==== 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/HYROLASE INHIBITOR 19-AUG-92 1DWC . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,P.HADVARY . 296 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 60.1 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 . 76 25.7 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 0.7 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 . 25 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.4 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 1 1 1 0 0 0 0 1 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 . 4 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 1CL E 0 0 157 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.1 64.3 26.6 16.8 2 1BL A - 0 0 86 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.195 360.0-113.7 -49.9 133.6 61.5 26.8 14.2 3 1AL D + 0 0 72 2,-0.0 2,-0.3 146,-0.0 -1,-0.1 -0.543 52.6 150.0 -77.4 145.4 59.6 29.9 14.8 4 1 L a + 0 0 24 -2,-0.2 144,-0.2 142,-0.1 3,-0.1 -0.971 42.4 49.5-162.4 163.4 56.1 29.4 16.0 5 2 L G S S+ 0 0 0 142,-2.0 244,-0.8 -2,-0.3 2,-0.8 0.302 81.0 111.6 82.0 -11.5 53.5 30.9 18.1 6 3 L L - 0 0 29 141,-0.2 -1,-0.2 242,-0.2 242,-0.1 -0.821 64.7-140.1-102.2 104.6 54.0 34.2 16.3 7 4 L R > > - 0 0 0 -2,-0.8 5,-1.9 1,-0.2 3,-1.4 -0.437 4.3-142.3 -66.4 124.2 51.0 35.1 14.2 8 5 L P T 3 5S+ 0 0 18 0, 0.0 -1,-0.2 0, 0.0 135,-0.1 0.767 100.5 38.6 -55.9 -30.4 52.0 36.7 10.9 9 6 L L T 3 5S+ 0 0 30 31,-0.4 -2,-0.1 134,-0.3 32,-0.1 0.445 130.5 24.6-102.5 2.8 49.1 39.1 10.9 10 7 L F T X >S+ 0 0 14 -3,-1.4 5,-2.7 30,-0.1 3,-0.9 0.570 125.3 27.7-123.3 -82.8 49.2 39.9 14.6 11 8 L E G > 5S+ 0 0 16 1,-0.3 3,-2.7 3,-0.2 -5,-0.1 0.974 125.9 48.2 -49.0 -60.3 52.3 39.5 16.6 12 9 L K G 3 - 0 0 3 -2,-0.3 3,-1.2 1,-0.1 4,-0.4 -0.374 36.1 -96.1 -81.8 163.2 43.4 40.7 18.5 18 14AL K T 3 S+ 0 0 176 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.698 115.6 21.7 -46.8 -36.3 40.1 41.7 20.0 19 14BL T T >> S+ 0 0 47 1,-0.1 3,-0.9 2,-0.1 4,-0.8 0.265 86.5 107.5-125.5 16.0 40.1 39.6 23.1 20 14CL E H <> S+ 0 0 5 -3,-1.2 4,-1.8 1,-0.2 3,-0.3 0.771 74.1 63.1 -60.3 -34.3 43.7 38.8 23.7 21 14DL R H 3> S+ 0 0 133 -4,-0.4 4,-3.1 1,-0.2 5,-0.3 0.751 92.3 63.0 -67.0 -26.1 43.9 41.1 26.6 22 14EL E H <> S+ 0 0 52 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.924 105.5 47.5 -63.7 -40.4 41.4 39.1 28.6 23 14FL L H < S+ 0 0 0 -4,-0.8 142,-0.5 -3,-0.3 4,-0.3 0.984 114.6 45.9 -58.9 -59.7 43.9 36.3 28.4 24 14GL L H >X S+ 0 0 