==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-JUN-12 4AX9 . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,A.D'ARCY,F.K.WINKLER,K.HILPERT,S.SPINELLI,C.CAMBI . 287 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13378.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 27.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 4 0 4 3 2 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 . 1 0 0 0 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 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 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 130.3 4.3 -8.2 19.3 2 17 H V B +A 193 0A 10 191,-2.7 191,-1.3 1,-0.2 143,-0.1 -0.844 360.0 0.6-101.1 133.1 2.3 -10.8 21.2 3 18 H E S S+ 0 0 131 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.839 100.7 125.8 60.2 36.4 -1.2 -9.9 22.5 4 19 H G - 0 0 30 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.238 52.7-123.8-100.8-161.7 -1.0 -6.3 21.2 5 20 H S E -B 156 0B 58 151,-2.0 151,-2.5 -2,-0.1 2,-0.1 -0.889 36.4 -75.9-139.3 168.2 -3.4 -4.3 19.0 6 21 H D E -B 155 0B 101 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.469 51.7-120.4 -65.4 138.8 -3.1 -2.5 15.7 7 22 H A - 0 0 6 147,-2.9 2,-0.2 -2,-0.1 -1,-0.1 -0.410 24.4-113.2 -70.7 153.5 -1.5 0.9 16.0 8 23 H E > - 0 0 42 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.570 46.4 -83.6 -78.8 156.4 -3.4 4.0 15.1 9 24 H I T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.405 116.6 5.7 -58.6 128.4 -2.1 6.0 12.1 10 25 H G T 3 S+ 0 0 12 55,-0.1 261,-0.3 104,-0.1 -1,-0.3 0.601 91.3 126.7 74.8 11.4 0.8 8.3 13.2 11 26 H M S < S+ 0 0 7 -3,-2.0 -2,-0.1 1,-0.3 268,-0.1 0.778 83.7 22.3 -71.2 -26.4 0.7 6.8 16.8 12 27 H S > + 0 0 12 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.590 69.8 166.2-141.5 67.8 4.5 6.0 16.7 13 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.5 0, 0.0 51,-0.2 0.585 75.0 61.0 -74.9 -5.8 6.0 8.4 14.1 14 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.418 77.1 120.5 -89.9 -2.2 9.6 7.6 15.3 15 30 H Q E < -J 31 0C 3 -3,-2.1 49,-0.9 16,-0.2 2,-0.4 -0.420 44.0-170.4 -68.9 135.6 9.2 3.9 14.5 16 31 H V E -JK 30 63C 0 14,-2.1 14,-1.1 47,-0.2 2,-0.5 -0.970 15.0-143.2-128.9 140.3 11.7 2.7 12.0 17 32 H M E -JK 29 62C 0 45,-2.7 45,-2.3 -2,-0.4 2,-0.6 -0.923 8.9-146.6-105.5 127.8 11.9 -0.6 10.1 18 33 H L E -JK 28 61C 0 10,-2.9 9,-3.4 -2,-0.5 10,-1.2 -0.865 25.5-171.9 -88.6 121.2 