==== 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/BLOOD CLOTTING 19-MAY-04 1TB6 . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.LI,D.J.JOHNSON,C.T.ESMON,J.A.HUNTINGTON . 714 5 8 3 5 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 20.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 49 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 1 2 3 0 0 3 1 1 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 0 0 0 1 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 . 5 4 2 5 3 4 1 1 0 2 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 0 1 0 1 0 2 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 1RL S 0 0 166 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.3 53.5 10.6 67.7 2 1QL E + 0 0 109 1,-0.3 2,-0.5 258,-0.0 258,-0.1 0.506 360.0 42.7-143.8 -48.1 52.0 12.2 64.6 3 1PL Y - 0 0 35 14,-0.1 2,-0.6 257,-0.1 -1,-0.3 -0.949 57.4-164.5-118.5 127.1 53.5 11.1 61.3 4 1OL Q - 0 0 85 -2,-0.5 13,-0.0 -3,-0.1 0, 0.0 -0.926 23.6-125.2-110.2 118.7 54.4 7.5 60.5 5 1NL T - 0 0 87 -2,-0.6 3,-0.1 1,-0.1 -1,-0.0 0.027 23.9-177.6 -53.3 165.3 56.6 6.9 57.5 6 1ML F + 0 0 93 1,-0.2 2,-0.2 160,-0.0 -1,-0.1 0.538 59.2 63.5-136.4 -37.7 55.6 4.5 54.6 7 1LL F S S- 0 0 7 6,-0.1 -1,-0.2 1,-0.0 9,-0.0 -0.658 88.3-105.2 -95.8 154.0 58.4 4.4 52.1 8 1KL N >> - 0 0 68 -2,-0.2 4,-1.9 1,-0.1 3,-1.1 -0.688 22.2-142.1 -79.9 117.7 61.9 2.9 52.8 9 1JL P H 3> S+ 0 0 90 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.645 95.4 73.9 -52.6 -16.6 64.3 5.9 53.2 10 1IL R H 34 S+ 0 0 141 1,-0.2 4,-0.1 2,-0.2 -3,-0.0 0.970 115.8 16.0 -62.1 -54.2 66.9 3.7 51.4 11 1HL T H <4 S+ 0 0 7 -3,-1.1 -1,-0.2 1,-0.1 289,-0.1 0.528 130.7 51.1 -97.7 -10.2 65.1 4.1 48.0 12 1GL F H < S- 0 0 3 -4,-1.9 68,-0.5 1,-0.2 69,-0.3 0.755 96.5-139.7 -98.1 -31.3 63.0 7.1 48.9 13 1FL G < - 0 0 5 -4,-1.3 3,-0.4 -5,-0.3 -1,-0.2 -0.459 34.3 -43.8 98.5-175.0 65.5 9.5 50.3 14 1EL S S S+ 0 0 73 1,-0.2 65,-1.2 -2,-0.1 66,-0.2 -0.483 100.1 58.1 -90.8 161.9 65.3 11.8 53.3 15 1DL G + 0 0 16 63,-0.2 3,-0.3 -2,-0.2 4,-0.2 0.195 65.4 103.1 110.7 -18.1 62.5 14.1 54.3 16 1CL E S > S+ 0 0 10 -3,-0.4 3,-1.7 1,-0.2 -2,-0.1 0.928 79.4 58.6 -65.2 -42.0 59.5 12.0 54.7 17 1BL A T 3 S+ 0 0 66 1,-0.3 -1,-0.2 -12,-0.0 -14,-0.1 0.832 117.8 32.6 -54.2 -34.3 59.7 12.1 58.5 18 1AL D T > S+ 0 0 57 -3,-0.3 3,-1.2 144,-0.0 -1,-0.3 0.194 88.7 137.5-109.9 15.3 59.4 15.9 58.4 19 1 L a T < + 0 0 2 -3,-1.7 143,-0.2 1,-0.2 -3,-0.1 -0.277 62.5 28.4 -61.2 144.9 57.2 16.1 55.3 20 2 L G T 3 S+ 0 0 0 141,-2.3 243,-1.2 242,-0.2 2,-0.7 0.350 87.6 109.0 89.8 -7.9 54.4 18.7 55.5 21 3 L L < - 0 0 25 -3,-1.2 -1,-0.1 140,-0.3 241,-0.1 -0.859 59.9-144.3-110.9 103.6 55.9 21.2 57.9 22 4 L R > > - 0 0 0 -2,-0.7 3,-1.8 1,-0.1 5,-1.7 -0.408 8.9-138.1 -67.3 129.2 56.8 24.5 56.3 23 5 L P T 3 5S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.821 104.0 42.5 -54.7 -36.2 60.0 26.1 