==== 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 19-JUN-07 2V3O . COMPND 2 MOLECULE: THROMBIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,H.P.WESSEL . 283 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 60.4 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 27.6 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 0.4 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0.000 360.0 360.0 360.0 127.2 4.5 -8.3 19.0 2 17 H V B +A 193 0A 10 191,-2.7 191,-1.6 1,-0.2 143,-0.1 -0.840 360.0 0.1-102.4 133.0 2.4 -10.9 20.8 3 18 H E S S+ 0 0 131 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.814 101.9 120.1 61.0 35.8 -1.0 -10.0 22.2 4 19 H G - 0 0 31 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.207 55.7-118.3-104.8-157.6 -0.9 -6.4 21.0 5 20 H S E -B 156 0B 58 151,-2.2 151,-2.5 -2,-0.1 2,-0.2 -0.902 35.0 -77.3-139.5 165.0 -3.1 -4.4 18.7 6 21 H D E -B 155 0B 104 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.466 52.3-117.4 -61.0 134.7 -2.8 -2.5 15.4 7 22 H A - 0 0 7 147,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.341 24.7-115.9 -65.1 152.6 -1.2 0.9 15.7 8 23 H E > - 0 0 45 1,-0.1 3,-1.9 -2,-0.0 4,-0.3 -0.564 48.0 -80.5 -79.1 157.1 -3.1 4.0 14.9 9 24 H I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.415 117.6 4.3 -60.7 130.7 -1.9 6.1 12.0 10 25 H G T 3 S+ 0 0 12 -2,-0.1 256,-0.3 2,-0.1 -1,-0.3 0.665 91.1 128.9 67.0 18.0 1.0 8.3 13.1 11 26 H M S < S+ 0 0 6 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.795 83.2 23.4 -71.4 -30.3 1.0 6.7 16.6 12 27 H S S > S+ 0 0 10 -4,-0.3 3,-2.6 1,-0.1 -1,-0.3 -0.555 70.7 166.9-133.4 68.4 4.7 5.9 16.5 13 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.6 0, 0.0 51,-0.2 0.600 75.5 60.0 -72.8 -5.9 6.2 8.4 14.0 14 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 2,-0.1 0.408 77.6 124.1 -89.1 -5.8 9.8 7.6 15.1 15 30 H Q E < -J 31 0C 2 -3,-2.6 49,-0.9 16,-0.2 50,-0.4 -0.408 41.3-171.2 -63.3 130.2 9.3 3.9 14.1 16 31 H V E -JK 30 63C 0 14,-2.2 14,-1.2 47,-0.2 2,-0.5 -0.955 14.9-144.0-124.5 141.0 11.9 2.7 11.7 17 32 H M E -JK 29 62C 0 45,-2.9 45,-2.6 -2,-0.4 2,-0.7 -0.928 8.8-146.6-103.3 126.9 12.1 -0.5 9.8 18 33 H L E -JK 28 61C 1 10,-3.0 9,-2.9 -2,-0.5 10,-1.1 -0.854 25.4-167.7 -88.1 118.0 15.5 -2.1 9.2 19 34 H F E -JK 26 60C 2 41,-2.5 41,-2.5 -2,-0.7 2,-0.3 -0.921 17.7-137.8-122.7 125.1 