==== 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 HYDROLASE/HYDROLASE INHIBITOR 20-DEC-99 1DX5 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.FUENTES-PRIOR,Y.IWANAGA,R.HUBER,R.PAGILA,G.RUMENNIK,M.SETO . 1660 16 52 48 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 82192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 965 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 430 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 1.2 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 . 158 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.2 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 4 0 6 6 0 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 16 19 12 29 12 8 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 . 16 8 0 0 0 4 0 4 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 1HA T > 0 0 138 0, 0.0 3,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 178.5 -1.5 74.0 11.0 2 1GA F T 3 + 0 0 24 1,-0.2 889,-0.1 885,-0.1 668,-0.0 -0.646 360.0 17.8 -86.0 140.1 0.8 71.4 9.4 3 1FA G T 3 S+ 0 0 29 -2,-0.3 -1,-0.2 1,-0.0 884,-0.1 0.641 81.9 128.1 77.3 15.8 2.5 68.7 11.5 4 1EA S S < S- 0 0 62 -3,-0.8 -2,-0.1 754,-0.0 754,-0.0 0.770 73.8-122.9 -73.0 -27.2 -0.0 69.2 14.3 5 1DA G S S+ 0 0 25 1274,-0.0 1274,-0.1 752,-0.0 -3,-0.1 0.563 90.9 94.5 93.4 11.1 -0.8 65.5 14.4 6 1CA E + 0 0 74 -5,-0.2 -4,-0.1 1273,-0.1 0, 0.0 0.574 54.7 106.6-107.7 -16.4 -4.6 66.1 13.8 7 1BA A S S- 0 0 64 -6,-0.1 2,-1.3 1,-0.1 -5,-0.0 -0.259 79.2-111.3 -65.0 150.0 -4.7 65.7 10.0 8 1AA D + 0 0 78 2,-0.0 2,-0.3 747,-0.0 -1,-0.1 -0.699 66.9 132.0 -86.8 93.8 -6.2 62.5 8.5 9 1 A a + 0 0 15 -2,-1.3 745,-0.2 1,-0.1 3,-0.1 -0.823 42.6 40.7-134.1 169.0 -3.1 60.9 7.0 10 2 A G S S+ 0 0 0 743,-2.1 845,-1.5 -2,-0.3 2,-0.5 0.432 80.5 110.7 73.0 -0.6 -1.6 57.4 7.0 11 3 A L - 0 0 26 742,-0.3 -1,-0.1 843,-0.2 843,-0.1 -0.947 61.0-140.1-111.7 121.8 -4.8 55.4 6.6 12 4 A R > > - 0 0 0 -2,-0.5 5,-2.2 1,-0.1 3,-1.5 -0.712 4.6-143.5 -84.5 127.0 -5.3 53.7 3.2 13 5 A P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 736,-0.1 0.917 103.3 44.3 -51.8 -46.2 -8.8 53.7 1.7 14 6 A L T 3 5S+ 0 0 25 735,-0.5 633,-0.1 632,-0.2 735,-0.0 0.458 129.0 22.1 -80.8 -1.8 -8.3 50.2 0.3 15 7 A F T X >S+ 0 0 14 -3,-1.5 5,-3.4 631,-0.1 3,-0.7 0.547 127.8 21.6-127.3 -84.7 -6.8 48.8 3.5 16 8 A E G > 5S+ 0 0 28 1,-0.2 3,-1.4 3,-0.2 -2,-0.1 0.907 122.6 56.2 -58.5 -43.3 -7.2 50.3 7.0 17 9 A K G 3 - 0 0 9 -2,-0.4 3,-0.6 625,-0.1 4,-0.4 -0.308 35.6 -93.8 -80.0 171.8 -2.0 44.0 