==== 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 11-FEB-03 1NY2 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.KRISHNAN,A.TULINSKY,A.H.SCHMAIER,A.A.HASAN,M.WARNOCK,S.SRI . 309 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0.6 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 . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 5 0 3 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 1 0 1 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 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 10 0, 0.0 4,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -56.1 29.3 17.1 17.4 2 1G1 F > + 0 0 83 1,-0.3 3,-1.8 4,-0.1 155,-0.9 -0.425 360.0 1.3-145.8-157.1 26.1 18.5 18.8 3 1F1 G B 3 S-a 157 0A 35 1,-0.4 -1,-0.3 -2,-0.2 156,-0.1 -0.430 151.9 -3.5 -42.7 103.8 24.2 20.3 21.6 4 1E1 S T 3 S- 0 0 37 153,-3.3 -1,-0.4 -3,-0.1 5,-0.2 0.952 105.7-144.9 57.0 69.7 27.5 20.5 23.4 5 1D1 G < + 0 0 0 -3,-1.8 151,-0.1 -4,-0.2 66,-0.1 0.804 66.3 20.9 -21.4-114.1 29.4 18.5 20.7 6 1C1 E S S- 0 0 61 64,-0.6 -4,-0.1 149,-0.5 65,-0.0 0.775 90.8-110.5 -32.0-104.6 32.2 16.2 21.8 7 1B1 A S S+ 0 0 76 -6,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.117 114.3 35.2-172.6 -37.9 31.8 15.3 25.5 8 1A1 D S > S+ 0 0 66 147,-0.1 3,-0.9 3,-0.0 -2,-0.1 -0.450 94.6 161.6-119.6 32.8 34.7 17.1 27.2 9 1 1 a T 3 + 0 0 0 1,-0.2 146,-0.2 -5,-0.2 147,-0.1 -0.306 55.8 6.6 -58.6 157.0 34.1 19.8 24.6 10 2 1 G T 3 S+ 0 0 0 144,-1.8 246,-0.9 245,-0.2 2,-0.6 0.579 86.2 126.2 34.1 41.2 35.5 23.3 25.2 11 3 1 L < - 0 0 27 -3,-0.9 -1,-0.1 143,-0.3 244,-0.1 -0.990 54.1-146.0-122.6 98.4 37.6 22.5 28.4 12 4 1 R > > - 0 0 0 -2,-0.6 5,-2.8 1,-0.1 3,-0.6 -0.665 2.2-144.3 -75.2 127.8 41.0 23.7 27.4 13 5 1 P T 3 >S+ 0 0 16 0, 0.0 5,-1.4 0, 0.0 -1,-0.1 0.986 98.5 46.5 -52.7 -68.9 43.8 21.6 29.0 14 6 1 L T 3 5S+ 0 0 28 136,-0.5 6,-0.1 3,-0.2 34,-0.1 0.645 132.0 20.6 -52.0 -9.8 46.3 24.4 29.7 15 7 1 F T X>>S+ 0 0 9 -3,-0.6 5,-2.3 32,-0.2 4,-1.0 0.578 131.7 19.8-123.3 -94.7 43.4 26.3 31.1 16 8 1 E G >45S+ 0 0 18 2,-0.3 3,-1.4 1,-0.3 -2,-0.1 0.916 127.5 49.2 -50.1 -55.8 40.2 24.9 32.4 17 9 1 K G 34 - 0 0 11 -2,-0.3 3,-1.2 26,-0.1 4,-0.4 -0.504 30.9 -96.8 -89.5 165.9 44.1 33.4 30.2 23 14A1 K T 3 S+ 0 0 184 1,-0.3 3,-0.2 -2,-0.2 4,-0.1 0.789 120.7 32.3 -48.8 -39.6 45.0 37.1 29.9 24 