15.1 -3.8 5.8 20 35 H R E > -JK 25 59C 76 5,-3.1 5,-1.3 -2,-0.5 39,-0.2 -0.652 10.1-149.9 -82.7 134.7 17.5 -6.3 4.3 21 36 H K T 5S+ 0 0 80 37,-2.4 3,-0.2 -2,-0.3 -1,-0.1 0.885 76.4 50.2 -72.7 -43.2 18.1 -5.7 0.6 22 36AH S T 5S+ 0 0 103 1,-0.5 -1,-0.3 36,-0.4 2,-0.2 -0.901 121.2 20.3-151.8 111.5 18.7 -9.3 -0.6 23 37 H P T 5S- 0 0 72 0, 0.0 2,-0.7 0, 0.0 -1,-0.5 0.631 105.2-122.7 -68.3 155.6 16.8 -11.3 0.2 24 38 H Q T 5 + 0 0 60 -3,-0.2 2,-0.3 -2,-0.2 -3,-0.2 -0.573 57.9 134.1 -69.0 110.7 14.2 -8.6 0.8 25 39 H E E < -J 20 0C 67 -5,-1.3 -5,-3.1 -2,-0.7 2,-0.5 -0.998 61.4 -93.8-157.3 157.1 13.1 -9.1 4.5 26 40 H L E +J 19 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.612 36.9 174.2 -68.7 122.7 12.4 -7.5 7.8 27 41 H L E - 0 0 27 -9,-2.9 2,-0.3 -2,-0.5 170,-0.2 0.860 55.4 -48.2 -92.8 -47.7 15.6 -7.5 9.9 28 42 H a E -J 18 0C 4 -10,-1.1 -10,-3.0 170,-0.1 -1,-0.4 -0.971 53.0 -91.5-170.7 173.2 14.6 -5.4 13.0 29 43 H G E +J 17 0C 2 170,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.415 39.0 171.1 -92.9 178.8 12.9 -2.3 14.3 30 44 H A E -J 16 0C 0 -14,-1.2 -14,-2.2 -2,-0.1 2,-0.3 -0.914 22.6-118.3-172.7 177.1 14.8 1.0 15.0 31 45 H S E -JL 15 39C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.6 -0.997 14.0-122.5-142.7 148.6 13.9 4.6 15.9 32 46 H L E + L 0 38C 0 -18,-2.2 86,-2.1 -2,-0.3 6,-0.2 -0.768 29.7 168.0 -89.0 123.3 14.4 8.0 14.5 33 47 H I - 0 0 23 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.532 69.5 -10.9-113.8 -9.1 16.2 10.3 16.9 34 48 H S S S- 0 0 37 3,-1.1 -1,-0.2 85,-0.1 75,-0.1 -0.918 87.3 -79.6-163.7-173.7 17.0 13.3 14.5 35 49 H D S S+ 0 0 75 -2,-0.3 74,-2.4 1,-0.2 72,-0.1 0.658 129.3 28.6 -69.2 -10.0 16.8 13.9 10.8 36 50 H R S S+ 0 0 74 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.502 108.1 71.9-127.7 -14.3 20.1 12.0 10.3 37 51 H W E - M 0 104C 12 67,-0.2 -4,-2.2 65,-0.0 -3,-1.1 -0.927 49.5-169.7-124.1 136.8 20.4 9.4 13.1 38 52 H V E -LM 32 103C 0 65,-2.3 65,-2.1 -2,-0.4 2,-0.4 -0.976 12.8-146.5-125.0 135.8 18.7 6.1 13.8 39 53 H L E +LM 31 102C 0 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.2 -0.832 30.8 144.1-103.8 137.0 18.9 4.1 17.0 40 54 H T E - M 0 101C 0 61,-2.4 61,-2.4 -2,-0.4 2,-0.4 -0.887 50.5 -72.4-153.5-177.5 18.7 0.2 17.1 41 55 H A > - 0 0 0 -12,-0.4 3,-1.4 59,-0.3 4,-0.4 -0.743 32.3-135.5 -87.2 132.5 20.1 -2.9 18.8 42 