==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 06-OCT-11 3U3U . COMPND 2 MOLECULE: TABLYSIN 15; . SOURCE 2 ORGANISM_SCIENTIFIC: TABANUS YAO; . AUTHOR J.F.ANDERSEN . 232 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 12.1 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 . 3 1.3 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 . 15 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 2 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 C V 0 0 100 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-175.6 30.2 12.1 -9.4 2 2 C N > - 0 0 73 1,-0.1 3,-1.9 3,-0.1 15,-0.1 -0.817 360.0-166.6 -93.9 107.5 27.2 14.2 -10.6 3 3 C Y G > S+ 0 0 42 -2,-0.8 3,-0.9 13,-0.3 14,-0.3 0.713 83.9 65.7 -68.6 -23.0 24.1 12.2 -9.8 4 4 C a G 3 S+ 0 0 68 1,-0.2 -1,-0.3 12,-0.2 13,-0.1 0.639 107.5 44.0 -71.0 -13.1 21.9 14.4 -12.0 5 5 C R G < S+ 0 0 209 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.257 90.8 90.0-117.6 13.2 23.9 13.0 -14.9 6 6 C L < - 0 0 39 -3,-0.9 90,-0.1 -4,-0.1 -1,-0.1 -0.922 66.8-160.1-107.1 104.1 24.0 9.3 -13.9 7 7 C P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.317 6.6-161.8 -82.2 168.9 20.9 7.7 -15.4 8 8 C b > - 0 0 27 4,-0.2 3,-2.3 -2,-0.1 4,-0.1 -0.968 35.3 -85.1-145.6 152.2 19.2 4.5 -14.4 9 9 C R T 3 S+ 0 0 252 -2,-0.3 3,-0.3 1,-0.3 0, 0.0 -0.443 120.2 35.4 -61.1 136.2 16.8 2.1 -16.1 10 10 C G T 3 S- 0 0 59 1,-0.2 -1,-0.3 -2,-0.1 84,-0.0 0.098 108.6-117.4 99.1 -16.2 13.3 3.4 -15.4 11 11 C D < + 0 0 133 -3,-2.3 2,-0.2 1,-0.2 -1,-0.2 0.862 56.2 164.2 49.3 44.7 14.7 6.9 -15.7 12 12 C N - 0 0 62 -3,-0.3 -1,-0.2 1,-0.1 -4,-0.2 -0.572 46.0 -93.0 -85.9 153.7 13.7 7.8 -12.1 13 13 C Y - 0 0 133 -2,-0.2 81,-3.6 1,-0.1 2,-0.5 -0.277 42.8-113.9 -62.4 152.9 15.2 10.8 -10.5 14 14 C H B > -a 94 0A 11 79,-0.2 3,-2.1 1,-0.1 81,-0.2 -0.806 9.6-137.1 -94.9 130.6 18.4 10.1 -8.5 15 15 C V T 3 S+ 0 0 18 79,-2.8 80,-0.1 -2,-0.5 -1,-0.1 0.719 104.4 56.1 -54.0 -19.9 18.1 10.5 -4.7 16 16 C G T 3 S+ 0 0 13 78,-0.4 2,-0.3 -13,-0.1 -13,-0.3 0.445 83.3 102.3 -99.3 -0.3 21.5 12.2 -4.9 17 17 C a S < S+ 0 0 49 -3,-2.1 2,-0.1 -14,-0.3 -15,-0.0 -0.669 75.0 2.9 -94.5 137.6 20.8 15.0 -7.4 18 18 C G S S- 0 0 46 -2,-0.3 -15,-0.1 2,-0.1 -14,-0.0 -0.297 103.4 -33.4 87.6-173.7 20.2 18.6 -6.5 19 19 C E - 0 0 169 1,-0.1 -2,-0.1 -2,-0.1 2,-0.1 -0.676 67.3-103.6 -87.7 136.7 20.4 20.3 -3.1 20 20 C P + 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.308 46.3 171.8 -58.2 127.1 19.4 18.4 0.1 21 21 C A - 0 0 74 61,-0.2 2,-0.4 -2,-0.1 0, 0.0 -0.971 34.3-115.7-132.6 150.1 16.0 19.4 1.5 22 22 C Y - 0 0 94 -2,-0.3 64,-0.2 64,-0.1 63,-0.1 -0.768 38.4-116.4 -82.7 133.3 13.8 18.0 4.3 23 23 C A > - 0 0 31 62,-2.6 3,-1.5 -2,-0.4 4,-0.1 -0.253 14.8-121.9 -63.8 151.0 10.5 16.6 3.1 24 24 C Q G > S+ 0 0 179 1,-0.3 3,-2.8 2,-0.2 -1,-0.1 0.918 113.1 67.5 -58.7 -42.0 7.2 18.2 4.2 25 25 C E G 3 S+ 0 0 136 1,-0.3 -1,-0.3 61,-0.2 3,-0.1 0.693 86.5 71.5 -50.5 -19.8 6.3 14.8 5.5 26 26 C c G X S- 0 0 0 -3,-1.5 3,-0.7 1,-0.2 149,-0.7 0.513 97.9-142.7 -74.9 -5.5 9.1 15.4 8.1 27 27 C G T < - 0 0 16 -3,-2.8 -1,-0.2 1,-0.2 149,-0.1 -0.253 41.0 -55.6 65.0-160.9 7.0 18.0 9.8 28 28 C Q T 3 S+ 0 0 171 147,-0.3 -1,-0.2 1,-0.2 148,-0.1 0.210 124.8 54.3-108.6 19.4 8.7 21.1 11.2 