==== 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 18-JUN-07 2V3H . COMPND 2 MOLECULE: THROMBIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,U.OBST . 283 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 61.1 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 . 2 0.7 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 . 32 11.3 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 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.9 4.8 -8.3 19.0 2 17 H V B +A 193 0A 11 191,-2.8 191,-1.7 1,-0.2 143,-0.1 -0.806 360.0 0.7 -98.0 133.1 2.8 -11.0 20.8 3 18 H E S S+ 0 0 128 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.820 101.8 120.2 62.7 34.8 -0.7 -10.2 22.2 4 19 H G - 0 0 30 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.189 55.0-117.8-104.6-155.0 -0.6 -6.6 21.0 5 20 H S E -B 156 0B 59 151,-2.0 151,-2.5 -2,-0.1 2,-0.2 -0.910 35.1 -76.3-144.4 162.4 -2.9 -4.5 18.7 6 21 H D E -B 155 0B 109 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.485 51.8-118.4 -61.3 133.1 -2.7 -2.6 15.4 7 22 H A - 0 0 7 147,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.346 25.0-116.8 -60.9 146.6 -1.0 0.8 15.7 8 23 H E > - 0 0 39 1,-0.1 3,-1.9 -2,-0.0 4,-0.3 -0.552 47.3 -80.5 -76.3 156.8 -3.0 3.9 14.9 9 24 H I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.401 117.6 4.4 -59.3 130.6 -1.8 6.0 12.0 10 25 H G T 3 S+ 0 0 13 -2,-0.1 256,-0.3 2,-0.1 -1,-0.3 0.613 91.2 128.8 66.8 13.7 1.1 8.2 13.1 11 26 H M S < S+ 0 0 7 -3,-1.9 -2,-0.1 1,-0.3 253,-0.1 0.800 83.5 22.3 -65.8 -32.3 1.1 6.6 16.6 12 27 H S > + 0 0 10 -4,-0.3 3,-2.4 1,-0.1 -1,-0.3 -0.573 69.8 166.2-135.5 68.1 4.8 5.9 16.4 13 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.592 76.2 60.8 -71.5 -8.2 6.3 8.3 13.9 14 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.447 77.5 122.7 -86.4 -5.9 9.8 7.6 15.1 15 30 H Q E < -J 31 0C 2 -3,-2.4 49,-0.9 16,-0.2 50,-0.4 -0.389 42.7-170.0 -61.3 129.0 9.4 3.9 14.1 16 31 H V E -JK 30 63C 0 14,-2.3 14,-1.1 47,-0.2 2,-0.5 -0.950 14.3-146.9-121.5 143.0 12.0 2.7 11.6 17 32 H M E -JK 29 62C 0 45,-2.9 45,-2.8 -2,-0.4 2,-0.5 -0.955 9.0-147.8-104.9 123.9 12.2 -0.6 9.7 18 33 H L E -JK 28 61C 1 10,-2.5 9,-3.0 -2,-0.5 10,-1.2 -0.848 24.5-165.7 -86.8 123.7 15.6 -2.1 9.0 19 34 H F E -JK 26 60C 0 41,-2.8 41,-2.4 -2,-0.5 2,-0.2 -0.951 16.2-136.7-128.8 