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.2 3,-2.3 0.881 103.9 63.2 -46.8 -41.6 23.7 -3.9 18.1 43 57 H H G 34 S+ 0 0 24 1,-0.3 -1,-0.2 2,-0.2 177,-0.0 0.711 90.2 66.8 -68.4 -19.6 22.6 -7.5 17.7 44 58 H a G <4 S+ 0 0 1 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.728 117.1 25.9 -62.9 -25.8 20.5 -6.6 14.7 45 59 H L T <4 S+ 0 0 2 -3,-2.3 9,-2.2 -4,-0.4 2,-0.4 0.694 129.0 33.5-110.6 -31.0 23.7 -5.8 12.9 46 60 H L E < +P 53 0D 35 -4,-2.4 -1,-0.3 7,-0.2 7,-0.2 -0.945 53.6 139.8-140.0 113.4 26.4 -7.9 14.5 47 60AH Y E > > -P 52 0D 54 5,-3.1 5,-1.9 -2,-0.4 3,-1.7 -0.564 19.5-176.7-149.4 80.1 25.9 -11.4 16.0 48 60BH P G > 5S+ 0 0 43 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.796 76.5 69.7 -50.7 -37.2 28.9 -13.7 15.2 49 60CH P G 3 5S+ 0 0 64 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.853 113.0 32.0 -54.4 -30.0 27.5 -16.8 16.8 50 60DH W G < 5S- 0 0 200 -3,-1.7 3,-0.1 2,-0.1 0, 0.0 0.095 118.7-108.6-109.5 21.3 24.9 -16.9 14.0 51 60EH D T < 5 + 0 0 151 -3,-2.4 2,-0.6 1,-0.2 -5,-0.0 0.811 65.2 154.2 51.6 37.8 27.3 -15.4 11.3 52 60FH K E < +P 47 0D 47 -5,-1.9 -5,-3.1 2,-0.0 -1,-0.2 -0.867 2.0 145.8 -93.3 117.3 25.3 -12.1 11.3 53 60GH N E -P 46 0D 123 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.534 24.8-169.7-150.7 79.6 27.5 -9.2 10.2 54 60HH F - 0 0 26 -9,-2.2 2,-0.2 -2,-0.1 -2,-0.0 -0.549 4.9-157.5 -77.3 131.7 25.6 -6.6 8.2 55 60IH T > - 0 0 67 -2,-0.3 3,-1.3 1,-0.0 4,-0.5 -0.540 36.7 -96.8 -95.2 167.2 27.5 -3.8 6.4 56 61 H E G > S+ 0 0 35 1,-0.2 3,-1.2 -2,-0.2 25,-0.4 0.899 122.6 54.1 -52.0 -43.5 26.0 -0.4 5.4 57 62 H N G 3 S+ 0 0 104 1,-0.2 -1,-0.2 23,-0.1 -36,-0.1 0.671 94.8 70.0 -71.8 -14.2 25.3 -1.6 1.9 58 63 H D G < S+ 0 0 63 -3,-1.3 -37,-2.4 -37,-0.1 -36,-0.4 0.707 101.6 40.7 -74.0 -20.1 23.3 -4.6 3.0 59 64 H L E < -K 20 0C 1 -3,-1.2 22,-0.5 -4,-0.5 2,-0.3 -0.876 56.4-151.9-137.2 162.7 20.4 -2.7 4.3 60 65 H L E -KN 19 80C 26 -41,-2.5 -41,-2.5 -2,-0.3 2,-0.4 -0.855 21.6-132.2-121.3 158.0 17.9 0.2 3.8 61 66 H V E -KN 18 79C 0 18,-2.7 18,-2.9 -2,-0.3 2,-0.5 -0.962 17.5-159.3-113.5 128.8 16.0 2.1 6.5 62 67 H R E -KN 17 78C 0 -45,-2.6 -45,-2.9 -2,-0.4 2,-0.3 -0.971 13.0-174.9-114.2 122.8 12.3 2.6 6.0 63 68 H I E +KN 16 77C 0 14,-2.8 14,-2.9 -2,-0.5 -47,-0.2 -0.876 58.9 28.9-124.5 145.7 10.6 5.4 7.9 64 69 H G S S+ 0 0 8 -49,-0.9 -1,-0.2 -2,-0.3 2,-0.1 0.578 