34.2 -51.8 5.7 0.9 27 35 X I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.886 109.3 51.6 -63.9 -39.9 -50.8 2.2 1.8 28 36 X G H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.891 109.0 50.2 -59.9 -42.9 -52.1 1.2 -1.6 29 37 X R H X S+ 0 0 26 -4,-2.1 4,-1.9 1,-0.2 107,-0.4 0.890 111.6 48.1 -61.7 -43.2 -49.9 3.9 -3.2 30 38 X A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.869 110.8 50.0 -66.4 -39.7 -46.8 2.7 -1.4 31 39 X I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.858 110.1 49.9 -70.4 -38.3 -47.4 -0.9 -2.3 32 40 X G H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.917 110.0 52.2 -63.3 -42.2 -47.8 -0.1 -6.0 33 41 X S H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.893 110.8 46.1 -63.8 -41.1 -44.6 1.9 -5.9 34 42 X E H X S+ 0 0 35 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.923 112.3 51.4 -66.1 -43.6 -42.6 -1.0 -4.4 35 43 X S H <>S+ 0 0 0 -4,-2.4 5,-3.1 2,-0.2 3,-0.4 0.932 112.8 45.1 -57.6 -46.7 -44.1 -3.4 -6.9 36 44 X L H ><5S+ 0 0 61 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.876 108.3 57.2 -66.3 -38.6 -43.2 -1.1 -9.8 37 45 X A H 3<5S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.777 109.6 46.4 -60.9 -27.3 -39.7 -0.6 -8.3 38 46 X R T 3<5S- 0 0 80 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.297 125.7-102.6 -96.9 8.5 -39.3 -4.4 -8.4 39 47 X G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.609 83.8 123.1 83.6 16.5 -40.6 -4.6 -12.0 40 48 X E < + 0 0 29 -5,-3.1 -2,-0.1 -6,-0.2 -1,-0.1 -0.851 25.6 167.4-114.7 98.0 -44.1 -5.9 -11.2 41 49 X P + 0 0 43 0, 0.0 29,-3.0 0, 0.0 2,-0.6 0.637 59.5 84.5 -82.1 -8.4 -47.0 -3.8 -12.4 42 50 X C E +c 70 0A 21 27,-0.2 51,-1.0 -7,-0.1 2,-0.4 -0.834 53.5 173.8-104.1 121.5 -49.6 -6.5 -11.7 43 51 X V E -cd 71 93A 1 27,-1.7 29,-2.9 -2,-0.6 2,-0.3 -0.979 21.3-146.0-128.3 131.0 -51.1 -6.8 -8.2 44 52 X A E -cd 72 94A 4 49,-2.1 51,-2.4 -2,-0.4 2,-0.4 -0.701 17.7-160.7 -89.3 147.3 -53.9 -9.1 -6.9 45 53 X V E +cd 73 95A 0 27,-2.4 29,-2.0 -2,-0.3 30,-0.7 -0.983 14.5 167.9-135.9 124.6 -56.2 -7.7 -4.2 46 54 X G E -cd 75 96A 0 49,-2.0 51,-3.1 -2,-0.4 2,-0.3 -0.876 12.9-161.1-130.1 163.4 -58.4 -9.6 -1.8 47 55 X R E -cd 76 97A 52 28,-1.9 30,-2.2 -2,-0.3 51,-0.2 -0.970 15.1-128.0-142.2 153.0 -60.4 -8.8 1.4 48 56 X D - 0 0 2 49,-2.0 188,-0.1 -2,-0.3 152,-0.1 -0.137 43.9 -83.5 -89.2-169.2 -61.9 -10.9 4.2 49 57 X G S S+ 0 0 14 186,-0.3 151,-0.3 4,-0.1 2,-0.1 -0.005 78.9 133.6 -91.5 30.2 -65.5 -10.8 5.5 50 58 X R > - 0 0 6 1,-0.1 3,-1.0 149,-0.1 151,-0.1 -0.404 66.1-119.1 -76.2 157.0 -64.9 -7.8 7.9 51 59 X L T 3 S+ 0 0 102 149,-0.4 4,-0.3 53,-0.3 -1,-0.1 0.837 114.8 49.0 -64.8 -36.7 -67.4 -4.9 8.0 52 60 X S T 3> S+ 0 0 14 52,-0.3 4,-2.4 54,-0.2 5,-0.3 0.444 86.7 96.4 -83.4 -1.4 -64.8 -2.4 7.0 53 61 X G H <> S+ 0 0 0 -3,-1.0 4,-2.2 1,-0.2 5,-0.2 0.920 82.2 45.4 -53.8 -56.9 -63.7 -4.6 4.0 54 62 X P H > S+ 0 0 71 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.829 115.9 48.6 -58.7 -35.1 -65.8 -3.0 1.2 55 63 X E H > S+ 0 0 112 -4,-0.3 4,-0.7 1,-0.1 3,-0.2 0.931 117.3 37.0 -70.3 -49.4 -64.8 0.6 2.4 56 64 X L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -3,-0.2 0.791 108.0 62.7 -80.5 -27.9 -61.1 0.1 2.7 57 65 X V H X S+ 0 0 14 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.792 99.9 53.4 -71.7 -29.2 -60.5 -2.2 -0.3 58 66 X K H X S+ 0 0 50 -4,-0.7 4,-2.4 -3,-0.2 -1,-0.2 0.833 111.4 48.3 -71.0 -31.7 -61.7 0.4 -2.9 59 67 X Q H X S+ 0 0 65 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.901 112.0 47.9 -70.4 -45.7 -59.2 2.8 -1.3 60 68 X L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.934 113.7 47.5 -58.3 -50.4 -56.4 0.1 -1.5 61 69 X I H X S+ 0 0 16 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.943 111.3 51.4 -55.6 -49.3 -57.4 -0.6 -5.1 62 70 X Q H X S+ 0 0 89 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.846 107.9 52.6 -59.2 -40.0 -57.4 3.2 -5.9 63 71 X G H < S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.935 113.1 43.3 -58.9 -49.7 -53.9 3.6 -4.4 64 72 X L H ><>S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 5,-1.5 0.930 113.1 52.1 -62.2 -47.6 -52.5 0.8 -6.5 65 73 X V H ><5S+ 0 0 19 -4,-3.0 75,-2.5 1,-0.3 3,-1.3 0.852 101.7 61.9 -55.2 -38.1 -54.3 2.1 -9.6 66 74 X D T 3<5S+ 0 0 48 -4,-1.9 72,-1.6 1,-0.3 -1,-0.3 0.466 98.8 56.5 -73.8 -2.2 -52.9 5.5 -9.0 67 75 X C B < 5S-i 138 0C 5 -3,-1.8 70,-0.3 70,-0.3 -1,-0.3 0.606 124.2-100.4 -95.0 -17.1 -49.4 4.1 -9.5 68 76 X G T < 5S+ 0 0 24 -3,-1.3 -3,-0.2 70,-0.5 71,-0.2 0.453 73.2 153.2 102.3 7.5 -50.1 2.7 -13.0 69 77 X C < - 0 0 0 -5,-1.5 72,-2.1 69,-0.1 2,-0.8 -0.384 48.2-129.3 -71.1 147.4 -50.6 -0.8 -11.6 70 78 X Q E -ce 42 141A 100 -29,-3.0 -27,-1.7 70,-0.2 2,-0.4 -0.875 32.1-156.0 -98.1 105.7 -52.8 -3.4 -13.2 71 79 X V E -ce 43 142A 1 70,-3.7 72,-3.0 -2,-0.8 2,-0.7 -0.694 13.4-156.6 -94.3 131.3 -55.0 -4.6 -10.4 72 80 X S E -ce 44 143A 28 -29,-2.9 -27,-2.4 -2,-0.4 2,-0.9 -0.932 15.4-152.0-104.2 108.5 -56.7 -8.0 -10.3 73 81 X D E +ce 45 144A 25 70,-3.0 72,-2.2 -2,-0.7 -27,-0.2 -0.705 20.7 174.4 -88.4 102.5 -59.7 -7.7 -8.0 74 82 X V E - 0 0 12 -29,-2.0 73,-0.2 -2,-0.9 74,-0.2 0.532 29.5-150.3 -86.6 -2.1 -60.4 -11.1 -6.4 75 83 X G E -c 46 0A 23 -30,-0.7 -28,-1.9 71,-0.1 2,-0.7 -0.477 57.4 -0.2 76.0-142.2 -63.2 -9.8 -4.1 76 84 X M E S+c 47 0A 68 -30,-0.2 -28,-0.2 -2,-0.2 -27,-0.1 -0.777 83.4 144.7 -91.0 114.8 -63.9 -11.5 -0.7 77 85 X V - 0 0 4 -30,-2.2 99,-0.1 -2,-0.7 98,-0.1 -0.962 53.6 -90.7-144.4 154.7 -61.5 -14.5 -0.2 78 86 X P >> - 0 0 0 0, 0.0 4,-1.3 0, 0.0 3,-0.7 -0.356 48.5-108.0 -56.3 151.9 -59.6 -16.3 2.5 79 87 X T H >> S+ 0 0 0 157,-3.2 4,-1.9 1,-0.2 3,-0.8 0.923 119.3 53.4 -49.4 -52.6 -56.0 -15.0 3.0 80 88 X P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.764 101.9 59.6 -59.4 -27.8 -54.4 -18.1 1.3 81 89 X V H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.855 104.2 50.4 -67.8 -35.5 -56.7 -17.6 -1.7 82 90 X L H X S+ 0 0 9 -4,-2.6 3,-1.8 1,-0.2 4,-1.5 0.939 106.8 52.1 -53.5 -51.3 -52.8 -18.4 -4.5 85 93 X A H >X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 3,-1.0 0.957 104.5 54.9 -48.2 -57.3 -53.8 -15.5 -6.9 86 94 X A H 3< S+ 0 0 6 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.294 113.5 45.4 -66.1 14.1 -50.3 -13.9 -6.6 87 95 X N H <4 S+ 0 0 55 -3,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.572 120.5 32.4-120.7 -29.4 -48.9 -17.3 -7.7 88 96 X V H << S+ 0 0 59 -4,-1.5 -2,-0.2 -3,-1.0 -3,-0.2 0.607 105.3 72.8-111.5 -19.3 -51.2 -18.3 -10.6 89 97 X L S < S- 0 0 44 -4,-2.5 -45,-0.0 2,-0.3 -47,-0.0 -0.184 100.4 -86.3 -85.9-176.5 -52.1 -15.0 -12.2 90 98 X E S S+ 0 0 90 -2,-0.1 2,-0.1 -47,-0.0 -48,-0.1 0.940 106.7 60.0 -57.2 -50.7 -49.9 -12.7 -14.3 91 99 X G - 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