==== 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 STRUCTURAL PROTEIN/RNA 29-JUL-04 1U6B . COMPND 2 MOLECULE: 197-MER; . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.L.ADAMS,M.R.STAHLEY,A.B.KOSEK,J.WANG,S.A.STROBEL . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 1 1.1 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 . 1 1.1 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 . 9 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 20.0 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+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 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 3 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 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 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 4 A P 0 0 148 0, 0.0 2,-0.3 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 -81.1 -15.8 73.4 82.8 2 5 A E - 0 0 120 80,-0.1 80,-0.1 3,-0.0 2,-0.1 -0.990 360.0-172.3-155.8 149.9 -16.5 77.1 83.4 3 6 A T - 0 0 31 -2,-0.3 81,-0.1 3,-0.0 82,-0.1 0.104 49.2 -61.2-110.4-135.2 -15.1 80.1 85.2 4 7 A R - 0 0 186 80,-0.2 78,-0.0 79,-0.1 80,-0.0 -0.993 67.1 -80.7-126.7 131.4 -16.6 83.6 85.7 5 8 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 4,-0.1 0.222 55.8 160.1 -37.2 135.3 -17.5 85.9 82.8 6 9 A N - 0 0 17 2,-0.1 78,-0.2 53,-0.1 52,-0.1 -0.977 48.7-117.1-156.5 147.8 -14.8 88.0 81.1 7 10 A H S S+ 0 0 35 -2,-0.3 49,-1.2 76,-0.1 2,-0.3 0.837 100.5 56.9 -52.8 -41.0 -14.4 89.8 77.7 8 11 A T E S-A 55 0A 0 47,-0.2 76,-1.7 76,-0.1 2,-0.4 -0.662 75.7-147.5 -95.6 150.8 -11.4 87.6 76.8 9 12 A I E -AB 54 83A 0 45,-1.6 45,-1.6 -2,-0.3 2,-0.7 -0.974 9.9-133.4-125.2 133.9 -11.6 83.8 76.6 10 13 A Y E -AB 53 82A 58 72,-2.0 72,-2.3 -2,-0.4 2,-0.5 -0.742 24.5-172.3 -87.5 111.7 -8.8 81.2 77.3 11 14 A I E +AB 52 81A 0 41,-2.6 41,-2.7 -2,-0.7 70,-0.2 -0.917 13.6 159.8-106.6 127.5 -8.6 78.6 74.6 12 15 A N E + B 0 80A 16 68,-2.9 68,-1.4 -2,-0.5 39,-0.2 -0.648 44.0 60.8-131.3-169.4 -6.3 75.6 75.0 13 16 A N S S+ 0 0 61 37,-0.3 38,-0.1 -2,-0.2 -1,-0.1 0.738 74.6 151.7 53.8 26.8 -5.8 72.0 73.8 14 17 A L - 0 0 0 36,-1.7 2,-0.7 -3,-0.1 -1,-0.2 -0.245 61.4 -78.5 -74.0 168.4 -5.2 73.6 70.3 15 18 A N > - 0 0 24 1,-0.2 3,-0.6 62,-0.1 35,-0.2 -0.649 40.5-159.9 -72.0 112.8 -3.0 72.0 67.7 16 19 A E T 3 S+ 0 0 93 -2,-0.7 -1,-0.2 1,-0.2 34,-0.1 0.692 82.0 66.1 -68.9 -20.8 0.5 72.9 68.8 17 20 A K T 3 S+ 0 0 153 32,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.828 76.4 96.7 -74.2 -35.8 2.0 72.4 65.3 18 21 A I S < S- 0 0 26 -3,-0.6 32,-0.2 1,-0.1 -4,-0.0 -0.285 82.5-105.0 -61.5 139.8 0.2 75.2 63.5 19 22 A K > - 0 0 141 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.213 