==== 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 25-SEP-99 1C4V . COMPND 2 MOLECULE: THROMBIN:SHORT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.KRISHNAN,I.MOCHALKIN,R.K.ARNI,A.TULINSKY . 298 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 61.7 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 . 73 24.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 1 0.3 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 0 2 0 0 0 0 0 0 0 1 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 . 4 4 1 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1H1 T 0 0 12 0, 0.0 5,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -59.1 19.2 13.2 18.6 2 1G1 F > + 0 0 85 3,-0.5 3,-4.8 1,-0.2 155,-0.7 -0.113 360.0 70.4-130.7-123.3 20.5 12.6 22.1 3 1F1 G T 3 S- 0 0 29 1,-0.3 -1,-0.2 275,-0.1 156,-0.2 0.063 142.2 -30.0 -23.7 90.3 20.0 14.7 25.3 4 1E1 S T 3 S- 0 0 22 153,-0.3 -1,-0.3 154,-0.3 5,-0.1 0.895 120.8 -91.9 45.3 49.1 16.3 13.8 25.7 5 1D1 G < - 0 0 3 -3,-4.8 -3,-0.5 152,-0.2 151,-0.1 0.191 68.0 -26.3 59.3-151.8 16.5 13.6 21.9 6 1C1 E S S- 0 0 61 64,-0.6 -1,-0.1 149,-0.4 65,-0.1 0.965 78.0-101.5 -70.0 -72.1 16.1 16.0 19.0 7 1B1 A S S+ 0 0 67 -6,-0.0 149,-0.1 4,-0.0 -2,-0.1 0.128 117.6 40.3 168.3 -41.6 13.6 18.8 19.9 8 1A1 D S > S+ 0 0 63 147,-0.1 3,-1.8 3,-0.0 148,-0.1 -0.114 94.7 149.1-111.3 13.5 10.2 18.1 18.4 9 1 1 a T 3 + 0 0 2 1,-0.3 146,-0.3 -5,-0.1 147,-0.2 -0.181 60.8 3.4 -53.8 137.7 11.3 14.8 19.6 10 2 1 G T 3 S+ 0 0 0 144,-4.2 240,-0.9 239,-0.2 2,-0.6 0.437 91.7 118.3 60.9 19.2 8.5 12.5 20.7 11 3 1 L < - 0 0 29 -3,-1.8 -1,-0.1 143,-0.3 238,-0.1 -0.981 60.8-139.6-107.0 113.8 5.5 14.8 19.8 12 4 1 R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.1 -0.603 6.5-140.4 -84.2 132.7 3.5 12.9 17.2 13 5 1 P T 3 5S+ 0 0 18 0, 0.0 137,-0.1 0, 0.0 -1,-0.1 0.934 102.4 47.6 -50.4 -38.9 2.1 14.9 14.3 14 6 1 L T 3 5S+ 0 0 28 136,-0.5 34,-0.1 33,-0.3 32,-0.1 0.530 129.4 9.2 -89.2 -2.6 -1.0 12.8 14.5 15 7 1 F T X >S+ 0 0 11 -3,-1.1 5,-3.7 32,-0.2 3,-1.0 0.516 130.8 35.2-130.7 -75.1 -1.8 12.8 18.2 16 8 1 E G > 5S+ 0 0 21 3,-0.3 3,-3.2 1,-0.3 -2,-0.1 0.981 114.8 54.8 -51.6 -65.4 0.2 15.2 20.3 17 9 1 K G 3 > S+ 0 0 11 2,-0.1 3,-0.8 1,-0.1 4,-0.7 0.561 84.7 101.3-132.4 4.2 -4.2 3.0 24.9 25 14C1 E H >> S+ 0 0 12 -3,-0.4 4,-1.6 1,-0.3 3,-0.7 0.768 79.4 63.3 -48.2 -51.8 -2.0 5.9 26.0 26 14D1 R H 3> S+ 0 0 99 -4,-0.5 4,-3.6 1,-0.2 3,-0.3 0.914 92.7 65.4 -37.4 -49.3 -4.2 6.3 29.0 27 14E1 E H <4 S+ 0 0 21 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 105.5 41.4 -44.9 -52.3 -3.1 2.8 30.1 28 14F1 L H XX S+ 0 0 0 -4,-0.7 4,-1.6 -3,-0.7 3,-1.5 0.875 113.7 50.9 -62.0 -48.2 0.5 4.0 30.6 29 14G1 L H 3<>S+ 0 0 20 -4,-1.6 5,-3.8 -3,-0.3 3,-0.4 0.943 106.6 56.1 -61.3 -44.5 -0.4 7.3 32.2 30 14H1 E T 3<5S+ 0 0 118 -4,-3.6 -1,-0.3 3,-0.3 -2,-0.2 0.532 107.3 51.5 -65.4 -11.0 -2.6 5.5 34.6 31 14I1 S T <45S+ 0 0 21 -3,-1.5 2,-1.2 -5,-0.3 -1,-0.2 0.722 95.6 61.0 -95.4 -37.6 0.5 3.4 35.5 32 14J1 Y T <5S- 0 0 14 -4,-1.6 -1,-0.1 -3,-0.4 -3,-0.1 -0.240 141.6 -92.4 -80.7 34.4 3.0 6.3 36.2 33 14K1 I T 5S- 0 0 131 -2,-1.2 -3,-0.3 -3,-0.2 -2,-0.2 0.677 84.0 -37.7 54.6 36.1 0.1 6.4 38.6 34 14L1 D S - 0 0 59 1,-0.1 3,-1.6 -2,-0.0 4,-0.4 -0.517 43.4 -83.5 -90.8 158.2 -3.1 3.2 14.7 46 24 2 I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 105,-0.1 -0.590 116.4 8.3 -77.0 140.2 -2.0 5.5 11.9 47 25 2 G T 3 S+ 0 0 8 -2,-0.3 -33,-0.3 54,-0.2 -1,-0.3 0.477 95.4 121.3 68.3 18.2 0.6 7.9 13.1 48 26 2 M S < S+ 0 0 6 -3,-1.6 -2,-0.1 1,-0.3 -26,-0.1 0.790 80.9 23.9 -77.2 -30.8 0.9 6.1 16.5 49 27 2 S > + 0 0 14 -4,-0.4 3,-1.3 102,-0.1 -1,-0.3 -0.584 68.2 167.5-131.2 73.5 4.5 5.2 16.4 50 28 2 P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.1 0.520 73.1 57.3 -65.8 -17.1 6.4 7.6 14.1 51 29 2 W T 3 S+ 0 0 5 101,-0.2 18,-2.0 103,-0.1 20,-0.1 0.578 79.0 121.1 -87.5 -20.4 10.0 6.7 15.0 52 30 2 Q B < -J 68 0C 3 -3,-1.3 49,-0.6 16,-0.2 2,-0.3 -0.036 41.5-172.8 -58.3 140.6 9.5 3.0 14.1 53 31 2 V E -N 100 0D 0 14,-1.3 2,-0.5 47,-0.1 14,-0.4 -0.938 21.2-134.6-133.5 152.0 11.8 1.6 11.4 54 32 2 M E -N 99 0D 0 45,-0.8 45,-2.3 -2,-0.3 2,-0.8 -0.988 16.3-139.9-111.7 130.8 12.0 -1.6 9.6 55 33 2 L E -NO 98 65D 1 10,-4.4 9,-4.9 -2,-0.5 10,-1.6 -0.927 33.2-166.3 -92.9 114.1 15.4 -3.1 9.3 56 34 2 F E -NO 97 63D 1 41,-2.3 41,-3.2 -2,-0.8 2,-0.6 -0.937 19.5-148.4-116.8 126.8 15.2 -4.3 5.7 57 35 2 R E > -NO 96 62D 84 5,-2.9 5,-1.6 -2,-0.5 39,-0.2 -0.854 9.3-151.5 -92.5 120.2 17.5 -6.7 4.0 58 36 2 K T 5S+ 0 0 44 37,-0.9 -1,-0.2 -2,-0.6 38,-0.1 0.860 76.9 57.8 -52.3 -53.4 17.7 -5.9 0.3 59 36A2 S T 5S+ 0 0 95 36,-0.4 -1,-0.2 2,-0.1 2,-0.2 -0.884 117.8 16.4-146.9 112.7 18.4 -9.4 -0.8 60 37 2 P T 5S- 0 0 80 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.584 106.7-120.5 -48.7-179.6 16.6 -11.6 -0.1 61 38 2 Q T 5 + 0 0 54 -2,-0.2 232,-0.4 232,-0.1 2,-0.3 -0.771 60.9 126.5-110.0 96.2 13.9 -8.9 0.6 62 39 2 E E < -O 57 0D 70 -5,-1.6 -5,-2.9 -2,-1.0 2,-0.1 -0.973 63.0-102.3-151.3 151.5 12.9 -9.4 4.2 63 40 2 L E -O 56 0D 34 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.364 28.0-175.8 -66.3 142.7 12.6 -7.5 7.4 64 41 2 L E - 0 0 27 -9,-4.9 2,-0.3 1,-0.5 -8,-0.2 0.566 59.1 -38.0-115.5 -22.1 15.5 -8.2 9.7 65 42 2 b E -O 55 0D 1 -10,-1.6 -10,-4.4 172,-0.1 -1,-0.5 -0.975 56.5 -88.6-179.3-177.5 