15.3 -2.2 9.5 19 34 H F E -JK 26 60C 0 41,-2.6 41,-2.6 -2,-0.6 2,-0.2 -0.965 19.9-132.1-128.9 124.6 15.0 -3.9 6.1 20 35 H R E > -JK 25 59C 77 5,-3.2 5,-0.9 -2,-0.5 39,-0.2 -0.559 10.9-144.5 -75.4 137.9 17.5 -6.2 4.5 21 36 H K T 5S+ 0 0 43 37,-2.4 -1,-0.1 1,-0.3 38,-0.1 0.956 79.8 47.7 -68.4 -52.0 18.3 -5.5 0.8 22 36AH S T 5S+ 0 0 99 36,-0.4 -1,-0.3 1,-0.3 2,-0.2 -0.942 120.8 19.6-147.3 119.7 18.7 -9.1 -0.4 23 37 H P T 5S- 0 0 75 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.645 103.9-119.8 -65.9 158.9 16.8 -11.2 0.4 24 38 H Q T 5 + 0 0 43 -2,-0.2 2,-0.3 -3,-0.1 230,-0.3 -0.583 57.2 140.5 -71.7 110.3 14.1 -8.6 1.1 25 39 H E E < -J 20 0C 73 -5,-0.9 -5,-3.2 -2,-0.7 2,-0.5 -0.997 58.1-102.6-152.3 154.9 13.2 -9.1 4.8 26 40 H L E +J 19 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.659 36.1 176.6 -71.3 123.2 12.4 -7.3 8.0 27 41 H L E - 0 0 24 -9,-3.4 2,-0.3 -2,-0.5 170,-0.2 0.846 53.3 -44.6 -94.7 -41.7 15.5 -7.4 10.2 28 42 H a E -J 18 0C 4 -10,-1.2 -10,-2.9 170,-0.1 -1,-0.4 -0.970 54.7 -90.9-176.6 164.8 14.5 -5.4 13.3 29 43 H G E +J 17 0C 1 170,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.431 40.4 170.6 -85.5 175.3 12.8 -2.3 14.7 30 44 H A E -J 16 0C 0 -14,-1.1 -14,-2.1 -2,-0.1 2,-0.3 -0.913 22.4-120.9-169.0 177.2 14.7 0.9 15.3 31 45 H S E -JL 15 39C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.6 -0.992 12.9-123.2-141.6 152.5 13.8 4.5 16.2 32 46 H L E + L 0 38C 0 -18,-2.2 86,-2.1 -2,-0.3 6,-0.2 -0.806 29.3 168.7 -94.9 118.2 14.2 8.0 14.8 33 47 H I - 0 0 22 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.515 68.1 -10.5-108.1 -9.3 16.0 10.4 17.2 34 48 H S S S- 0 0 35 3,-1.1 3,-0.4 85,-0.1 -1,-0.2 -0.924 91.2 -72.0-164.2-172.8 16.7 13.3 14.8 35 49 H D S S+ 0 0 51 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.666 129.9 18.6 -68.3 -15.8 16.6 14.1 11.1 36 50 H R S S+ 0 0 99 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.327 107.0 82.7-137.2 13.1 19.7 11.9 10.5 37 51 H W E - M 0 104C 10 -3,-0.4 -4,-2.2 67,-0.2 -3,-1.1 -0.980 47.4-171.3-125.4 136.3 20.2 9.4 13.4 38 52 H V E -LM 32 103C 0 65,-2.3 65,-2.4 -2,-0.4 2,-0.4 -0.966 11.6-148.8-125.2 133.6 18.5 6.1 14.1 39 53 H L E +LM 31 102C 0 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.2 -0.880 29.5 145.8-105.1 139.9 18.8 4.1 17.3 40 54 H T E - M 0 101C 0 61,-2.4 61,-2.2 -2,-0.4 2,-0.3 -0.840 50.2 -72.1-153.9-175.8 18.6 0.3 17.4 41 55 H A > - 