==== 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 3U3N . COMPND 2 MOLECULE: TABLYSIN 15; . SOURCE 2 ORGANISM_SCIENTIFIC: TABANUS YAO; . AUTHOR J.F.ANDERSEN . 228 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 20.2 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 . 3 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 81 0, 0.0 2,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 159.5 -30.0 -11.8 -9.8 2 2 C N > - 0 0 76 1,-0.2 3,-2.2 3,-0.1 15,-0.1 -0.831 360.0-157.4 -84.6 109.0 -27.3 -14.3 -10.6 3 3 C Y G > S+ 0 0 43 -2,-0.8 3,-1.4 1,-0.3 14,-0.3 0.751 87.6 68.6 -68.2 -22.1 -24.2 -12.2 -9.8 4 4 C a G 3 S+ 0 0 69 1,-0.3 -1,-0.3 12,-0.2 13,-0.1 0.672 105.1 43.9 -66.0 -15.5 -22.1 -14.4 -12.0 5 5 C R G < S+ 0 0 206 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.153 90.8 91.2-118.3 17.6 -24.1 -13.0 -14.9 6 6 C L < - 0 0 35 -3,-1.4 90,-0.1 -5,-0.1 -1,-0.1 -0.918 67.4-156.5-110.3 102.4 -24.1 -9.4 -13.9 7 7 C P - 0 0 103 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.194 6.2-157.9 -77.4 172.6 -21.1 -7.8 -15.6 8 8 C b > - 0 0 29 4,-0.1 3,-2.1 86,-0.0 2,-0.2 -0.983 31.1 -93.4-144.7 154.7 -19.3 -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 -0.537 116.9 34.7 -69.8 133.5 -17.0 -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 0.114 109.1-115.9 101.7 -19.2 -13.4 -3.3 -15.6 11 11 C D < + 0 0 143 -3,-2.1 2,-0.2 1,-0.2 -1,-0.1 0.846 58.1 158.0 57.1 42.1 -14.5 -7.0 -15.8 12 12 C N - 0 0 64 -3,-0.2 -1,-0.2 1,-0.1 -4,-0.1 -0.633 49.9 -91.3 -90.0 155.9 -13.7 -7.9 -12.2 13 13 C Y - 0 0 129 -2,-0.2 81,-2.8 1,-0.1 2,-0.4 -0.297 43.8-114.4 -61.1 151.6 -15.3 -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 -0.738 12.1-132.6 -91.4 135.3 -18.4 -10.1 -8.5 15 15 C V T 3 S+ 0 0 17 79,-2.9 80,-0.1 -2,-0.4 -1,-0.1 0.771 106.6 51.7 -56.7 -26.8 -18.3 -10.5 -4.8 16 16 C G T 3 S+ 0 0 14 78,-0.3 2,-0.4 -13,-0.1 -13,-0.3 0.508 84.2 107.4 -90.1 -3.7 -21.6 -12.4 -4.9 17 17 C a S < S+ 0 0 49 -3,-1.9 2,-0.1 -14,-0.3 -15,-0.0 -0.605 74.5 2.6 -82.8 128.8 -20.7 -14.9 -7.6 18 18 C G S S- 0 0 43 -2,-0.4 -15,-0.1 2,-0.0 -14,-0.0 -0.206 103.1 -36.8 93.3 175.6 -20.1 -18.5 -6.5 19 19 C E - 0 0 173 1,-0.1 -2,-0.1 -2,-0.1 2,-0.0 -0.519 67.1-105.9 -77.3 140.2 -20.4 -20.3 -3.2 20 20 C P + 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.321 45.9 166.6 -62.7 143.7 -19.3 -18.4 0.0 21 21 C A - 0 0 71 61,-0.2 2,-0.4 -2,-0.0 64,-0.0 -0.982 37.9-109.3-152.8 151.8 -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 -0.731 39.5-118.5 -81.3 132.7 -13.8 -18.0 4.3 23 23 C A > - 0 0 34 62,-2.3 3,-2.1 -2,-0.4 4,-0.1 -0.339 16.5-121.2 -62.6 148.3 -10.5 -16.6 2.9 24 24 C Q G > S+ 0 0 176 1,-0.3 3,-2.5 2,-0.2 -1,-0.1 0.878 113.4 69.4 -57.8 -34.4 -7.3 -18.3 4.1 25 25 C E G 3 S+ 0 0 142 1,-0.3 -1,-0.3 61,-0.2 3,-0.1 0.615 85.2 69.9 -61.4 -11.3 -6.3 -14.8 5.3 26 26 C c G X S- 0 0 0 -3,-2.1 3,-0.6 1,-0.3 146,-0.5 0.485 102.2-136.3 -78.7 -5.8 -9.1 -15.2 8.0 27 27 C G T < - 0 0 17 -3,-2.5 -1,-0.3 1,-0.2 146,-0.1 -0.298 40.4 -59.1 69.5-164.9 -7.0 -17.8 9.7 28 28 C Q T 3 S+ 0 0 175 144,-0.3 -1,-0.2 1,-0.2 145,-0.1 0.287 125.0 56.5-103.9 10.7 -8.6 -20.9 10.9 29 29 C S < + 0 0 82 -3,-0.6 -1,-0.2 143,-0.4 2,-0.1 -0.139 67.4 148.5-132.2 41.1 -11.3 -19.6 13.3 30 30 C P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 141,-0.2 -0.450 20.6-174.4 -78.0 150.9 -13.4 -17.2 11.3 31 31 C R E -B 170 0B 142 139,-3.0 139,-2.4 -2,-0.1 2,-0.2 -0.895 19.8-140.7-144.4 117.4 -17.1 -16.6 12.0 32 32 C T E -B 169 0B 26 -2,-0.3 2,-0.5 137,-0.3 137,-0.3 -0.549 26.8-142.9 -68.4 137.7 -19.5 -14.5 10.1 33 33 C R - 0 0 38 135,-3.1 135,-0.5 -2,-0.2 2,-0.4 -0.909 7.9-124.4-114.8 128.0 -21.8 -12.8 12.6 34 34 C E - 0 0 143 -2,-0.5 2,-0.9 133,-0.1 133,-0.1 -0.514 14.8-143.1 -74.8 124.5 -25.5 -12.1 12.0 35 35 C L - 0 0 14 -2,-0.4 -1,-0.1 131,-0.2 131,-0.1 -0.803 28.0-157.9 -84.0 107.0 -26.6 -8.5 12.3 36 36 C L >> - 0 0 70 -2,-0.9 4,-2.6 1,-0.1 3,-0.9 -0.194 33.9 -85.8 -82.6 175.9 -30.0 -8.7 13.9 37 37 C K H 3> S+ 0 0 141 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.876 128.4 53.3 -50.6 -45.7 -32.9 -6.3 13.9 38 38 C E H 3> S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.848 111.6 46.2 -59.7 -35.7 -31.4 -4.4 16.9 39 39 C H H <> S+ 0 0 10 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.906 112.3 48.8 -73.9 -43.2 -28.1 -4.0 15.1 40 40 C R H X S+ 0 0 79 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.905 111.6 50.4 -63.8 -41.7 -29.6 -2.9 11.8 41 41 C N H X S+ 0 0 87 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.860 109.5 50.8 -62.9 -40.3 -31.8 -0.3 13.6 42 42 C E H X S+ 0 0 59 -4,-1.5 4,-2.3 -5,-0.2 5,-0.2 0.923 109.7 49.5 -65.4 -45.7 -28.8 1.1 15.5 43 43 C I H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.953 115.1 44.3 -56.6 -50.6 -26.8 1.5 12.2 44 44 C L H X S+ 0 0 27 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.898 110.6 56.4 -60.1 -40.9 -29.7 3.2 10.6 45 45 C S H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.914 110.4 42.3 -60.3 -45.8 -30.4 5.3 13.6 46 46 C K H X S+ 0 0 75 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.887 114.5 50.4 -73.1 -39.3 -26.8 6.8 13.7 47 47 C I H X S+ 0 0 20 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.945 115.0 43.5 -60.0 -48.8 -26.6 7.3 10.0 48 48 C N H X S+ 0 0 6 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.864 110.1 57.0 -69.0 -32.9 -30.0 9.2 10.0 49 49 C D H X S+ 0 0 74 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.937 110.3 43.5 -58.4 -48.5 -29.0 11.1 13.1 50 50 C V H X S+ 0 0 28 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.904 113.0 51.7 -70.4 -38.9 -25.9 12.5 11.5 51 51 C R H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.938 111.7 46.9 -57.1 -47.1 -27.7 13.3 8.2 52 52 C D H X S+ 0 0 31 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.885 114.5 48.3 -64.2 -36.3 -30.5 15.2 10.1 53 53 C H H <>S+ 0 0 67 -4,-2.0 5,-0.7 -5,-0.2 3,-0.5 0.915 115.4 41.8 -72.9 -45.0 -27.8 17.0 12.1 54 54 C V H >X5S+ 0 0 0 -4,-3.0 3,-2.5 1,-0.2 4,-0.6 0.887 106.0 65.0 -67.8 -36.6 -25.7 18.0 9.1 55 55 C A H 3<5S+ 0 0 0 -4,-2.7 9,-1.9 1,-0.3 -1,-0.2 0.770 93.7 60.9 -58.6 -28.9 -28.8 18.8 7.0 56 56 C K B 3<5S-F 63 0C 102 -4,-0.8 -1,-0.3 -3,-0.5 7,-0.2 0.426 127.3 -98.8 -74.3 -3.8 -29.6 21.7 9.4 57 57 C G T <45 + 0 0 27 -3,-2.5 3,-0.4 5,-0.5 6,-0.2 0.892 69.7 162.6 80.4 44.7 -26.3 23.3 8.5 58 58 C S ><< + 0 0 21 -5,-0.7 