14B1 T T 3 S+ 0 0 19 1,-0.1 4,-0.3 2,-0.1 -1,-0.3 0.152 87.3 99.7-119.6 30.2 41.7 38.1 28.4 25 14C1 E S X> S+ 0 0 9 -3,-1.2 4,-1.0 1,-0.2 3,-1.0 0.844 80.3 51.0 -79.9 -46.3 39.1 35.7 29.9 26 14D1 R H 3> S+ 0 0 163 -4,-0.4 4,-3.9 1,-0.2 -1,-0.2 0.776 97.9 69.7 -66.3 -32.4 37.5 37.8 32.7 27 14E1 E H 34 S+ 0 0 60 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.646 103.3 43.7 -49.1 -39.0 37.0 40.6 30.2 28 14F1 L H <4 S+ 0 0 0 -3,-1.0 4,-0.4 -4,-0.3 144,-0.4 0.634 112.2 52.9 -72.3 -46.8 34.3 38.4 28.5 29 14G1 L H >< S+ 0 0 45 -4,-1.0 3,-3.2 1,-0.2 -2,-0.2 0.969 103.5 55.9 -62.0 -58.6 32.9 37.4 31.9 30 14H1 E T 3< S+ 0 0 109 -4,-3.9 -1,-0.2 1,-0.3 -2,-0.2 0.743 100.4 61.0 -47.0 -32.4 32.5 41.0 33.0 31 14I1 S T 3 S+ 0 0 25 -4,-0.3 2,-1.9 1,-0.2 -1,-0.3 0.714 82.3 80.0 -67.1 -24.1 30.4 41.6 29.8 32 14J1 Y S < S- 0 0 22 -3,-3.2 2,-1.1 -4,-0.4 -1,-0.2 -0.161 132.2 -81.8 -78.5 37.3 27.9 39.0 31.0 33 14K1 I S S- 0 0 133 -2,-1.9 2,-0.2 137,-0.1 -1,-0.1 -0.532 93.7 -16.9 106.3 -66.6 26.7 41.9 33.1 34 14L1 D - 0 0 79 -2,-1.1 2,-0.6 -5,-0.2 -3,-0.1 -0.967 51.4-109.1-174.2 154.7 29.2 41.8 36.0 35 14M1 G 0 0 57 -2,-0.2 -5,-0.1 -5,-0.1 -2,-0.1 -0.066 360.0 360.0 -82.1 43.0 31.8 40.1 38.1 36 15 1 R 0 0 251 -2,-0.6 -1,-0.1 -6,-0.1 -3,-0.0 0.494 360.0 360.0-121.5 360.0 29.3 39.9 41.0 37 !* 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 38 16 2 I 0 0 1 0, 0.0 3,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 118.6 42.7 39.8 12.8 39 17 2 V B -B 236 0B 8 197,-1.3 197,-1.6 1,-0.2 143,-0.1 -0.603 360.0 -0.4 -90.3 139.6 42.9 43.6 13.4 40 18 2 E S S+ 0 0 117 141,-0.5 -1,-0.2 -2,-0.3 194,-0.2 0.769 100.5 120.0 52.8 30.9 43.7 45.3 16.8 41 19 2 G - 0 0 26 -3,-0.4 2,-0.3 195,-0.1 159,-0.2 0.047 58.8-119.2 -92.1-161.0 43.9 41.9 18.6 42 20 2 S E -C 199 0C 49 157,-1.9 157,-2.6 -3,-0.1 2,-0.1 -0.949 37.5 -79.2-147.1 160.7 46.9 40.4 20.5 43 21 2 D E -C 198 0C 88 -2,-0.3 155,-0.3 155,-0.2 154,-0.0 -0.594 55.0-116.4 -66.5 145.5 49.0 37.2 20.0 44 22 2 A - 0 0 8 153,-3.7 2,-0.2 -2,-0.1 153,-0.1 -0.163 27.0-113.9 -66.7 174.3 47.1 34.2 21.4 45 23 2 E > - 0 0 69 1,-0.1 3,-2.1 -2,-0.0 4,-0.4 -0.539 43.0 -78.3-107.4 158.9 48.4 32.2 24.3 46 24 2 I T 3 S- 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 105,-0.0 -0.413 118.6 -2.6 -64.2 129.5 49.6 28.6 24.2 47 25 2 G T 3 S+ 