0 0 0 -12,-0.4 3,-1.3 59,-0.2 4,-0.4 -0.723 33.0-136.0 -87.6 137.9 20.0 -2.8 19.2 42 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 3,-1.8 0.867 103.9 62.9 -58.7 -35.7 23.6 -3.8 18.4 43 57 H H G 34 S+ 0 0 21 1,-0.3 -1,-0.2 2,-0.2 156,-0.0 0.644 89.8 67.6 -70.7 -13.3 22.6 -7.4 18.1 44 58 H a G <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.740 117.2 25.3 -69.1 -26.2 20.3 -6.5 15.1 45 59 H L T <4 S+ 0 0 0 -3,-1.8 9,-3.1 -4,-0.4 2,-0.5 0.769 129.2 33.3-106.3 -38.4 23.6 -5.8 13.3 46 60 H L E < +P 53 0D 34 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.958 55.1 139.3-135.0 112.2 26.3 -7.9 14.9 47 60AH Y E > > -P 52 0D 53 5,-3.0 3,-2.0 -2,-0.5 5,-1.9 -0.536 22.6-172.7-151.5 81.6 25.8 -11.3 16.4 48 60BH P G > 5S+ 0 0 49 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.727 79.3 68.0 -51.2 -32.0 28.7 -13.7 15.6 49 60CH P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.766 111.4 35.9 -60.3 -25.6 27.1 -16.9 17.1 50 60DH W G < 5S- 0 0 187 -3,-2.0 3,-0.1 2,-0.1 -3,-0.0 0.058 118.6-111.5-105.9 20.6 24.5 -16.7 14.2 51 60EH D T < 5 + 0 0 156 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.826 66.6 153.2 49.1 37.6 27.1 -15.5 11.7 52 60FH K E < +P 47 0D 40 -5,-1.9 -5,-3.0 -9,-0.0 -1,-0.2 -0.855 5.9 143.9 -99.0 124.5 25.3 -12.1 11.7 53 60GH N E -P 46 0D 114 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.546 25.4-171.6-157.0 81.7 27.5 -9.1 10.8 54 60HH F - 0 0 26 -9,-3.1 2,-0.2 -2,-0.1 -2,-0.0 -0.535 4.7-157.5 -83.2 142.6 25.7 -6.5 8.7 55 60IH T > - 0 0 61 -2,-0.2 3,-1.9 1,-0.0 4,-0.5 -0.676 38.6 -91.3-108.0 172.4 27.4 -3.5 7.1 56 61 H E G > S+ 0 0 37 1,-0.3 3,-0.9 -2,-0.2 25,-0.5 0.831 124.0 53.5 -48.7 -39.2 26.0 -0.2 5.9 57 62 H N G 3 S+ 0 0 98 1,-0.2 -1,-0.3 23,-0.1 -36,-0.0 0.568 96.6 65.1 -80.8 -8.8 25.4 -1.5 2.4 58 63 H D G < S+ 0 0 62 -3,-1.9 -37,-2.4 -37,-0.1 -36,-0.4 0.616 101.7 53.6 -80.7 -14.2 23.4 -4.6 3.5 59 64 H L E < -K 20 0C 1 -3,-0.9 22,-0.5 -4,-0.5 2,-0.3 -0.847 52.9-163.9-131.9 155.0 20.5 -2.5 4.9 60 65 H L E -KN 19 80C 0 -41,-2.6 -41,-2.6 -2,-0.3 2,-0.4 -0.947 19.7-136.9-125.6 152.1 17.8 0.2 4.4 61 66 H V E -KN 18 79C 0 18,-2.5 18,-2.8 -2,-0.3 2,-0.5 -0.932 13.1-159.0-105.6 139.1 15.8 2.1 6.9 62 67 H R E -KN 17 78C 0 -45,-2.3 -45,-2.7 -2,-0.4 2,-0.3 -0.982 14.0-172.0-118.5 121.7 12.0 2.6 6.2 63 68 H I E +KN 16 77C 0 14,-3.0 14,-2.4 -2,-0.5 -47,-0.2 -0.887 59.2 27.9-121.1 143.7 10.5 5.5 8.1 