83.0 151.9 81.7 14.0 7.0 6.5 8.2 65 70 H K + 0 0 11 -50,-0.4 -1,-0.2 -3,-0.2 -50,-0.1 -0.418 25.6 161.2 -81.6 151.8 5.6 3.0 7.6 66 71 H H + 0 0 42 1,-0.3 88,-2.7 -2,-0.1 -1,-0.2 0.521 66.3 65.4-125.2 -54.5 2.4 1.5 8.9 67 72 H S B S-Q 153 0E 17 86,-0.2 -1,-0.3 1,-0.1 86,-0.3 -0.460 73.3-144.4 -68.2 141.0 1.9 -1.5 6.6 68 73 H R S S+ 0 0 33 84,-2.5 -1,-0.1 83,-0.1 85,-0.1 0.947 91.9 19.6 -69.0 -52.7 4.6 -4.2 7.0 69 74 H T S S+ 0 0 49 83,-0.4 185,-2.9 184,-0.1 -1,-0.1 0.652 100.2 98.0-101.3 -19.0 4.8 -5.4 3.4 70 75 H R S S- 0 0 100 82,-0.3 2,-0.9 183,-0.2 -4,-0.1 -0.346 72.4-125.7 -73.7 148.0 3.4 -2.6 1.3 71 76 H Y - 0 0 49 184,-0.1 2,-1.9 -2,-0.1 -1,-0.1 -0.881 30.2-146.7 -85.5 108.7 5.4 0.0 -0.5 72 77 H E >> - 0 0 12 -2,-0.9 4,-2.3 -5,-0.1 3,-1.9 -0.528 15.5-151.2 -86.8 75.8 3.6 3.0 1.1 73 77AH R T 34 S+ 0 0 159 -2,-1.9 4,-0.1 1,-0.3 -3,-0.0 -0.156 74.7 9.1 -49.9 133.2 3.8 5.4 -1.8 74 78 H N T 34 S+ 0 0 139 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.542 129.7 58.0 72.9 8.6 3.8 9.2 -0.9 75 79 H I T <4 S+ 0 0 48 -3,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.599 87.5 59.3-131.4 -63.7 4.2 8.3 2.8 76 80 H E < - 0 0 3 -4,-2.3 2,-0.4 -14,-0.0 -1,-0.3 -0.416 65.4-147.0 -74.9 154.3 7.2 6.2 3.7 77 81 H K E -N 63 0C 87 -14,-2.9 -14,-2.8 -2,-0.1 2,-0.5 -0.984 3.8-148.7-120.3 136.4 10.7 7.4 3.0 78 82 H I E -N 62 0C 53 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.911 19.0-175.2-105.6 126.7 13.6 5.0 2.2 79 83 H S E -N 61 0C 16 -18,-2.9 -18,-2.7 -2,-0.5 2,-0.2 -0.932 17.1-135.9-124.0 146.5 17.1 6.0 3.3 80 84 H M E -N 60 0C 81 -2,-0.4 26,-2.2 -20,-0.2 2,-0.5 -0.563 28.0-108.8 -94.7 161.7 20.5 4.5 2.8 81 85 H L E -O 105 0C 2 -22,-0.5 24,-0.2 -25,-0.4 3,-0.1 -0.805 24.9-177.4 -97.0 129.6 23.1 4.1 5.5 82 86 H E E S- 0 0 82 22,-2.9 2,-0.3 -2,-0.5 23,-0.2 0.894 74.0 -10.4 -83.2 -48.2 26.3 6.3 5.5 83 87 H K E -O 104 0C 102 21,-1.3 21,-2.8 -27,-0.1 2,-0.4 -0.992 54.9-141.9-157.0 142.6 27.8 4.6 8.5 84 88 H I E -O 103 0C 18 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.855 13.8-167.1-102.2 142.5 27.1 2.1 11.4 85 89 H Y E -O 102 0C 37 17,-2.8 17,-2.8 -2,-0.4 2,-0.4 -0.935 4.7-169.7-134.1 108.4 28.4 2.6 14.9 86 90 H I E -O 101 0C 50 -2,-0.4 15,-0.2 15,-0.2 13,-0.1 -0.790 39.7 -94.5 -98.6 140.2 28.2 -0.3 17.3 87 91 H H > - 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