0 0 9 -2,-0.1 -1,-0.3 2,-0.1 -32,-0.2 0.701 92.4 132.2 60.2 25.2 46.5 26.3 24.2 48 26 2 M S < S+ 0 0 6 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.811 84.1 20.2 -71.4 -25.4 44.4 29.5 24.5 49 27 2 S > + 0 0 14 -4,-0.4 3,-2.1 102,-0.1 -1,-0.3 -0.654 68.1 177.8-142.9 70.7 42.2 28.0 21.6 50 28 2 P T 3 S+ 0 0 1 0, 0.0 103,-1.4 0, 0.0 99,-0.1 0.593 79.0 56.4 -51.0 -25.7 42.7 24.2 21.3 51 29 2 W T 3 S+ 0 0 1 101,-0.2 18,-1.7 103,-0.1 104,-0.1 0.406 72.6 124.2 -88.0 -12.1 40.0 24.0 18.4 52 30 2 Q E < -H 68 0D 5 -3,-2.1 49,-1.0 16,-0.2 2,-0.4 -0.393 43.8-163.4 -57.5 140.6 41.6 26.5 16.0 53 31 2 V E -HI 67 100D 0 14,-1.6 14,-1.0 47,-0.2 2,-0.5 -0.977 13.3-139.4-131.1 137.7 42.2 24.9 12.6 54 32 2 M E -HI 66 99D 0 45,-3.6 45,-2.6 -2,-0.4 2,-0.9 -0.847 8.1-150.4 -97.9 126.1 44.5 26.1 9.7 55 33 2 L E - I 0 98D 0 10,-2.2 9,-6.5 -2,-0.5 2,-0.5 -0.858 26.5-170.7 -97.4 100.3 43.0 25.7 6.2 56 34 2 F E -HI 63 97D 0 41,-2.4 41,-1.7 -2,-0.9 2,-0.7 -0.849 20.1-132.2-103.3 134.3 46.2 25.2 4.4 57 35 2 R E > -HI 62 96D 64 5,-4.9 5,-1.8 -2,-0.5 39,-0.2 -0.843 7.2-147.0 -90.6 113.5 46.5 25.2 0.6 58 36 2 K E 5S+H 61 0D 36 37,-1.9 3,-0.2 -2,-0.7 -1,-0.2 0.804 81.2 34.9 -40.0 -46.6 48.5 22.3 -0.7 59 36A2 S T 5S+ 0 0 88 1,-0.7 -1,-0.2 36,-0.4 2,-0.2 -0.831 116.5 32.6-173.5 129.8 49.7 24.5 -3.6 60 37 2 P T 5S- 0 0 78 0, 0.0 -1,-0.7 0, 0.0 2,-0.3 0.609 109.5-117.9 -55.3 145.6 50.3 27.2 -3.9 61 38 2 Q E 5 +H 58 0D 75 -3,-0.2 2,-0.3 -2,-0.2 -3,-0.2 -0.499 63.0 140.4 -55.3 113.7 51.3 26.5 -0.3 62 39 2 E E < -H 57 0D 65 -5,-1.8 -5,-4.9 -2,-0.3 2,-0.5 -0.997 60.6-100.9-164.3 161.8 48.9 28.9 1.5 63 40 2 L E +H 56 0D 34 -2,-0.3 -7,-0.3 -7,-0.3 3,-0.1 -0.821 33.0 179.4 -79.6 123.1 46.5 29.8 4.4 64 41 2 L E - 0 0 24 -9,-6.5 2,-0.3 -2,-0.5 -1,-0.2 0.900 54.0 -57.6 -90.5 -49.6 43.0 29.4 3.0 65 42 2 b E - 0 0 2 -10,-0.4 -10,-2.2 176,-0.1 -1,-0.5 -0.894 58.6 -75.1-164.9-169.3 40.9 30.4 6.1 66 43 2 G E +H 54 0D 3 176,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.421 44.0 175.9 -95.3 168.9 40.3 29.5 9.7 67 44 2 A E -H 53 0D 0 -14,-1.0 -14,-1.6 -2,-0.2 2,-0.3 -0.867 20.0-126.1-163.9 176.9 38.3 26.5 10.8 68 45 2 S E -HJ 52 76D 0 8,-1.8 8,-2.3 -2,-0.3 2,-0.6 -0.980 13.5-126.4-147.5 140.8 37.4 24.8 14.1 69 46 2 L E + J 0 75D 0 -18,-1.7 86,-2.1 -2,-0.3 6,-0.2 -0.855 33.4 163.0 -85.4 114.2 