29 29 C S < + 0 0 80 -3,-0.7 -1,-0.2 146,-0.3 -2,-0.1 0.012 67.7 149.3-136.7 30.5 11.4 19.7 13.5 30 30 C P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 144,-0.2 -0.351 19.7-176.1 -69.5 144.2 13.5 17.3 11.4 31 31 C R E -B 173 0B 141 142,-3.1 142,-2.6 -2,-0.0 2,-0.1 -0.924 21.2-137.8-143.0 123.9 17.2 16.8 12.1 32 32 C T E -B 172 0B 30 -2,-0.3 2,-0.5 140,-0.2 140,-0.3 -0.477 26.3-142.3 -68.7 144.2 19.6 14.7 10.2 33 33 C R - 0 0 37 138,-3.3 138,-0.5 -2,-0.1 2,-0.4 -0.962 7.2-126.4-126.1 121.5 21.9 12.8 12.5 34 34 C E - 0 0 133 -2,-0.5 2,-1.1 136,-0.1 5,-0.1 -0.492 12.6-144.1 -72.3 119.0 25.6 12.1 12.0 35 35 C L - 0 0 13 -2,-0.4 -1,-0.1 134,-0.2 134,-0.1 -0.760 29.3-155.9 -78.4 100.0 26.6 8.5 12.3 36 36 C L >> - 0 0 78 -2,-1.1 4,-2.0 1,-0.1 3,-0.5 -0.054 32.8 -83.8 -72.0 178.5 30.0 8.9 13.9 37 37 C K H 3> S+ 0 0 125 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.857 129.1 50.8 -58.2 -39.8 33.0 6.5 13.7 38 38 C E H 3> S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.872 108.7 52.1 -67.0 -36.0 31.7 4.4 16.6 39 39 C H H <> S+ 0 0 11 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.896 110.2 48.3 -64.7 -40.9 28.2 4.1 15.0 40 40 C R H X S+ 0 0 65 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.891 112.5 48.6 -67.7 -40.7 29.8 2.9 11.7 41 41 C N H X S+ 0 0 77 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.853 109.8 51.3 -65.5 -38.0 31.9 0.3 13.5 42 42 C E H X S+ 0 0 59 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.954 112.0 46.8 -66.1 -48.7 29.0 -1.0 15.6 43 43 C I H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.924 114.9 46.4 -52.1 -51.8 26.9 -1.5 12.4 44 44 C L H X S+ 0 0 26 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.892 111.9 53.2 -60.5 -39.1 29.9 -3.1 10.6 45 45 C S H X S+ 0 0 35 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.945 110.8 43.1 -65.4 -49.4 30.5 -5.3 13.7 46 46 C K H X S+ 0 0 73 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.897 114.9 49.7 -64.4 -42.0 27.0 -6.7 14.0 47 47 C I H X S+ 0 0 21 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.901 115.7 43.3 -64.2 -42.3 26.6 -7.3 10.2 48 48 C N H X S+ 0 0 5 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.835 108.6 58.6 -73.3 -32.7 29.9 -9.1 10.1 49 49 C D H X S+ 0 0 78 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.959 111.5 41.1 -55.5 -50.1 29.2 -11.1 13.3 50 50 C V H X S+ 0 0 24 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.853 111.3 55.1 -72.6 -38.1 26.1 -12.6 11.8 51 51 C R H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.916 110.2 48.6 -55.7 -43.4 27.7 -13.2 8.4 52 52 C D H X S+ 0 0 28 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.931 112.3 46.8 -66.6 -42.2 30.3 -15.1 10.2 53 53 C H H >X>S+ 0 0 79 -4,-2.0 5,-1.3 2,-0.2 3,-0.7 0.956 115.7 44.9 -63.1 -51.6 27.8 -17.2 12.2 54 54 C V H ><5S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.2 4,-0.3 0.922 109.8 53.4 -58.7 -48.2 25.7 -18.0 9.2 55 55 C A H 3<5S+ 0 0 0 -4,-2.4 9,-1.7 1,-0.3 -1,-0.2 0.709 100.3 65.8 -61.3 -18.9 28.6 -18.9 6.9 56 56 C K H <<5S- 0 0 118 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.733 125.6 -99.6 -74.6 -25.2 29.7 -21.3 9.6 57 57 C G T X<5 + 0 0 27 -3,-2.0 3,-0.8 -4,-0.5 -3,-0.2 0.591 65.4 