22.7-114.3 -69.8 155.9 2.3 78.4 63.2 20 23 A K H > S+ 0 0 99 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.923 113.1 40.0 -53.7 -58.4 1.7 81.6 65.2 21 24 A D H > S+ 0 0 119 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.747 115.6 53.6 -68.2 -26.4 0.5 84.0 62.5 22 25 A E H > S+ 0 0 96 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.877 103.3 54.0 -75.9 -41.5 -1.5 81.3 60.8 23 26 A L H < S+ 0 0 7 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.814 101.0 60.8 -64.3 -33.2 -3.6 80.3 63.8 24 27 A K H X S+ 0 0 61 -4,-1.1 4,-3.0 1,-0.2 3,-0.4 0.834 103.2 51.2 -63.0 -35.3 -4.7 83.9 64.4 25 28 A K H X S+ 0 0 158 -4,-0.6 4,-1.4 -3,-0.5 5,-0.3 0.893 108.4 51.0 -66.8 -42.1 -6.4 83.8 60.9 26 29 A S H < S+ 0 0 18 -4,-1.4 -1,-0.2 1,-0.2 4,-0.2 0.536 118.2 41.1 -72.0 -8.0 -8.2 80.6 61.8 27 30 A L H > S+ 0 0 0 -4,-0.4 4,-2.0 -3,-0.4 -2,-0.2 0.814 109.3 51.6-105.1 -49.0 -9.3 82.4 65.0 28 31 A H H < S+ 0 0 100 -4,-3.0 4,-0.4 1,-0.2 -3,-0.2 0.855 118.8 40.0 -58.9 -37.8 -10.3 85.9 64.0 29 32 A A T >< S+ 0 0 58 -4,-1.4 3,-1.0 -5,-0.2 4,-0.4 0.954 115.2 47.9 -74.9 -54.0 -12.5 84.6 61.3 30 33 A I T 34 S+ 0 0 59 -5,-0.3 3,-0.2 1,-0.2 -2,-0.2 0.747 117.1 42.2 -64.3 -27.1 -14.1 81.6 63.0 31 34 A F T 3< S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.464 93.4 80.0-101.0 -4.2 -15.0 83.5 66.2 32 35 A S X + 0 0 55 -3,-1.0 3,-1.0 -4,-0.4 -1,-0.2 0.668 68.1 86.9 -77.1 -16.7 -16.3 86.8 64.5 33 36 A R T 3 S+ 0 0 156 -4,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.148 90.7 50.4 -71.3 23.7 -19.7 85.2 63.7 34 37 A F T 3 S- 0 0 31 1,-0.5 2,-0.3 -3,-0.4 -1,-0.2 0.531 124.7 -61.1-127.9 -29.9 -20.8 86.3 67.2 35 38 A G S < S- 0 0 27 -3,-1.0 -1,-0.5 -4,-0.3 2,-0.1 -0.973 80.1 -23.4 168.2-167.4 -19.7 89.9 67.2 36 39 A Q - 0 0 99 -2,-0.3 21,-2.0 -3,-0.1 22,-0.4 -0.406 55.7-147.1 -70.0 142.8 -16.8 92.3 66.9 37 40 A I E -C 56 0A 17 19,-0.2 19,-0.3 1,-0.1 3,-0.1 -0.925 13.2-172.1-116.3 136.2 -13.3 91.0 67.7 38 41 A L E - 0 0 64 17,-3.1 2,-0.2 -2,-0.4 -1,-0.1 0.599 54.9 -26.4 -87.3-116.6 -10.4 92.9 69.2 39 42 A D E - 0 0 81 17,-0.1 16,-2.5 2,-0.0 2,-0.4 -0.599 47.1-145.5-104.4 162.5 -6.9 91.3 69.5 40 43 A I E -C 54 0A 8 14,-0.2 2,-0.6 -2,-0.2 14,-0.2 -0.973 9.7-155.3-131.0 118.5 -5.7 87.6 69.6 41 44 A L E +C 53 0A 96 12,-2.0 12,-2.3 -2,-0.4 2,-0.4 -0.825 19.5 167.4 -96.6 119.5 -2.6 86.6 71.6 42 45 A V E +C 52 0A 9 -2,-0.6 2,-0.3 10,-0.2 10,-0.1 -0.987 6.5 179.5-132.7 124.2 -0.8 83.5 70.6 43 46 A S - 0 0 48 5,-0.6 8,-0.4 8,-0.6 7,-0.3 -0.827 22.6-153.1-116.2 161.4 2.6 82.4 71.8 44 47 A R + 0 0 91 -2,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.352 51.6 129.6-113.4 1.4 4.6 79.3 70.9 45 48 A S S > S- 0 0 50 1,-0.1 4,-2.2 3,-0.1 -2,-0.1 -0.125 77.8-102.5 -57.8 153.4 6.7 79.1 74.2 46 49 A L T 4 S+ 0 0 143 1,-0.2 -1,-0.1 2,-0.2 -3,-0.0 0.777 126.2 40.1 -46.9 -31.1 6.8 75.8 76.1 47 50 A K T 4 S+ 0 0 156 1,-0.1 -1,-0.2 4,-0.0 -2,-0.0 0.865 122.6 37.0 -85.6 -41.0 4.3 77.4 78.5 48 51 A M T >4 S+ 0 0 66 2,-0.0 3,-1.1 -6,-0.0 -5,-0.6 0.362 84.2 118.0-101.3 4.4 2.0 79.2 76.0 49 52 A R T 3< S+ 0 0 97 -4,-2.2 -5,-0.2 1,-0.2 -33,-0.1 -0.498 78.5 21.4 -75.2 141.5 1.9 76.7 73.1 50 53 A G T 3 S+ 0 0 11 -7,-0.3 -36,-1.7 1,-0.3 2,-0.3 0.673 108.9 101.7 74.8 19.0 -1.5 75.2 72.2 51 54 A Q < + 0 0 36 -3,-1.1 -8,-0.6 -8,-0.4 2,-0.3 -0.990 45.2 176.8-136.5 142.8 -3.1 78.2 74.0 52 55 A A E -AC 11 42A 0 -41,-2.7 -41,-2.6 -2,-0.3 2,-0.5 -0.995 20.4-144.9-149.9 140.5 -4.7 81.4 72.7 53 56 A F E -AC 10 41A 65 -12,-2.3 -12,-2.0 -2,-0.3 2,-0.6 -0.926 15.3-165.8-107.5 121.1 -6.5 84.4 74.1 54 57 A V E -AC 9 40A 0 -45,-1.6 -45,-1.6 -2,-0.5 2,-0.5 -0.937 6.7-154.7-110.7 119.0 -9.3 85.9 72.0 55 58 A I E -A 8 0A 1 -16,-2.5 -17,-3.1 -2,-0.6 2,-0.3 -0.819 9.3-166.8 -97.7 125.6 -10.6 89.4 72.9 56 59 A F E - C 0 37A 0 -49,-1.2 -19,-0.2 -2,-0.5 -17,-0.1 -0.708 29.5-124.4-103.6 159.2 -14.2 90.4 72.1 57 60 A K S S+ 0 0 106 -21,-2.0 2,-0.3 -2,-0.3 -20,-0.1 0.843 93.4 14.1 -67.8 -35.4 -15.7 93.9 72.1 58 61 A E S >> S- 0 0 119 -22,-0.4 4,-0.9 -51,-0.1 3,-0.7 -0.936 73.9-113.8-140.8 161.2 -18.5 92.7 74.5 59 62 A V H 3> S+ 0 0 57 -2,-0.3 4,-4.0 1,-0.2 5,-0.3 0.794 112.7 67.6 -60.9 -31.0 -19.5 89.8 76.7 60 63 A S H 3> S+ 0 0 73 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.856 101.6 44.8 -58.4 -40.5 -22.3 89.1 74.2 61 64 A S H <> S+ 0 0 5 -3,-0.7 4,-0.6 2,-0.1 -1,-0.2 0.743 120.1 44.0 -73.0 -25.1 -19.8 88.0 71.6 62 65 A A H X S+ 0 0 0 -4,-0.9 4,-2.8 2,-0.2 -2,-0.2 0.900 108.1 52.4 -87.2 -48.4 -18.0 86.0 74.2 63 66 A T H X S+ 0 0 47 -4,-4.0 4,-1.2 1,-0.2 -3,-0.2 0.900 113.3 45.1 -58.1 -46.2 -20.8 84.2 76.1 64 67 A N H X S+ 0 0 86 -4,-1.1 4,-3.2 -5,-0.3 5,-0.3 0.881 112.4 53.4 -64.3 -40.9 -22.3 82.9 72.9 65 68 A A H X S+ 0 0 0 -4,-0.6 4,-2.3 1,-0.2 5,-0.3 0.976 104.2 53.8 -57.0 -58.6 -18.9 81.8 71.6 66 69 A L H < S+ 0 0 16 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.804 119.5 35.2 -47.4 -37.1 -18.0 79.8 74.8 67 70 A R H < S+ 0 0 203 -4,-1.2 3,-0.5 -5,-0.2 -1,-0.2 0.933 120.9 42.7 -85.5 -52.4 -21.3 77.8 74.4 68 71 A S H < S+ 0 0 58 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.595 124.6 39.0 -71.6 -10.5 -21.6 77.5 70.6 69 72 A M S >< S+ 0 0 4 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 0.461 79.7 123.5-118.8 -6.9 -17.9 76.8 70.2 70 73 A Q T 3 S+ 0 0 79 -3,-0.5 10,-0.2 -4,-0.5 9,-0.1 -0.416 90.2 3.1 -62.1 124.5 -17.1 