37.7 21.3 15.6 70 47 2 I + 0 0 0 4,-2.3 -64,-0.6 -2,-0.6 2,-0.2 0.434 69.9 4.6-111.8 -8.8 34.3 20.1 16.8 71 48 2 S S S- 0 0 1 3,-1.6 82,-0.1 -66,-0.1 84,-0.1 -0.796 84.7 -91.9-153.3-169.8 35.3 16.4 16.9 72 49 2 D S S+ 0 0 49 -2,-0.2 74,-3.3 -3,-0.1 72,-0.1 0.513 131.6 19.2 -82.7 -18.2 38.4 14.1 16.5 73 50 2 R S S+ 0 0 33 72,-0.2 69,-2.4 223,-0.1 2,-0.4 0.527 110.2 81.9-128.5 -23.6 37.1 13.9 12.9 74 51 2 W E - K 0 141D 0 67,-0.2 -4,-2.3 222,-0.1 -3,-1.6 -0.781 49.6-171.8-101.7 134.9 34.8 16.9 12.2 75 52 2 V E -JK 69 140D 0 65,-2.5 65,-1.9 -2,-0.4 2,-0.4 -0.973 12.1-146.3-129.7 123.9 35.9 20.4 11.2 76 53 2 L E +JK 68 139D 0 -8,-2.3 -8,-1.8 -2,-0.4 2,-0.3 -0.663 27.4 159.7 -81.3 132.8 33.7 23.5 11.0 77 54 2 T E - K 0 138D 0 61,-2.8 61,-2.9 -2,-0.4 2,-0.4 -0.885 48.5 -92.6-147.2 163.7 34.5 26.1 8.4 78 55 2 A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.3 59,-0.4 -0.677 39.6-127.9 -69.1 130.9 32.7 29.0 6.6 79 56 2 A G >> S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.2 4,-1.6 0.828 103.5 65.7 -45.3 -45.4 31.3 27.5 3.3 80 57 2 H G 34 S+ 0 0 2 1,-0.2 -1,-0.2 2,-0.2 162,-0.0 0.500 84.0 71.3 -61.9 -4.0 32.9 30.3 1.2 81 58 2 b G <4 S+ 0 0 0 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.1 0.668 113.2 31.8 -84.3 -12.4 36.4 29.2 2.1 82 59 2 L T <4 S+ 0 0 3 -3,-1.7 9,-1.4 -4,-0.3 2,-0.3 0.758 128.6 31.5-114.7 -37.7 35.6 26.3 -0.2 83 60 2 L E < +N 90 0E 42 -4,-1.6 -1,-0.2 7,-0.2 7,-0.2 -0.891 55.6 140.8-141.3 107.9 33.2 27.8 -2.7 84 60A2 Y E > > -N 89 0E 39 5,-1.0 3,-2.5 -2,-0.3 5,-0.8 -0.652 23.4-169.5-147.8 86.2 33.2 31.4 -4.0 85 60B2 P G > 5S+ 0 0 43 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.763 85.6 60.6 -40.3 -48.3 32.4 31.7 -7.8 86 60C2 P G 3 5S+ 0 0 58 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.794 117.3 30.8 -58.9 -30.5 33.4 35.4 -7.9 87 60D2 W G < 5S- 0 0 132 -3,-2.5 -3,-0.0 2,-0.1 0, 0.0 0.330 118.7-118.6-103.2 1.7 36.9 34.6 -6.8 88 60E2 D T < 5 + 0 0 141 -3,-1.4 2,-0.5 1,-0.2 -5,-0.0 0.955 51.5 171.6 59.8 63.3 36.4 31.3 -8.6 89 60F2 K E < +N 84 0E 30 -5,-0.8 -5,-1.0 1,-0.1 -1,-0.2 -0.936 15.8 139.0-102.8 128.6 36.8 29.3 -5.4 90 60G2 N E -N 83 0E 127 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.121 25.6-176.7-174.1 72.9 36.0 25.6 -5.8 91 60H2 F - 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