3,-2.0 -4,-0.6 -1,-0.1 -0.449 50.6 31.5 -88.5 166.4 -24.5 22.0 11.6 59 59 C W T 3 S- 0 0 71 1,-0.3 -1,-0.2 -2,-0.1 -5,-0.1 0.674 130.2 -69.5 65.1 17.0 -20.7 21.8 12.1 60 60 C G T 3 S+ 0 0 61 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.347 105.3 130.9 79.9 -5.9 -20.3 24.9 9.9 61 61 C L < - 0 0 5 -3,-2.0 -1,-0.3 1,-0.1 77,-0.1 -0.351 64.7 -90.5 -75.3 159.7 -21.3 22.7 7.0 62 62 C P - 0 0 2 0, 0.0 -5,-0.5 0, 0.0 -4,-0.2 -0.248 42.0 -95.9 -69.7 157.1 -24.0 24.0 4.6 63 63 C V B -F 56 0C 29 136,-0.4 136,-2.8 -7,-0.2 2,-0.5 -0.518 42.4-123.8 -67.6 136.1 -27.8 23.4 4.9 64 64 C A B -G 198 0D 0 -9,-1.9 139,-2.6 134,-0.2 3,-0.3 -0.765 16.1-160.7 -93.9 128.2 -28.8 20.4 2.8 65 65 C A S S+ 0 0 0 132,-2.9 140,-2.8 -2,-0.5 141,-0.4 0.786 83.0 6.0 -72.8 -35.1 -31.6 20.9 0.2 66 66 C R S S+ 0 0 66 131,-0.5 2,-0.6 139,-0.2 -1,-0.2 -0.327 71.8 157.7-156.3 63.5 -32.7 17.3 -0.3 67 67 C M - 0 0 0 148,-0.4 150,-2.4 -3,-0.3 2,-0.2 -0.837 30.7-146.0 -94.9 116.3 -31.1 14.8 2.0 68 68 C K B -h 217 0E 23 -2,-0.6 2,-0.2 93,-0.3 150,-0.2 -0.498 19.1-104.3 -86.0 149.1 -33.3 11.6 2.3 69 69 C V - 0 0 14 148,-2.3 2,-0.3 -2,-0.2 152,-0.1 -0.507 44.6-126.7 -61.3 134.5 -33.9 9.3 5.3 70 70 C V - 0 0 2 -2,-0.2 2,-0.3 -26,-0.2 93,-0.2 -0.643 21.8-157.4 -91.2 141.4 -31.9 6.1 4.6 71 71 C V E -c 163 0B 66 91,-1.7 93,-2.1 -2,-0.3 2,-0.3 -0.783 24.7-102.1-111.6 163.7 -33.4 2.6 4.7 72 72 C W E -c 164 0B 51 -2,-0.3 2,-0.5 91,-0.2 93,-0.2 -0.663 31.5-155.9 -81.5 136.2 -31.8 -0.8 5.3 73 73 C D > - 0 0 17 91,-2.6 4,-2.3 -2,-0.3 5,-0.2 -0.956 9.3-159.8-119.3 119.7 -31.3 -2.9 2.1 74 74 C A H > S+ 0 0 77 -2,-0.5 4,-2.3 1,-0.2 5,-0.1 0.858 92.3 52.7 -66.5 -37.4 -31.1 -6.6 2.5 75 75 C E H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 110.8 46.3 -64.4 -47.6 -29.4 -7.1 -0.9 76 76 C L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 89,-0.2 0.912 113.2 51.5 -57.4 -41.3 -26.6 -4.6 -0.0 77 77 C A H X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.895 107.2 52.6 -64.0 -40.1 -26.3 -6.2 3.4 78 78 C G H X S+ 0 0 36 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.881 111.1 46.3 -63.4 -41.6 -26.0 -9.7 1.9 79 79 C L H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.861 111.8 51.5 -69.7 -35.7 -23.2 -8.5 -0.4 80 80 C A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 87,-0.2 0.924 109.2 50.9 -64.5 -45.0 -21.4 -6.8 2.5 81 81 C K H X S+ 0 0 102 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.934 109.5 49.9 -57.4 -46.3 -21.6 -9.9 4.5 82 82 C R H >< S+ 0 0 51 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.901 108.3 54.3 -59.8 -41.4 -20.1 -12.0 1.7 83 83 C H H >< S+ 0 0 11 -4,-2.0 3,-2.2 1,-0.2 5,-0.5 0.912 101.2 58.6 -58.2 -43.9 -17.3 -9.4 1.4 84 84 C T H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.749 89.4 72.9 -63.1 -23.1 -16.4 -9.7 5.1 85 85 C K T << S+ 0 0 32 -4,-0.9 -62,-2.3 -3,-0.8 -1,-0.3 0.661 89.8 60.7 -65.3 -16.9 -15.8 -13.4 4.6 86 86 C G T < S- 0 0 26 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.623 97.1-143.3 -81.6 -15.0 -12.6 -12.4 2.8 87 87 C c < + 0 0 13 -3,-1.6 2,-0.4 -4,-0.3 -3,-0.1 0.689 64.9 110.8 61.0 22.3 -11.3 -10.7 6.0 88 88 C V - 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