64 69 H G S S+ 0 0 7 -49,-0.9 -1,-0.2 -2,-0.3 2,-0.1 0.636 84.0 150.9 84.6 14.7 6.8 6.6 8.4 65 70 H K + 0 0 14 -50,-0.4 -1,-0.2 -3,-0.2 -55,-0.1 -0.408 26.5 162.5 -84.1 159.6 5.4 3.1 7.8 66 71 H H + 0 0 43 1,-0.3 88,-2.1 4,-0.1 2,-0.2 0.473 64.8 66.9-132.7 -57.5 2.2 1.4 9.1 67 72 H S B S-Q 153 0E 21 86,-0.2 -1,-0.3 1,-0.1 86,-0.3 -0.507 74.5-141.8 -67.3 138.9 1.6 -1.6 6.8 68 73 H R S S+ 0 0 16 84,-2.2 -1,-0.1 -2,-0.2 85,-0.1 0.932 92.0 18.7 -64.6 -49.6 4.3 -4.3 7.4 69 74 H T S S+ 0 0 33 83,-0.4 186,-2.6 185,-0.1 -1,-0.1 0.667 99.5 95.5-105.1 -19.1 4.7 -5.4 3.7 70 75 H R S S- 0 0 99 184,-0.2 2,-0.8 1,-0.1 -4,-0.1 -0.412 74.0-122.1 -76.3 147.9 3.2 -2.7 1.5 71 76 H Y - 0 0 40 185,-0.1 2,-1.9 -2,-0.1 -1,-0.1 -0.847 28.9-145.9 -83.4 110.7 5.3 -0.0 -0.2 72 77 H E >> - 0 0 11 -2,-0.8 4,-2.4 -5,-0.1 3,-2.1 -0.549 17.2-153.1 -90.5 76.9 3.5 3.0 1.3 73 77AH R T 34 S+ 0 0 162 -2,-1.9 4,-0.1 1,-0.3 -3,-0.0 -0.224 74.1 8.4 -58.0 136.5 3.9 5.3 -1.6 74 78 H N T 34 S+ 0 0 142 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.450 129.5 60.2 72.6 2.0 3.9 9.1 -0.8 75 79 H I T <4 S+ 0 0 53 -3,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.682 90.2 57.5-122.5 -63.7 4.0 8.2 2.9 76 80 H E < - 0 0 4 -4,-2.4 2,-0.4 -14,-0.0 -2,-0.2 -0.340 64.0-149.4 -71.3 154.3 7.1 6.2 3.9 77 81 H K E -N 63 0C 94 -14,-2.4 -14,-3.0 -4,-0.1 2,-0.5 -0.993 6.4-152.7-120.9 133.2 10.7 7.4 3.2 78 82 H I E -N 62 0C 12 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.912 17.5-171.1-104.7 130.1 13.4 4.9 2.6 79 83 H S E -N 61 0C 16 -18,-2.8 -18,-2.5 -2,-0.5 2,-0.3 -0.935 17.4-136.3-124.2 150.2 17.0 5.9 3.5 80 84 H M E -N 60 0C 65 -2,-0.3 26,-2.9 -20,-0.2 2,-0.4 -0.662 28.9-115.3 -94.2 156.6 20.4 4.5 3.0 81 85 H L E -O 105 0C 2 -25,-0.5 24,-0.2 -22,-0.5 3,-0.1 -0.764 20.4-171.4 -96.5 138.8 23.0 4.4 5.8 82 86 H E E S- 0 0 87 22,-3.3 2,-0.3 -2,-0.4 23,-0.2 0.839 74.2 -6.5 -86.2 -46.4 26.2 6.3 5.8 83 87 H K E -O 104 0C 97 21,-1.2 21,-3.0 -27,-0.1 2,-0.4 -0.991 54.8-145.0-155.4 143.4 27.8 4.7 8.9 84 88 H I E -O 103 0C 17 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.923 14.1-164.6-105.7 135.6 26.9 2.2 11.7 85 89 H Y E -O 102 0C 36 17,-3.2 17,-2.9 -2,-0.4 2,-0.4 -0.984 4.3-169.1-123.6 120.8 28.3 2.7 15.2 86 90 H I E -O 101 0C 51 -2,-0.5 15,-0.2 15,-0.2 13,-0.1 -0.857 38.4 -95.1-107.3 141.9 28.1 -0.2 17.7 87 91 H H > - 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