57.7 24 6 L L T 3 5S+ 0 0 32 133,-0.4 -2,-0.1 30,-0.3 31,-0.1 0.246 127.6 23.1 -97.8 12.6 58.4 29.6 57.6 25 7 L F T X >S+ 0 0 11 -3,-1.8 3,-4.7 29,-0.1 5,-1.6 0.139 122.0 24.6-137.1-104.3 55.0 28.5 59.0 26 8 L E G > 5S+ 0 0 28 1,-0.3 3,-1.7 3,-0.2 -5,-0.1 0.850 124.1 53.9 -36.7 -48.0 54.0 25.5 61.1 27 9 L K G 3 - 0 0 10 -2,-0.3 3,-1.1 23,-0.1 4,-0.5 -0.500 40.0 -91.4 -89.9 166.6 49.4 31.9 56.1 33 14AL K T 3 S+ 0 0 130 1,-0.2 4,-0.1 -2,-0.2 3,-0.1 0.760 117.6 21.7 -46.4 -35.4 46.6 34.3 55.0 34 14BL T T 3 S+ 0 0 40 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.222 83.6 100.3-128.3 22.2 44.1 31.6 54.0 35 14CL E S X> S+ 0 0 0 -3,-1.1 4,-1.5 1,-0.2 3,-0.7 0.791 85.3 60.7 -75.0 -23.1 44.8 28.2 55.7 36 14DL R H 3> S+ 0 0 62 -4,-0.5 4,-2.4 1,-0.3 -1,-0.2 0.874 94.8 63.2 -64.6 -37.0 42.1 29.1 58.2 37 14EL E H 3> S+ 0 0 42 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.782 103.4 50.0 -57.3 -27.9 39.8 29.2 55.1 38 14FL L H <> S+ 0 0 0 -3,-0.7 4,-0.5 -4,-0.5 141,-0.4 0.894 107.8 49.1 -79.4 -44.1 40.6 25.5 54.7 39 14GL L H >< S+ 0 0 68 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.894 105.5 59.2 -63.8 -39.4 39.9 24.4 58.3 40 14HL E H 3< S+ 0 0 144 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.886 101.0 55.4 -55.8 -40.9 36.5 26.2 58.3 41 14IL S H 3< S+ 0 0 24 -4,-0.8 2,-2.7 -5,-0.2 -1,-0.3 0.655 80.6 96.7 -68.0 -16.3 35.5 24.0 55.3 42 14JL Y << 0 0 28 -3,-1.5 -1,-0.2 -4,-0.5 136,-0.1 -0.375 360.0 360.0 -75.3 65.8 36.2 20.9 57.3 43 14KL I 0 0 161 -2,-2.7 -1,-0.1 134,-0.0 134,-0.0 -0.288 360.0 360.0 48.8 360.0 32.6 20.4 58.3 44 !* 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 45 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.5 45.6 29.9 38.3 46 17 H V B -A 243 0A 11 197,-3.3 197,-1.5 1,-0.2 143,-0.1 -0.861 360.0 -2.3 -99.3 123.9 42.3 31.8 37.6 47 18 H E S S+ 0 0 133 -2,-0.5 -1,-0.2 141,-0.4 194,-0.1 0.879 101.5 126.8 68.2 40.8 41.2 34.2 40.4 48 19 H G - 0 0 23 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.227 51.0-116.3-109.2-158.5 44.0 33.4 42.8 49 20 H S E -B 206 0B 76 157,-2.1 157,-1.2 -2,-0.1 2,-0.4 -0.970 35.1 -84.0-144.4 157.9 46.5 35.5 44.7 50 21 H D E -B 205 0B 105 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.463 54.8-125.5 -61.8 115.9 50.3 36.0 44.9 51 22 H A - 0 0 4 153,-2.7 2,-0.2 -2,-0.4 -1,-0.1 -0.173 26.0-107.1 -58.7 160.0 51.4 33.2 47.3 52 23 H E > - 0 0 62 1,-0.1 3,-2.0 -3,-0.1 4,-0.3 -0.519 47.6 -77.6 -86.5 161.5 53.4 34.2 50.3 53 24 H I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.378 117.7 2.1 -60.5 128.8 57.1 33.5 50.6 54 25 H G T 3 S+ 0 0 13 2,-0.1 -30,-0.3 -2,-0.1 -1,-0.3 0.579 91.0 128.6 70.1 10.7 57.7 29.9 51.5 55 26 H M S < S+ 0 0 8 -3,-2.0 -2,-0.1 1,-0.3 -33,-0.1 0.764 83.8 23.9 -67.6 -26.3 53.9 29.2 51.5 56 27 H S > + 0 0 15 -4,-0.3 3,-1.9 102,-0.1 -1,-0.3 -0.528 69.6 168.6-140.8 69.7 54.5 26.2 49.2 57 28 H P T 