==== 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 3U3L . COMPND 2 MOLECULE: TABLYSIN 15; . SOURCE 2 ORGANISM_SCIENTIFIC: TABANUS YAO; . AUTHOR J.F.ANDERSEN,X.XU,J.M.RIBEIRO . 230 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 58.7 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 12.2 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 . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 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 82 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 151.6 30.0 11.6 -10.0 2 2 C N > - 0 0 88 1,-0.2 3,-2.1 3,-0.1 15,-0.1 -0.845 360.0-158.6 -86.9 107.6 27.3 14.2 -10.8 3 3 C Y G > S+ 0 0 46 -2,-0.9 3,-1.4 1,-0.3 14,-0.2 0.797 87.9 65.6 -65.2 -25.1 24.2 12.2 -9.9 4 4 C a G 3 S+ 0 0 71 1,-0.3 -1,-0.3 12,-0.2 13,-0.1 0.695 107.2 43.2 -65.8 -17.0 22.0 14.4 -12.1 5 5 C R G < S+ 0 0 209 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.139 91.3 91.6-118.1 18.9 24.0 13.0 -15.0 6 6 C L < - 0 0 37 -3,-1.4 90,-0.1 -5,-0.1 -1,-0.1 -0.925 67.1-157.4-111.4 102.1 24.0 9.4 -14.0 7 7 C P - 0 0 103 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.211 6.4-158.2 -78.7 172.2 21.0 7.8 -15.6 8 8 C b > - 0 0 29 4,-0.1 3,-2.1 86,-0.0 2,-0.2 -0.981 31.7 -91.7-144.7 154.7 19.2 4.7 -14.5 9 9 C R T 3 S+ 0 0 251 -2,-0.3 3,-0.2 1,-0.3 0, 0.0 -0.516 117.0 34.4 -67.8 131.5 16.9 2.2 -16.2 10 10 C G T 3 S- 0 0 60 -2,-0.2 -1,-0.3 1,-0.1 84,-0.0 0.121 108.7-115.7 103.1 -20.2 13.4 3.3 -15.6 11 11 C D < + 0 0 141 -3,-2.1 2,-0.2 1,-0.2 -1,-0.1 0.844 58.3 157.2 60.9 39.4 14.4 7.0 -15.8 12 12 C N - 0 0 63 -3,-0.2 -1,-0.2 1,-0.1 -4,-0.1 -0.630 50.5 -90.6 -90.4 155.9 13.6 8.0 -12.2 13 13 C Y - 0 0 129 -2,-0.2 81,-2.7 1,-0.1 2,-0.4 -0.273 44.1-114.4 -59.1 150.7 15.2 10.9 -10.5 14 14 C H B > -a 94 0A 11 79,-0.2 3,-1.9 1,-0.1 81,-0.2 -0.747 12.1-132.9 -90.7 133.8 18.4 10.1 -8.6 15 15 C V T 3 S+ 0 0 17 79,-2.9 80,-0.1 -2,-0.4 -1,-0.1 0.775 107.1 51.8 -53.3 -29.1 18.3 10.5 -4.8 16 16 C G T 3 S+ 0 0 14 78,-0.3 2,-0.3 -13,-0.1 -1,-0.3 0.507 84.7 108.3 -89.7 -3.3 21.6 12.3 -4.9 17 17 C a S < S+ 0 0 50 -3,-1.9 2,-0.0 -14,-0.2 -15,-0.0 -0.582 74.0 1.0 -81.3 131.7 20.6 14.9 -7.6 18 18 C G S S- 0 0 43 -2,-0.3 -15,-0.1 2,-0.0 -14,-0.0 -0.163 103.2 -36.8 89.1 176.8 20.1 18.5 -6.5 19 19 C E - 0 0 175 1,-0.1 -2,-0.1 -2,-0.0 2,-0.0 -0.538 67.4-106.6 -78.3 140.0 20.4 20.3 -3.2 20 20 C P + 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.324 