2.8 23 14AA K T 3 S+ 0 0 136 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.823 116.6 22.6 -52.2 -47.0 0.2 40.9 2.1 24 14BA T T >> S+ 0 0 39 1,-0.1 4,-0.7 2,-0.1 3,-0.7 0.228 87.5 106.7-112.5 12.1 3.4 41.7 4.2 25 14CA E H X> S+ 0 0 9 -3,-0.6 4,-1.4 1,-0.2 3,-0.6 0.832 76.3 60.0 -58.3 -35.6 2.0 44.2 6.7 26 14DA R H 3> S+ 0 0 171 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.845 94.5 64.5 -64.1 -33.9 2.2 41.5 9.4 27 14EA E H <> S+ 0 0 38 -3,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.833 103.7 45.6 -57.8 -38.1 6.0 41.3 8.9 28 14FA L H < S+ 0 0 87 -4,-1.4 3,-0.9 1,-0.2 4,-0.5 0.878 109.0 52.6 -65.7 -39.1 4.3 44.4 13.1 30 14HA E H >< S+ 0 0 103 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.720 98.3 65.4 -70.8 -20.5 6.1 41.2 14.0 31 14IA S H 3< S+ 0 0 22 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.715 90.3 66.3 -74.2 -19.8 9.5 43.1 13.9 32 14JA Y T << S+ 0 0 22 -3,-0.9 2,-0.6 -4,-0.5 -1,-0.2 0.793 75.5 98.1 -70.2 -30.3 8.4 45.3 16.9 33 14KA I < - 0 0 133 -3,-0.5 2,-0.3 -4,-0.5 -3,-0.0 -0.485 68.3-152.0 -65.0 109.7 8.4 42.3 19.2 34 14LA D - 0 0 96 -2,-0.6 2,-0.6 1,-0.0 -2,-0.1 -0.632 12.6-119.2 -88.6 144.1 11.7 42.5 21.1 35 14MA G 0 0 82 -2,-0.3 -1,-0.0 1,-0.0 -2,-0.0 -0.727 360.0 360.0 -85.6 121.2 13.5 39.5 22.5 36 15 A R 0 0 320 -2,-0.6 -1,-0.0 0, 0.0 0, 0.0 -0.159 360.0 360.0 -79.7 360.0 14.1 39.7 26.2 37 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 1HB T > 0 0 138 0, 0.0 3,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 106.3 7.1 77.0 19.8 39 1GB F T 3 + 0 0 26 1,-0.2 1112,-0.1 1108,-0.1 891,-0.1 -0.641 360.0 15.0 -83.5 137.9 7.9 76.4 23.5 40 1FB G T 3 S+ 0 0 31 -2,-0.3 -1,-0.2 1,-0.0 1107,-0.1 0.736 82.7 127.5 74.4 23.0 6.1 73.7 25.4 41 1EB S S < S- 0 0 58 -3,-0.8 -2,-0.1 977,-0.0 -1,-0.0 0.764 75.6-121.2 -79.3 -26.4 4.8 72.1 22.2 42 1DB G S S+ 0 0 25 717,-0.0 717,-0.1 976,-0.0 -3,-0.1 0.541 92.8 93.8 95.8 10.4 6.1 68.7 23.2 43 1CB E + 0 0 71 -5,-0.3 -4,-0.1 716,-0.1 0, 0.0 0.536 54.4 109.6-109.1 -11.9 8.3 68.3 20.2 44 1BB A S S- 0 0 62 -6,-0.2 2,-1.4 1,-0.1 -5,-0.0 -0.254 77.6-113.2 -64.7 151.6 11.6 69.7 21.6 45 1AB D + 0 0 82 2,-0.0 2,-0.2 970,-0.0 -1,-0.1 -0.690 66.0 133.6 -90.9 88.1 14.5 67.4 22.3 46 1 B b + 0 0 14 -2,-1.4 968,-0.2 1,-0.1 3,-0.1 -0.766 42.0 40.0-128.3 168.3 14.7 67.6 26.0 47 2 B G S S+ 0 0 0 966,-2.1 1068,-1.1 -2,-0.2 2,-0.6 0.365 79.7 110.2 76.4 -5.5 15.0 65.1 28.9 48 3 B L - 0 0 25 965,-0.3 -1,-0.1 1066,-0.2 1066,-0.1 -0.926 60.6-142.0-108.3 121.4 17.5 62.8 27.3 49 4 B R > > - 0 0 0 -2,-0.6 5,-2.0 1,-0.1 3,-1.4 -0.725 5.8-141.9 -86.4 129.0 21.0 62.9 28.9 50 5 B P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 959,-0.1 0.852 102.8 45.5 -54.2 -39.9 24.0 62.5 26.6 51 6 B L T 3 5S+ 0 0 26 958,-0.5 856,-0.1 855,-0.3 958,-0.1 0.497 129.1 19.6 -85.6 -4.4 25.9 60.4 29.1 52 7 B F T X >S+ 0 0 14 -3,-1.4 5,-2.9 854,-0.1 3,-1.4 0.525 126.9 25.6-126.3 -87.2 23.0 58.1 29.9 53 8 B E G > 5S+ 0 0 28 1,-0.3 3,-1.9 3,-0.2 -5,-0.1 0.917 121.5 55.0 -50.1 -49.4 19.9 57.7 27.7 54 9 B K G 3 - 0 0 9 -2,-0.3 3,-0.7 848,-0.1 4,-0.4 -0.381 35.7 -91.2 -83.7 170.5 22.5 55.7 36.4 60 14AB K T 3 S+ 0 0 135 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.784 117.2 19.3 -46.2 -49.1 22.9 54.2 39.9 61 14BB T T >> S+ 0 0 37 1,-0.1 4,-0.8 2,-0.1 3,-0.6 0.214 88.3 107.1-116.1 13.1 19.4 54.8 41.3 62 14CB E H X> S+ 0 0 12 -3,-0.7 4,-1.5 1,-0.2 3,-0.8 0.864 76.4 60.0 -58.4 -40.2 17.3 55.3 38.2 63 14DB R H 3> S+ 0 0 168 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.848 95.7 64.3 -58.3 -34.2 15.7 51.8 38.6 64 14EB E H <> S+ 0 0 44 -3,-0.6 4,-0.6 1,-0.2 -1,-0.2 0.859 102.9 46.2 -56.9 -42.3 14.4 52.9 42.0 65 14FB L H << S+ 0 0 1 -4,-0.8 4,-0.5 -3,-0.8 966,-0.4 0.866 112.2 50.6 -68.7 -41.1 12.2 55.6 40.4 66 14GB L H >X S+ 0 0 78 -4,-1.5 3,-1.6 1,-0.2 4,-0.5 0.935 107.7 53.5 -63.2 -46.9 10.9 53.2 37.8 67 14HB E H 3< S+ 0 0 99 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.681 97.2 66.4 -63.6 -18.7 10.0 50.6 40.4 68 14IB S T 3< S+ 0 0 20 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.705 90.1 65.8 -76.0 -18.7 7.9 53.2 42.4 69 14JB Y T <4 S+ 0 0 24 -3,-1.6 2,-0.5 -4,-0.5 -1,-0.2 0.838 75.6 97.4 -69.4 -35.3 5.4 53.3 39.5 70 14KB I < - 0 0 131 -4,-0.5 2,-0.2 -3,-0.3 -3,-0.0 -0.420 69.0-151.3 -61.0 108.9 4.3 49.7 40.0 71 14LB D - 0 0 98 -2,-0.5 2,-0.6 1,-0.0 -2,-0.1 -0.598 12.4-118.2 -87.4 146.3 1.1 50.0 42.1 72 14MB G 0 0 80 -2,-0.2 -1,-0.0 1,-0.0 -2,-0.0 -0.741 360.0 360.0 -86.8 121.4 -0.1 47.3 44.5 73 15 B R 0 0 319 -2,-0.6 -1,-0.0 0, 0.0 0, 0.0 -0.155 360.0 360.0 -79.4 360.0 -3.4 45.8 43.6 74 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 75 1HC T 0 0 151 0, 0.0 3,-0.