3 S+ 0 0 2 0, 0.0 103,-2.5 0, 0.0 51,-0.1 0.469 76.3 58.0 -63.4 -4.0 58.1 25.0 49.6 58 29 H W T 3 S+ 0 0 3 101,-0.2 18,-1.2 103,-0.1 104,-0.1 0.477 73.9 122.1-104.2 -6.0 57.4 21.8 47.7 59 30 H Q E < -J 75 0C 3 -3,-1.9 49,-1.0 16,-0.2 50,-0.4 -0.380 44.9-165.1 -60.9 127.7 56.3 23.5 44.5 60 31 H V E -JK 74 107C 0 14,-3.3 14,-1.3 47,-0.2 2,-0.5 -0.953 13.0-143.4-121.6 139.2 58.5 22.4 41.6 61 32 H M E -JK 73 106C 0 45,-2.6 45,-2.1 -2,-0.4 2,-0.6 -0.891 15.9-149.2-102.7 120.7 58.8 24.1 38.2 62 33 H L E -JK 72 105C 0 10,-2.7 9,-3.0 -2,-0.5 10,-1.2 -0.814 17.8-175.4 -99.5 117.8 59.3 21.7 35.2 63 34 H F E -JK 70 104C 25 41,-2.9 41,-1.3 -2,-0.6 2,-0.5 -0.802 28.2-130.9-113.5 151.9 61.3 22.8 32.2 64 35 H R E > -JK 69 103C 65 5,-1.9 5,-1.0 -2,-0.3 39,-0.2 -0.820 29.1-135.3 -91.1 132.5 62.1 21.4 28.8 65 36 H K T 5S+ 0 0 62 37,-3.4 3,-0.3 -2,-0.5 -1,-0.1 0.922 77.6 45.5 -57.7 -52.7 65.9 21.9 28.4 66 36AH S T 5S+ 0 0 105 1,-0.4 -1,-0.2 36,-0.3 2,-0.1 -0.910 119.4 21.6-155.6 122.7 66.1 23.2 24.9 67 37 H P T 5S- 0 0 80 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.494 106.5-127.6 -67.4 144.5 64.4 25.2 23.7 68 38 H Q T 5 + 0 0 118 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.443 44.9 150.0 -66.8 133.5 63.9 26.3 27.3 69 39 H E E < -J 64 0C 71 -5,-1.0 -5,-1.9 -2,-0.2 2,-0.5 -0.971 50.2-108.6-162.0 146.2 60.2 26.6 28.3 70 40 H L E +J 63 0C 20 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.680 39.8 169.3 -77.5 124.0 58.0 26.2 31.3 71 41 H L E - 0 0 7 -9,-3.0 611,-3.0 -2,-0.5 2,-0.2 0.872 50.9 -29.5 -99.9 -54.4 56.0 23.1 30.8 72 42 H b E -J 62 0C 1 -10,-1.2 -10,-2.7 609,-0.2 -1,-0.3 -0.839 54.5 -97.6-151.7-176.8 54.3 22.2 34.1 73 43 H G E +J 61 0C 2 176,-3.1 12,-0.4 -2,-0.2 2,-0.3 -0.558 36.7 175.4-104.4 174.6 54.2 22.3 37.8 74 44 H A E -J 60 0C 0 -14,-1.3 -14,-3.3 -2,-0.2 2,-0.3 -0.957 20.5-120.0-169.1 168.6 55.3 19.4 40.1 75 45 H S E -JL 59 83C 0 8,-2.5 8,-2.5 -2,-0.3 2,-0.6 -0.921 13.5-127.1-128.1 154.8 55.8 18.6 43.8 76 46 H L E + L 0 82C 0 -18,-1.2 86,-2.7 -2,-0.3 6,-0.2 -0.855 28.1 167.0 -98.9 120.0 58.6 17.4 46.0 77 47 H I S S- 0 0 3 4,-1.7 2,-0.3 -2,-0.6 87,-0.1 0.442 70.8 -6.1-111.7 -2.9 57.9 14.3 48.0 78 48 H S S S- 0 0 0 3,-0.9 -63,-0.2 -63,-0.1 -65,-0.1 -0.906 86.9 -81.8-167.6-172.1 61.4 13.6 49.2 79 49 H D S S+ 0 0 15 -65,-1.2 74,-2.6 -2,-0.3 -66,-0.1 0.478 126.8 25.4 -88.9 1.2 64.9 14.9 48.6 80 50 H R S S+ 0 0 68 -68,-0.5 69,-2.9 72,-0.2 2,-0.4 0.523 108.9 71.8-135.4 -14.5 65.2 12.8 45.4 81 51 H W E - M 0 148C 0 -69,-0.3 -4,-1.7 67,-0.2 -3,-0.9 -0.889 49.8-171.9-114.0 140.4 61.8 12.2 44.0 82 52 H V E -LM 76 147C 0 65,-2.6 65,-2.2 -2,-0.4 2,-0.3 -0.979 12.1-148.9-125.9 137.6 59.4 14.6 42.3 83 53 H L E +LM 75 146C 0 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.3 -0.802 28.3 149.0-105.6 146.1 55.8 13.8 41.4 84 54 H T E - 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