74.5 73.2 71 74 A G T 3 S+ 0 0 36 8,-1.9 -1,-0.3 1,-0.2 8,-0.2 0.263 86.3 161.5 84.1 -11.1 -15.6 71.3 72.0 72 75 A F < - 0 0 75 -3,-1.6 7,-0.9 7,-0.2 2,-0.6 -0.214 49.1-114.1 -48.4 110.5 -15.7 72.5 68.4 73 76 A P E -D 78 0B 98 0, 0.0 2,-0.6 0, 0.0 3,-0.2 -0.320 39.2-174.9 -60.5 103.0 -13.2 70.1 66.7 74 77 A F E > -D 77 0B 15 3,-2.8 3,-0.9 -2,-0.6 -59,-0.1 -0.908 69.2 -21.9-105.2 118.7 -10.3 72.3 65.6 75 78 A Y T 3 S- 0 0 83 -2,-0.6 -1,-0.2 1,-0.3 0, 0.0 0.904 128.7 -49.0 45.9 53.3 -7.5 70.6 63.6 76 79 A D T 3 S+ 0 0 166 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.0 0.727 120.2 110.6 62.5 26.8 -8.6 67.1 64.9 77 80 A K E < S-D 74 0B 46 -3,-0.9 -3,-2.8 -5,-0.1 2,-1.8 -0.996 76.8-117.5-135.9 135.1 -8.6 68.5 68.5 78 81 A P E -D 73 0B 77 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.509 37.1-138.9 -71.9 84.3 -11.4 69.1 71.0 79 82 A M - 0 0 0 -2,-1.8 -8,-1.9 -7,-0.9 2,-0.5 -0.234 17.8-154.6 -49.6 107.5 -10.9 72.9 71.4 80 83 A R E -B 12 0A 125 -68,-1.4 -68,-2.9 -2,-0.2 2,-0.4 -0.792 11.6-169.0 -94.6 126.3 -11.3 73.6 75.1 81 84 A I E +B 11 0A 4 -2,-0.5 2,-0.3 -70,-0.2 -70,-0.2 -0.893 10.8 169.9-118.7 144.9 -12.5 77.1 76.2 82 85 A Q E -B 10 0A 46 -72,-2.3 -72,-2.0 -2,-0.4 2,-0.2 -0.914 39.9 -95.4-137.7 165.2 -12.6 78.9 79.5 83 86 A Y E -B 9 0A 14 -2,-0.3 2,-0.3 -74,-0.2 -74,-0.2 -0.549 56.2 -89.3 -75.9 151.9 -13.3 82.4 80.7 84 87 A A - 0 0 10 -76,-1.7 -80,-0.2 -2,-0.2 -1,-0.1 -0.476 27.0-148.6 -68.3 127.5 -10.2 84.5 81.4 85 88 A K S S+ 0 0 168 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.477 84.6 27.1 -76.2 -3.0 -8.9 84.1 85.0 86 89 A T S S- 0 0 114 -78,-0.1 -1,-0.2 -80,-0.0 -78,-0.1 -0.936 95.4 -95.5-159.5 135.7 -7.6 87.7 84.9 87 90 A D - 0 0 85 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.146 45.8-110.5 -50.4 141.6 -8.6 90.8 82.9 88 91 A S > - 0 0 22 1,-0.1 4,-2.3 -4,-0.0 5,-0.2 -0.437 16.0-123.5 -75.6 151.4 -6.6 91.5 79.7 89 92 A D H > S+ 0 0 123 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.826 109.9 59.6 -62.0 -34.5 -4.2 94.4 79.5 90 93 A I H 4 S+ 0 0 74 2,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.925 111.8 36.9 -60.0 -49.0 -6.0 95.7 76.5 91 94 A I H >> S+ 0 0 12 1,-0.2 3,-1.7 2,-0.1 4,-1.2 0.913 108.3 62.2 -73.5 -45.6 -9.4 96.1 78.3 92 95 A A H 3< S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.662 91.4 70.5 -56.7 -18.1 -8.0 97.3 81.6 93 96 A K T 3< S+ 0 0 165 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.1 0.146 107.8 35.5 -84.6 18.5 -6.6 100.3 79.7 94 97 A M T <4 0 0 130 -3,-1.7 -2,-0.2 1,-0.0 -1,-0.2 0.491 360.0 360.0-137.0 -31.4 -10.2 101.6 79.4 95 98 A K < 0 0 198 -4,-1.2 -3,-0.0 0, 0.0 -4,-0.0 -0.424 360.0 360.0 -77.8 360.0 -11.9 100.6 82.6