45.3 166.6 -64.2 143.8 19.3 18.4 -0.1 21 21 C A - 0 0 72 61,-0.2 2,-0.4 -2,-0.0 64,-0.0 -0.977 37.9-108.8-151.9 152.3 16.1 19.4 1.6 22 22 C Y - 0 0 95 -2,-0.3 64,-0.2 8,-0.1 63,-0.1 -0.735 39.8-117.9 -81.6 134.6 13.8 18.0 4.3 23 23 C A > - 0 0 34 62,-2.3 3,-2.0 -2,-0.4 4,-0.1 -0.326 16.0-121.2 -65.3 149.7 10.5 16.7 2.9 24 24 C Q G > S+ 0 0 173 1,-0.3 3,-2.3 2,-0.2 -1,-0.1 0.871 113.5 69.8 -57.0 -34.4 7.3 18.3 4.1 25 25 C E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 61,-0.2 3,-0.1 0.632 85.2 69.0 -62.0 -12.5 6.4 14.8 5.3 26 26 C c G X S- 0 0 0 -3,-2.0 3,-0.6 1,-0.3 148,-0.5 0.440 102.7-135.3 -77.5 -4.2 9.1 15.2 8.0 27 27 C G T < - 0 0 16 -3,-2.3 -1,-0.3 1,-0.2 148,-0.1 -0.276 41.2 -58.6 67.6-163.3 7.0 17.8 9.7 28 28 C Q T 3 S+ 0 0 174 146,-0.3 -1,-0.2 1,-0.2 147,-0.1 0.368 125.0 54.9-103.9 6.7 8.7 21.0 10.9 29 29 C S < + 0 0 86 -3,-0.6 -1,-0.2 145,-0.4 2,-0.1 -0.196 67.6 149.0-131.2 43.2 11.4 19.7 13.3 30 30 C P - 0 0 25 0, 0.0 2,-0.3 0, 0.0 143,-0.2 -0.467 21.3-172.3 -78.7 153.8 13.4 17.2 11.3 31 31 C R E -B 172 0B 140 141,-2.9 141,-2.5 -2,-0.1 2,-0.2 -0.905 17.7-142.7-145.0 117.1 17.1 16.7 12.0 32 32 C T E -B 171 0B 20 -2,-0.3 139,-0.3 139,-0.3 2,-0.2 -0.550 27.2-144.8 -68.8 138.1 19.6 14.6 10.1 33 33 C R - 0 0 42 137,-3.2 2,-0.5 -2,-0.2 137,-0.4 -0.519 7.5-120.9 -98.3 169.4 21.9 12.9 12.4 34 34 C E - 0 0 136 -2,-0.2 2,-1.0 135,-0.1 135,-0.1 -0.977 13.3-145.5-110.5 124.7 25.6 12.1 12.0 35 35 C L - 0 0 17 -2,-0.5 133,-0.1 133,-0.2 2,-0.0 -0.813 28.5-159.0 -86.5 104.7 26.6 8.5 12.2 36 36 C L >> - 0 0 69 -2,-1.0 4,-2.3 1,-0.1 3,-0.7 -0.134 35.1 -84.5 -80.2 177.7 30.1 8.8 13.8 37 37 C K H 3> S+ 0 0 143 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.877 128.3 54.3 -52.4 -44.2 32.9 6.3 13.8 38 38 C E H 3> S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.875 111.0 45.7 -59.3 -38.9 31.5 4.5 16.8 39 39 C H H <> S+ 0 0 16 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.888 112.3 49.5 -72.4 -42.1 28.1 4.0 15.0 40 40 C R H X S+ 0 0 78 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 111.6 49.8 -63.6 -43.8 29.6 2.9 11.7 41 41 C N H X S+ 0 0 85 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.864 109.7 51.0 -62.7 -39.0 31.9 0.4 13.5 42 42 C E H X S+ 0 0 34 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.930 109.4 49.8 -65.2 -46.6 28.9 -1.0 15.4 43 43 C I