117.0 15.2 -3.8 5.7 20 35 H R E > -JK 25 59C 76 5,-2.3 5,-1.0 -2,-0.5 39,-0.2 -0.538 8.0-152.3 -72.0 135.0 17.6 -6.3 4.1 21 36 H K T 5S+ 0 0 82 37,-2.3 3,-0.2 1,-0.3 -1,-0.1 0.930 77.2 56.6 -72.2 -45.4 18.2 -5.7 0.4 22 36AH S T 5S+ 0 0 97 36,-0.5 -1,-0.3 1,-0.4 2,-0.1 -0.951 121.9 13.7-143.5 110.7 19.0 -9.3 -0.6 23 37 H P T 5S- 0 0 76 0, 0.0 2,-0.5 0, 0.0 -1,-0.4 0.698 102.2-121.5 -66.1 155.9 16.9 -11.3 0.1 24 38 H Q T 5 + 0 0 58 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.2 -0.555 60.3 128.4 -63.5 117.2 14.2 -8.6 0.8 25 39 H E E < -J 20 0C 69 -5,-1.0 -5,-2.3 -2,-0.5 2,-0.4 -0.979 65.2 -82.9-165.4 160.6 13.1 -9.2 4.4 26 40 H L E +J 19 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.590 37.9 178.8 -70.0 125.5 12.6 -7.5 7.8 27 41 H L E - 0 0 23 -9,-3.0 2,-0.3 1,-0.4 170,-0.2 0.821 54.9 -55.5 -91.1 -41.7 16.0 -7.3 9.6 28 42 H a E -J 18 0C 4 -10,-1.2 -10,-2.5 170,-0.1 -1,-0.4 -0.969 52.6 -86.1 179.1 169.8 14.9 -5.5 12.8 29 43 H G E +J 17 0C 2 170,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.447 41.7 166.2 -88.3 178.1 13.2 -2.5 14.3 30 44 H A E -J 16 0C 0 -14,-1.1 -14,-2.3 -2,-0.2 2,-0.3 -0.940 24.0-118.9-175.2 177.1 14.9 0.9 15.0 31 45 H S E -JL 15 39C 0 8,-2.3 8,-2.5 -2,-0.3 2,-0.6 -0.993 15.2-122.1-143.1 148.9 14.0 4.5 15.8 32 46 H L E + L 0 38C 0 -18,-2.2 86,-2.1 -2,-0.3 6,-0.2 -0.793 30.0 167.8 -88.6 121.3 14.5 8.0 14.4 33 47 H I - 0 0 23 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.572 69.1 -10.9-113.1 -11.7 16.3 10.3 16.8 34 48 H S S S- 0 0 38 3,-1.1 -1,-0.3 85,-0.1 3,-0.1 -0.911 87.5 -79.8-160.8-173.5 17.1 13.2 14.5 35 49 H D S S+ 0 0 74 -2,-0.3 74,-2.3 1,-0.2 72,-0.1 0.618 129.6 27.5 -70.4 -6.1 16.9 13.9 10.7 36 50 H R S S+ 0 0 68 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.507 108.5 74.7-130.7 -13.6 20.2 12.0 10.3 37 51 H W E - M 0 104C 13 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.1 -0.915 48.6-172.4-121.6 135.3 20.5 9.5 13.1 38 52 H V E -LM 32 103C 0 65,-2.3 65,-2.1 -2,-0.4 2,-0.3 -0.982 12.6-148.3-125.2 135.5 18.8 6.1 13.7 39 53 H L E +LM 31 102C 0 -8,-2.5 -8,-2.3 -2,-0.4 2,-0.2 -0.800 28.7 146.5-104.8 140.4 19.1 4.0 16.9 40 54 H T E - M 0 101C 0 61,-2.4 61,-2.1 -2,-0.3 2,-0.4 -0.857 50.5 -75.5-153.0-174.4 18.9 0.2 17.0 41 55 H A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.3 4,-0.4 -0.785 