14.3 -6.1 12.7 66 43 2 G + 0 0 3 170,-2.6 2,-0.3 169,-0.5 12,-0.3 -0.160 44.1 161.2 -94.9-173.3 12.6 -3.0 14.2 67 44 2 A - 0 0 0 -14,-0.4 -14,-1.3 -2,-0.1 2,-0.4 -0.938 26.0-112.7 162.7 176.7 14.6 0.2 15.0 68 45 2 S E -JK 52 76C 0 8,-0.9 8,-3.1 -2,-0.3 2,-0.6 -0.998 7.5-131.8-155.0 148.7 14.0 3.8 15.7 69 46 2 L E + K 0 75C 0 -18,-2.0 86,-1.6 -2,-0.4 6,-0.2 -0.844 26.6 166.9 -95.6 112.2 14.6 7.3 14.3 70 47 2 I S S+ 0 0 0 4,-2.1 -64,-0.6 -2,-0.6 2,-0.3 0.454 77.0 4.0-106.4 -5.9 16.0 9.6 17.1 71 48 2 S S S- 0 0 3 3,-1.0 -1,-0.3 -70,-0.1 3,-0.1 -0.908 88.7 -91.7-164.5 171.8 16.9 12.1 14.5 72 49 2 D S S+ 0 0 36 -2,-0.3 74,-2.9 1,-0.2 72,-0.1 0.350 125.8 30.4 -81.0 -1.6 16.5 12.7 10.7 73 50 2 R S S+ 0 0 27 72,-0.2 69,-2.4 1,-0.2 2,-0.4 0.585 109.4 70.3-133.8 -2.1 19.9 11.0 10.2 74 51 2 W E - L 0 141C 0 67,-0.2 -4,-2.1 -3,-0.1 -3,-1.0 -0.972 50.7-168.8-128.0 128.8 20.3 8.4 13.0 75 52 2 V E -KL 69 140C 0 65,-3.4 65,-1.7 -2,-0.4 2,-0.6 -0.889 11.3-150.0-120.8 135.0 18.6 5.1 13.7 76 53 2 L E +KL 68 139C 0 -8,-3.1 -8,-0.9 -2,-0.4 63,-0.2 -0.937 28.9 153.6 -97.9 110.4 19.0 3.2 16.9 77 54 2 T E - L 0 138C 0 61,-1.7 61,-1.5 -2,-0.6 2,-0.4 -0.430 49.0 -75.8-121.9-163.1 18.7 -0.6 16.9 78 55 2 A >> - 0 0 0 -12,-0.3 3,-2.1 59,-0.2 4,-0.6 -0.870 36.3-129.7 -88.6 131.2 19.9 -3.8 18.8 79 56 2 A H >> S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.3 3,-1.0 0.758 108.5 62.0 -56.1 -32.3 23.6 -4.6 18.2 80 57 2 H H 34 S+ 0 0 20 2,-0.3 -1,-0.3 1,-0.2 156,-0.0 0.379 89.3 67.3 -71.9 -9.3 22.4 -8.3 17.4 81 58 2 b H <4 S+ 0 0 0 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.804 117.9 26.3 -82.1 -23.8 20.2 -7.0 14.4 82 59 2 L H << S+ 0 0 0 -3,-1.0 9,-1.1 -4,-0.6 2,-0.4 0.770 128.4 30.2-106.7 -47.7 23.6 -6.3 12.9 83 60 2 L E < +Q 90 0E 35 -4,-2.4 7,-0.2 7,-0.2 -1,-0.2 -0.955 50.7 143.6-131.4 130.5 26.3 -8.7 14.5 84 60A2 Y E > > -Q 89 0E 41 5,-2.2 5,-2.1 -2,-0.4 3,-2.1 -0.488 16.2-177.6-160.5 83.7 25.9 -12.2 15.8 85 60B2 P G > 5S+ 0 0 43 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.832 82.6 63.6 -53.9 -45.7 28.9 -14.4 15.1 86 60C2 P G 3 5S+ 0 0 66 0, 0.0 -2,-0.0 0, 0.0 44,-0.0 0.792 113.2 35.2 -46.6 -38.2 27.3 -17.4 16.7 87 60D2 W G < 5S- 0 0 189 -3,-2.1 3,-0.1 2,-0.1 -4,-0.0 0.340 117.6-106.7-104.4 10.2 24.6 -17.3 14.0 88 60E2 D T < 5 + 0 0 152 -3,-1.9 2,-0.4 -4,-0.4 -5,-0.0 0.766 68.8 152.5 65.5 33.6 26.9 -16.1 11.1 89 60F2 K E < +Q 84 0E 45 -5,-2.1 -5,-2.2 1,-0.1 -1,-0.3 -0.788 7.1 141.3 -94.3 130.5 25.4 -12.7 11.3 90 60G2 N E -Q 83 0E 112 -2,-0.4 -7,-0.2 -7,-0.2 -8,-0.1 -0.026 28.3-165.3-164.4 51.5 27.5 -9.7 10.2 91 60H2 F - 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