165.6 109.3 23.7 26.6 -23.4 9.1 58 58 C S G > < + 0 0 16 -5,-1.3 3,-0.9 -4,-0.3 -1,-0.2 -0.392 59.7 20.7 -75.2 148.1 24.6 -22.0 11.9 59 59 C W G 3 S- 0 0 73 1,-0.3 -1,-0.2 -2,-0.1 -5,-0.0 0.797 127.6 -74.8 66.6 29.1 20.8 -22.6 12.2 60 60 C G G < S+ 0 0 53 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.267 97.5 142.9 67.0 -17.7 21.2 -25.6 9.9 61 61 C L < - 0 0 9 -3,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.205 61.6 -92.8 -46.3 144.5 21.6 -23.0 7.2 62 62 C P - 0 0 6 0, 0.0 -5,-0.4 0, 0.0 -4,-0.2 -0.168 42.4 -95.6 -66.0 161.2 24.2 -24.2 4.7 63 63 C V - 0 0 27 139,-0.5 139,-1.6 -7,-0.2 2,-0.5 -0.466 38.8-122.1 -71.8 144.3 27.9 -23.3 4.9 64 64 C A B -F 201 0C 0 -9,-1.7 142,-2.8 137,-0.2 3,-0.4 -0.825 16.2-163.2-101.8 124.9 29.0 -20.3 2.8 65 65 C A S S+ 0 0 0 135,-2.5 143,-2.6 -2,-0.5 144,-0.4 0.751 83.6 7.9 -73.0 -31.1 31.7 -20.8 0.3 66 66 C R S S+ 0 0 55 134,-0.5 2,-0.6 142,-0.2 -1,-0.2 -0.210 73.5 154.3-153.1 53.5 32.8 -17.2 -0.4 67 67 C M - 0 0 0 -3,-0.4 153,-1.7 151,-0.4 2,-0.2 -0.787 32.8-144.5 -95.5 121.1 31.1 -14.7 2.0 68 68 C K B -g 220 0D 23 -2,-0.6 2,-0.3 96,-0.4 153,-0.2 -0.481 16.9-104.0 -94.0 150.4 33.2 -11.6 2.4 69 69 C V - 0 0 15 151,-2.2 2,-0.2 152,-0.2 155,-0.1 -0.537 45.4-129.4 -62.6 129.9 34.0 -9.2 5.3 70 70 C V - 0 0 3 -2,-0.3 2,-0.3 -26,-0.2 96,-0.2 -0.602 20.1-158.3 -89.1 143.9 31.9 -6.1 4.7 71 71 C V E -c 166 0B 70 94,-1.5 96,-2.5 -2,-0.2 2,-0.3 -0.816 25.5-101.9-115.5 161.3 33.3 -2.5 4.8 72 72 C W E -c 167 0B 51 -2,-0.3 2,-0.5 94,-0.2 96,-0.2 -0.600 30.6-152.6 -75.1 137.7 31.7 0.9 5.3 73 73 C D > - 0 0 16 94,-3.5 4,-2.5 -2,-0.3 5,-0.1 -0.948 9.2-162.5-118.7 117.7 31.1 2.9 2.1 74 74 C A H > S+ 0 0 77 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.875 92.1 53.4 -63.1 -38.3 31.0 6.7 2.5 75 75 C E H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.959 110.5 44.7 -62.1 -52.5 29.2 7.1 -0.9 76 76 C L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 92,-0.2 0.912 112.7 54.9 -55.4 -41.8 26.4 4.7 -0.0 77 77 C A H X S+ 0 0 13 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.894 105.6 50.3 -58.9 -45.8 26.2 6.4 3.4 78 78 C G H X S+ 0 0 36 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.891 112.3 47.3 -58.4 -42.0 25.7 9.8 1.8 79 79 C L H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.873 113.1 49.1 -70.6 -36.8 22.9 8.5 -0.4 80 80 C A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 90,-0.2 0.945 112.1 48.1 -62.1 -51.4 21.4 6.8 2.6 81 81 C K H X S+ 0 0 97 -4,-3.3 4,-1.1 1,-0.2 3,-0.5 0.971 111.9 49.6 -53.3 -56.1 21.6 10.0 4.6 82 82 C R H < S+ 0 0 52 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.840 108.8 53.6 -52.3 -39.3 20.1 12.0 1.8 83 83 C H H ><>S+ 0 0 11 -4,-1.9 3,-2.0 1,-0.2 5,-0.5 0.903 101.3 58.4 -64.9 -40.4 17.3 9.5 1.5 84 84 C T H ><5S+ 0 0 0 -4,-2.3 3,-1.8 -3,-0.5 -1,-0.2 0.767 91.1 72.0 -62.4 -25.1 16.4 9.8 5.2 85 85 C K T 3<5S+ 0 0 29 -4,-1.1 -62,-2.6 -3,-0.4 -1,-0.3 0.595 90.1 59.8 -65.0 -12.1 15.8 13.5 4.6 86 86 C G T < 5S- 0 0 26 -3,-2.0 -1,-0.3 -64,-0.2 -2,-0.2 0.562 99.3-142.5 -90.0 -12.4 12.7 12.6 2.8 87 87 C c T < 5 + 0 0 12 -3,-1.8 2,-0.4 -4,-0.3 -3,-0.1 0.698 63.5 111.4 60.3 21.5 11.4 10.9 5.9 88 88 C V < - 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