34.5-132.9 -90.7 135.4 20.2 -2.9 18.8 42 56 H A G >> S+ 0 0 0 -2,-0.4 4,-3.0 1,-0.2 3,-2.3 0.866 104.4 63.8 -52.9 -37.4 23.8 -3.9 18.0 43 57 H H G 34 S+ 0 0 17 1,-0.3 -1,-0.2 2,-0.2 156,-0.0 0.663 89.6 68.8 -69.7 -11.4 22.8 -7.6 17.6 44 58 H a G <4 S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.740 117.8 21.7 -70.0 -23.3 20.6 -6.5 14.7 45 59 H L T <4 S+ 0 0 2 -3,-2.3 9,-2.4 -4,-0.4 2,-0.5 0.695 129.9 36.0-116.0 -37.0 23.8 -5.8 12.8 46 60 H L E < +P 53 0D 37 -4,-3.0 -1,-0.3 7,-0.2 7,-0.2 -0.955 55.5 137.8-133.5 113.6 26.5 -7.8 14.5 47 60AH Y E > > -P 52 0D 46 5,-2.9 5,-2.0 -2,-0.5 3,-1.9 -0.544 21.0-175.5-153.3 81.8 26.1 -11.3 16.0 48 60BH P G > 5S+ 0 0 45 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.798 79.5 67.9 -50.5 -38.3 29.0 -13.8 15.2 49 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.790 113.1 33.9 -54.1 -27.2 27.4 -16.8 16.8 50 60DH W G < 5S- 0 0 181 -3,-1.9 3,-0.1 2,-0.1 -3,-0.0 0.120 117.3-112.6-107.2 17.1 24.8 -16.7 14.0 51 60EH D T < 5 + 0 0 154 -3,-2.3 2,-0.6 1,-0.2 -5,-0.0 0.843 63.8 155.8 46.4 41.2 27.3 -15.4 11.4 52 60FH K E < +P 47 0D 39 -5,-2.0 -5,-2.9 2,-0.0 -1,-0.2 -0.862 4.8 146.6 -96.8 121.8 25.5 -12.1 11.2 53 60GH N E -P 46 0D 121 -2,-0.6 2,-0.4 -7,-0.2 -7,-0.2 -0.557 22.8-172.0-154.7 81.8 27.7 -9.2 10.1 54 60HH F - 0 0 26 -9,-2.4 2,-0.2 -2,-0.1 -2,-0.0 -0.651 6.4-157.1 -85.4 131.8 25.8 -6.5 8.1 55 60IH T > - 0 0 69 -2,-0.4 3,-1.8 1,-0.0 4,-0.4 -0.523 38.3 -93.9 -96.3 167.4 27.8 -3.7 6.4 56 61 H E G > S+ 0 0 36 1,-0.3 3,-1.0 -2,-0.2 25,-0.5 0.854 123.2 53.8 -51.6 -39.4 26.2 -0.4 5.4 57 62 H N G 3 S+ 0 0 100 1,-0.2 -1,-0.3 23,-0.1 -36,-0.1 0.573 93.5 72.0 -76.5 -9.1 25.4 -1.5 1.9 58 63 H D G < S+ 0 0 63 -3,-1.8 -37,-2.3 -37,-0.1 -36,-0.5 0.676 100.9 36.4 -79.2 -20.6 23.5 -4.6 2.9 59 64 H L E < -K 20 0C 2 -3,-1.0 22,-0.5 -4,-0.4 2,-0.3 -0.852 58.6-147.7-135.9 165.8 20.4 -2.7 4.2 60 65 H L E -KN 19 80C 27 -41,-2.4 -41,-2.8 -2,-0.3 2,-0.5 -0.895 20.7-128.6-125.5 157.5 18.0 0.2 3.8 61 66 H V E -KN 18 79C 0 18,-2.8 18,-3.0 -2,-0.3 2,-0.5 -0.947 18.9-163.2-107.7 128.8 16.1 2.2 6.4 62 67 H R E -KN 17 78C 0 -45,-2.8 -45,-2.9 -2,-0.5 2,-0.3 -0.971 12.2-175.8-118.1 122.9 12.3 2.6 5.9 63 68 H I E +KN 16 77C 0 14,-2.6 14,-2.6 -2,-0.5 -47,-0.2 -0.884 58.4 30.3-124.7 144.8 10.7 5.4 7.8 64 69 H G S S+ 0 0 8 -49,-0.9 -1,-0.2 -2,-0.3 