H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.950 114.1 45.8 -55.7 -49.7 26.8 -1.5 12.2 44 44 C L H X S+ 0 0 25 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.908 110.1 54.2 -60.9 -41.1 29.8 -3.2 10.5 45 45 C S H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.906 110.5 45.0 -64.2 -40.8 30.5 -5.4 13.5 46 46 C K H X S+ 0 0 73 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.904 114.0 48.8 -71.0 -41.5 26.9 -6.7 13.7 47 47 C I H X S+ 0 0 19 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.940 115.8 43.6 -61.5 -47.3 26.6 -7.3 9.9 48 48 C N H X S+ 0 0 6 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.862 109.9 57.3 -68.8 -32.7 30.0 -9.2 9.9 49 49 C D H X S+ 0 0 82 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.936 110.6 42.9 -58.5 -47.5 29.1 -11.1 13.1 50 50 C V H X S+ 0 0 26 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.900 113.2 52.1 -71.4 -37.2 25.9 -12.5 11.5 51 51 C R H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.942 111.6 46.6 -60.4 -47.0 27.7 -13.2 8.2 52 52 C D H X S+ 0 0 31 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.886 114.0 48.4 -62.6 -38.3 30.4 -15.2 10.0 53 53 C H H <>S+ 0 0 68 -4,-2.0 5,-0.6 -5,-0.2 3,-0.4 0.922 115.6 42.8 -70.4 -44.8 27.9 -17.1 12.1 54 54 C V H >X5S+ 0 0 0 -4,-2.9 3,-2.3 1,-0.2 4,-0.5 0.903 106.0 63.7 -66.9 -38.7 25.7 -18.0 9.1 55 55 C A H 3<5S+ 0 0 0 -4,-2.8 9,-2.2 1,-0.3 -1,-0.2 0.755 97.3 55.4 -61.6 -27.9 28.8 -18.9 6.9 56 56 C K T 3<5S- 0 0 107 -4,-0.9 -1,-0.3 -3,-0.4 7,-0.2 0.390 129.7 -93.7 -86.2 5.0 29.8 -21.7 9.2 57 57 C G T <45 + 0 0 30 -3,-2.3 3,-0.4 5,-0.5 6,-0.2 0.916 68.1 161.2 88.4 50.2 26.3 -23.2 8.8 58 58 C S ><< + 0 0 17 -5,-0.6 3,-2.1 -4,-0.5 -1,-0.1 -0.529 51.8 29.5 -96.1 164.7 24.3 -21.9 11.7 59 59 C W T 3 S- 0 0 74 1,-0.3 -1,-0.2 -2,-0.2 -5,-0.1 0.704 129.4 -66.1 66.4 20.8 20.6 -21.7 12.3 60 60 C G T 3 S+ 0 0 61 -3,-0.4 -1,-0.3 1,-0.3 78,-0.2 0.577 106.2 131.0 74.3 8.7 19.9 -24.7 10.1 61 61 C L < - 0 0 7 -3,-2.1 -1,-0.3 1,-0.1 3,-0.1 -0.555 63.4 -92.7 -90.6 159.5 21.2 -22.7 7.1 62 62 C P - 0 0 1 0, 0.0 -5,-0.5 0, 0.0 -4,-0.2 -0.252 41.4 -97.0 -70.4 157.2 23.8 -24.0 4.7 63 63 C V - 0 0 30 138,-0.4 138,-2.0 -7,-0.2 2,-0.5 -0.510 41.9-123.8 -67.9 138.6 27.6 -23.4 5.0 64 64 C A B -F 200 0C 0 -9,-2.2 141,-2.7 136,-0.2 3,-0.4 -0.800 16.0-161.5 -97.5 126.2 28.7 -20.5 2.8 65 65 C A S S+ 0 0 0 134,-2.6 142,-2.5 -2,-0.5 143,-0.3 0.770 83.8 7.0 -71.0 -31.5 31.5 -21.0 0.2 66 66 C R S S+ 0 0 71 133,-0.5 2,-0.6 141,-0.1 -1,-0.2 -0.307 70.7 158.6-159.1 63.7 32.6 -17.4 -0.3 67 67 C X - 0 0 0 150,-0.4 152,-2.2 -3,-0.4 2,-0.2 -0.829 30.6-145.5 -95.5 115.3 31.0 -14.8 2.1 68 68 C K B -g 219 0D 26 -2,-0.6 2,-0.2 95,-0.3 152,-0.2 -0.493 18.7-105.6 -83.9 148.0 33.2 -11.7 2.2 69 69 C V - 0 0 14 150,-2.1 2,-0.3 -2,-0.2 154,-0.1 -0.542 43.9-128.0 -61.0 131.6 33.9 -9.3 5.2 70 70 C V - 0 0 2 -2,-0.2 2,-0.3 -26,-0.2 95,-0.2 -0.627 21.5-158.4 -90.1 142.0 31.8 -6.1 4.5 71 71 C V E -c 165 0B 68 93,-1.7 95,-2.1 -2,-0.3 2,-0.3 -0.785 25.1-101.1-112.0 162.9 33.4 -2.7 4.7 72 72 C W E -c 166 0B 52 -2,-0.3 2,-0.5 93,-0.2 95,-0.2 -0.647 31.3-155.8 -79.8 136.8 31.8 0.8 5.2 73 73 C D > - 0 0 17 93,-2.6 4,-2.3 -2,-0.3 5,-0.2 -0.961 8.6-159.3-120.3 118.5 31.3 2.8 2.0 74 74 C A H > S+ 0 0 77 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.844 92.2 52.2 -63.0 -37.5 31.1 6.6 2.4 75 75 C E H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 110.3 46.9 -67.1 -47.7 29.3 7.1 -0.9 76 76 C L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 91,-0.2 0.898 112.9 51.9 -56.9 -41.2 26.6 4.6 -0.1 77 77 C A H X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.881 107.2 51.6 -63.2 -40.6 26.3 6.2 3.3 78 78 C G H X S+ 0 0 40 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.883 111.1 47.5 -66.8 -38.4 25.9 9.7 1.8 79 79 C L H X S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.873 111.6 50.7 -68.2 -37.1 23.1 8.5 -0.5 80 80 C A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 89,-0.2 0.922 109.5 51.0 -65.3 -46.2 21.4 6.8 2.4 81 81 C K H X S+ 0 0 99 -4,-2.8 4,-0.9 87,-0.2 -2,-0.2 0.939 109.4 50.3 -54.4 -48.7 21.6 10.0 4.5 82 82 C R H >< S+ 0 0 52 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.906 108.2 54.0 -57.4 -42.8 20.1 12.0 1.6 83 83 C H H >< S+ 0 0 11 -4,-2.0 3,-2.1 1,-0.2 5,-0.5 0.909 101.3 58.5 -58.2 -43.4 17.3 9.4 1.4 84 84 C T H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.744 89.6 72.5 -63.2 -23.2 16.4 9.8 5.1 85 85 C K T << S+ 0 0 31 -4,-0.9 -62,-2.3 -3,-0.9 -1,-0.3 0.657 90.0 61.5 -65.0 -16.6 15.8 13.5 4.6 86 86 C G T < S- 0 0 25 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.607 97.0-143.1 -82.0 -14.6 12.6 12.5 2.8 87 87 C c < + 0 0 14 -3,-1.7 2,-0.4 -4,-0.3 -3,-0.1 0.673 65.8 109.7 60.1 20.6 11.3 10.8 5.9 88 88 C V - 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