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 117.4 -5.3 77.8 22.2 76 1GC F + 0 0 28 1,-0.2 2,-0.9 1331,-0.1 3,-0.5 0.950 360.0 37.1 -82.8 -59.7 -8.7 76.1 22.5 77 1FC G S S+ 0 0 35 1,-0.2 -1,-0.2 2,-0.1 1330,-0.0 -0.400 78.6 116.8 -93.9 58.1 -8.1 72.6 21.1 78 1EC S S S- 0 0 51 -2,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 0.724 77.5-124.4 -93.5 -23.9 -4.6 72.0 22.3 79 1DC G S S+ 0 0 27 -3,-0.5 940,-0.1 940,-0.0 -2,-0.1 0.579 90.8 96.6 87.5 12.7 -5.4 69.1 24.6 80 1CC E + 0 0 68 -4,-0.1 -3,-0.1 -5,-0.1 -4,-0.0 0.576 51.8 106.6-107.8 -16.8 -3.9 70.9 27.5 81 1BC A S S- 0 0 55 -5,-0.3 2,-1.5 1,-0.1 -5,-0.0 -0.322 79.1-112.1 -66.9 147.1 -7.0 72.4 29.1 82 1AC D + 0 0 82 2,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.625 66.3 135.2 -83.1 90.0 -8.3 71.0 32.4 83 1 C c + 0 0 15 -2,-1.5 1191,-0.2 1,-0.1 1192,-0.1 -0.805 41.5 37.2-130.9 167.5 -11.6 69.4 31.1 84 2 C G S S+ 0 0 0 1189,-2.3 1291,-1.6 -2,-0.3 2,-0.6 0.461 80.3 112.3 71.8 2.7 -13.5 66.2 31.5 85 3 C L - 0 0 27 1188,-0.3 -1,-0.1 1289,-0.2 1289,-0.1 -0.952 60.6-140.1-112.6 118.9 -12.7 65.6 35.2 86 4 C R > > - 0 0 0 -2,-0.6 5,-2.1 1,-0.1 3,-1.5 -0.681 4.6-143.5 -82.9 126.6 -15.7 65.9 37.5 87 5 C P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 1182,-0.1 0.900 103.1 44.6 -50.5 -45.8 -15.2 67.6 40.9 88 6 C L T 3 5S+ 0 0 25 1181,-0.5 1079,-0.1 1078,-0.2 1181,-0.0 0.475 129.0 21.0 -81.9 -2.9 -17.6 65.2 42.6 89 7 C F T X >S+ 0 0 13 -3,-1.5 5,-2.8 1077,-0.1 3,-0.8 0.539 128.5 23.1-127.8 -85.1 -16.2 62.1 41.0 90 8 C E G > 5S+ 0 0 31 1,-0.2 3,-1.7 3,-0.2 -2,-0.1 0.931 123.3 54.8 -55.1 -46.3 -12.7 61.8 39.4 91 9 C K G 3 - 0 0 9 -2,-0.3 3,-0.7 1071,-0.1 4,-0.4 -0.354 35.2 -93.1 -84.1 171.5 -20.5 56.9 39.6 97 14AC K T 3 S+ 0 0 138 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.793 116.3 20.1 -51.2 -44.8 -23.1 54.1 39.4 98 14BC T T >> S+ 0 0 38 1,-0.1 4,-0.7 2,-0.1 3,-0.6 0.196 87.9 107.3-117.9 14.1 -22.8 52.9 35.8 99 14CC E H X> S+ 0 0 12 -3,-0.7 4,-1.4 1,-0.2 3,-0.9 0.854 75.7 61.0 -58.9 -38.1 -19.3 54.1 34.9 100 14DC R H 3> S+ 0 0 173 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.854 94.8 64.2 -59.1 -34.3 -17.9 50.6 35.1 101 14EC E H <> S+ 0 0 39 -3,-0.6 4,-0.7 1,-0.2 -1,-0.2 0.812 102.7 46.7 -58.6 -36.7 -20.3 49.5 32.3 102 14FC L H << S+ 0 0 1 -3,-0.9 1189,-0.4 -4,-0.7 4,-0.4 0.872 112.2 49.9 -74.8 -38.8 -18.6 51.9 29.8 103 14GC L H >< S+ 0 0 94 -4,-1.4 3,-1.1 1,-0.2 4,-0.5 0.884 108.4 53.4 -66.9 -40.6 -15.1 50.7 30.8 104 14HC E H >< S+ 0 0 105 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.719 97.9 65.1 -68.3 -21.7 -16.1 47.0 30.4 105 14IC S T 3< S+ 0 0 20 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.689 90.4 66.6 -74.9 -17.1 -17.4 47.7 26.9 106 14JC Y T < S+ 0 0 25 -3,-1.1 2,-0.5 -4,-0.4 -1,-0.2 0.800 76.1 98.2 -71.9 -29.6 -13.8 48.5 25.8 107 14KC I < - 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