2,-0.1 0.600 83.3 153.9 84.5 16.4 7.0 6.5 8.2 65 70 H K + 0 0 12 -50,-0.4 -1,-0.2 -3,-0.2 3,-0.1 -0.419 25.6 160.4 -83.8 152.2 5.7 2.9 7.6 66 71 H H + 0 0 43 1,-0.3 88,-2.2 -2,-0.1 -1,-0.2 0.521 65.3 63.7-124.6 -61.9 2.5 1.4 8.8 67 72 H S B S-Q 153 0E 18 86,-0.2 -1,-0.3 1,-0.1 86,-0.3 -0.449 73.0-143.8 -64.4 136.7 2.0 -1.7 6.6 68 73 H R S S+ 0 0 37 84,-2.4 -1,-0.1 83,-0.1 85,-0.1 0.964 92.2 21.1 -62.5 -55.3 4.7 -4.3 7.0 69 74 H T S S+ 0 0 50 83,-0.4 185,-2.7 184,-0.1 -1,-0.1 0.720 100.2 94.4 -97.5 -25.5 4.9 -5.5 3.4 70 75 H R S S- 0 0 102 183,-0.2 2,-0.8 1,-0.1 -4,-0.1 -0.296 73.4-123.9 -68.5 147.7 3.4 -2.7 1.2 71 76 H Y - 0 0 49 184,-0.1 2,-1.7 -6,-0.0 -1,-0.1 -0.892 29.6-144.6 -86.1 114.2 5.5 0.0 -0.5 72 77 H E >> - 0 0 13 -2,-0.8 4,-2.2 -5,-0.1 3,-2.0 -0.561 15.1-152.3 -92.0 76.4 3.7 3.0 1.0 73 77AH R T 34 S+ 0 0 158 -2,-1.7 4,-0.1 1,-0.3 -3,-0.0 -0.132 76.2 8.3 -46.1 132.8 3.8 5.5 -1.9 74 78 H N T 34 S+ 0 0 138 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.540 129.8 58.6 70.4 7.9 3.8 9.2 -0.9 75 79 H I T <4 S+ 0 0 49 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.618 88.9 58.5-129.5 -62.3 4.2 8.2 2.8 76 80 H E < - 0 0 3 -4,-2.2 2,-0.4 -14,-0.0 -1,-0.3 -0.382 64.5-148.5 -79.4 155.7 7.3 6.2 3.7 77 81 H K E -N 63 0C 84 -14,-2.6 -14,-2.6 -3,-0.1 2,-0.5 -0.985 5.0-146.1-122.8 136.9 10.8 7.4 3.0 78 82 H I E -N 62 0C 54 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.912 19.2-174.5-108.4 126.8 13.7 5.1 2.1 79 83 H S E -N 61 0C 15 -18,-3.0 -18,-2.8 -2,-0.5 2,-0.3 -0.911 16.1-138.3-121.7 145.2 17.2 6.1 3.3 80 84 H M E -N 60 0C 82 -2,-0.4 26,-2.4 -20,-0.2 2,-0.5 -0.677 27.5-110.1 -97.6 156.4 20.6 4.6 2.7 81 85 H L E -O 105 0C 3 -22,-0.5 24,-0.2 -25,-0.5 3,-0.1 -0.757 24.6-176.9 -89.4 130.0 23.2 4.2 5.4 82 86 H E E S- 0 0 83 22,-3.0 2,-0.3 -2,-0.5 23,-0.2 0.893 73.6 -10.3 -81.9 -46.5 26.4 6.3 5.5 83 87 H K E -O 104 0C 99 21,-1.3 21,-2.6 -27,-0.1 2,-0.3 -0.990 55.5-141.6-159.0 140.7 28.0 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 -0.837 14.0-164.5-102.3 143.7 27.2 2.1 11.3 85 89 H Y E -O 102 0C 33 17,-3.1 17,-2.7 -2,-0.3 2,-0.3 -0.943 4.4-168.7-132.0 109.8 28.5 2.6 14.9 86 90 H I E -O 101 0C 55 -2,-0.4 15,-0.2 15,-0.2 13,-0.1 -0.789 37.7 -98.1 -97.3 140.2 28.4 -0.3 17.3 87 91 H H > - 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