38 -4,-1.8 3,-2.0 1,-0.2 4,-0.9 0.876 110.9 50.0 -50.9 -51.5 46.8 38.5 29.5 25 14HL E H 3< S+ 0 0 86 -4,-3.1 3,-0.4 1,-0.3 -1,-0.2 0.883 95.2 72.3 -60.2 -36.9 45.1 40.2 32.3 26 14IL S T 3< S+ 0 0 9 -4,-1.7 3,-0.3 -5,-0.3 -1,-0.3 0.675 98.2 52.4 -52.2 -15.1 44.0 36.9 33.7 27 14JL Y T <4 S+ 0 0 28 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.878 106.3 48.7 -86.1 -46.8 47.7 36.5 34.6 28 14KL I < 0 0 125 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.076 360.0 360.0 -84.7 28.1 48.2 39.7 36.5 29 14LL D 0 0 179 -3,-0.3 -3,-0.0 -4,-0.2 135,-0.0 -0.453 360.0 360.0 -68.1 360.0 45.1 39.3 38.7 30 !* 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 31 16 H I 0 0 1 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.9 31.7 26.8 20.3 32 17 H V B -A 229 0A 6 197,-3.1 197,-1.3 1,-0.2 143,-0.1 -0.805 360.0 -4.2 -97.4 132.1 29.0 28.0 22.8 33 18 H E S S+ 0 0 111 141,-0.5 -1,-0.2 -2,-0.4 194,-0.2 0.775 104.4 122.9 59.7 29.9 28.9 31.7 23.7 34 19 H G - 0 0 21 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 0.029 52.5-120.8 -97.9-150.3 32.0 32.5 21.7 35 20 H S E -B 192 0B 64 157,-1.4 157,-2.8 -3,-0.1 2,-0.3 -0.924 30.3 -78.7-148.8 173.4 32.6 34.9 18.8 36 21 H D E -B 191 0B 107 -2,-0.3 155,-0.2 155,-0.2 2,-0.2 -0.559 51.0-128.1 -74.1 134.9 33.6 35.2 15.3 37 22 H A - 0 0 5 153,-3.5 2,-0.1 -2,-0.3 153,-0.1 -0.548 20.3-111.2 -84.7 158.5 37.2 35.0 15.1 38 23 H E > - 0 0 46 -2,-0.2 3,-1.7 1,-0.1 4,-0.2 -0.429 48.5 -81.8 -78.6 156.8 39.2 37.6 13.2 39 24 H I T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.372 116.4 8.7 -63.2 130.5 40.9 36.6 10.0 40 25 H G T 3 S+ 0 0 13 -2,-0.1 -31,-0.4 2,-0.1 -1,-0.3 0.743 88.3 131.4 72.8 20.3 44.2 34.9 10.6 41 26 H M S < S+ 0 0 5 -3,-1.7 -2,-0.1 1,-0.3 -34,-0.1 0.760 79.6 24.2 -75.2 -29.1 43.5 34.7 14.3 42 27 H S > + 0 0 10 -4,-0.2 3,-1.8 102,-0.1 -1,-0.3 -0.657 67.0 171.4-137.9 77.7 44.5 31.0 14.6 43 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.3 0, 0.0 51,-0.1 0.587 78.6 58.4 -65.6 -13.6 46.8 30.1 11.8 44 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 2,-0.3 0.453 77.8 119.8 -94.0 -2.9 47.4 26.7 13.3 45 30 H Q E < -J 61 0C 2 -3,-1.8 49,-1.0 16,-0.2 50,-0.4 -0.509 44.9-168.4 -69.7 124.7 43.8 25.8 13.2 46 31 H V E -JK 60 93C 0 14,-2.7 14,-0.9 -2,-0.3 2,-0.4 -0.887 12.9-145.4-116.6 144.6 43.1 22.7 11.1 47 32 H M E -JK 59 92C 0 45,-2.8 45,-2.7 -2,-0.3 2,-0.8 -0.907 9.6-144.8-108.3 133.4 39.8 21.3 9.9 48 33 H L E -JK 58 91C 0 10,-2.9 9,-2.8 -2,-0.4 10,-1.0 -0.873 23.7-166.3-100.6 106.4 39.4 17.5 9.6 49 34 H F E -JK 56 90C 0 41,-1.7 41,-2.7 -2,-0.8 2,-0.5 -0.727 14.0-139.3 -98.8 144.0 37.2 16.9 6.5 50 35 H R E > -JK 55 89C 75 5,-2.5 5,-0.9 -2,-0.3 39,-0.2 -0.854 8.2-146.5-100.7 128.1 35.5 13.6 5.6 51 36 H K T 5S+ 0 0 55 37,-2.0 3,-0.2 -2,-0.5 -1,-0.1 0.940 77.7 39.4 -58.7 -56.5 35.5 12.6 1.9 52 36AH S T 5S+ 0 0 102 1,-0.5 -1,-0.2 36,-0.3 2,-0.2 -0.892 124.2 24.1-151.7 116.3 32.1 10.9 1.6 53 37 H P T 5S- 0 0 75 0, 0.0 2,-0.6 0, 0.0 -1,-0.5 0.548 102.5-130.4 -71.4 157.8 29.9 11.9 2.9 54 38 H Q T 5 + 0 0 68 -3,-0.2 2,-0.3 -2,-0.2 -3,-0.2 -0.641 52.2 134.2 -76.0 117.9 31.5 15.3 3.0 55 39 H E E < -J 50 0C 72 -5,-0.9 -5,-2.5 -2,-0.6 2,-0.6 -0.988 61.1 -93.0-161.6 160.5 31.3 16.6 6.4 56 40 H L E +J 49 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.697 36.1 177.0 -81.5 116.6 33.2 18.2 9.2 57 41 H L E - 0 0 27 -9,-2.8 2,-0.3 -2,-0.6 176,-0.2 0.904 53.3 -46.6 -84.6 -49.8 34.8 15.6 11.5 58 42 H b E -J 48 0C 4 -10,-1.0 -10,-2.9 176,-0.1 -1,-0.3 -0.989 50.2 -90.1-170.7 177.3 36.8 17.6 13.9 59 43 H G E +J 47 0C 1 176,-3.2 12,-0.3 -2,-0.3 2,-0.3 -0.322 42.5 162.1 -92.4 176.7 39.2 20.4 14.7 60 44 H A E -J 46 0C 0 -14,-0.9 -14,-2.7 10,-0.1 2,-0.3 -0.957 25.8-114.8-179.6 177.7 42.9 19.9 15.0 61 45 H S E -JL 45 69C 0 8,-2.0 8,-2.6 -2,-0.3 2,-0.8 -0.974 13.0-125.5-140.3 154.1 46.2 21.9 14.9 62 46 H L E + L 0 68C 0 -18,-2.3 86,-1.9 -2,-0.3 6,-0.2 -0.838 27.0 168.8 -97.6 109.6 49.3 22.4 12.9 63 47 H I - 0 0 21 4,-1.2 2,-0.3 -2,-0.8 5,-0.2 0.500 67.5 -11.4 -95.2 -6.7 52.4 21.8 15.0 64 48 H S S S- 0 0 35 3,-1.2 3,-0.4 -3,-0.1 -1,-0.2 -0.990 84.1 -67.7-177.7 172.9 54.5 21.8 11.9 65 49 H D S S+ 0 0 72 -2,-0.3 74,-2.5 1,-0.3 3,-0.1 0.580 129.2 8.6 -44.4 -20.9 55.3 21.7 8.2 66 50 H R S S+ 0 0 58 72,-0.2 69,-2.8 1,-0.2 2,-0.4 0.385 111.4 83.4-148.9 2.9 54.0 18.1 8.1 67 51 H W E - M 0 134C 29 -3,-0.4 -3,-1.2 67,-0.2 -4,-1.2 -0.962 46.8-169.7-123.9 143.8 52.4 17.2 11.4 68 52 H V E -LM 62 133C 0 65,-2.1 65,-2.4 -2,-0.4 2,-0.5 -0.962 11.9-147.3-126.0 136.7 48.9 17.7 12.7 69 53 H L E +LM 61 132C 0 -8,-2.6 -8,-2.0 -2,-0.4 2,-0.2 -0.926 29.6 150.6-113.3 123.0 47.8 17.1 16.2 70 54 H T E - M 0 131C 0 61,-2.7 61,-2.3 -2,-0.5 2,-0.3 -0.757 47.5 -82.2-135.5-178.9 44.2 16.0 17.0 71 55 H A > - 0 0 0 -12,-0.3 3,-1.4 59,-0.2 4,-0.3 -0.681 31.3-131.6 -90.9 144.9 42.3 14.0 19.5 72 56 H A G >> S+ 0 0 0 -2,-0.3 3,-3.3 1,-0.3 4,-2.0 0.949 102.4 66.1 -59.1 -52.1 42.2 10.2 19.2 73 57 H H G 34 S+ 0 0 18 1,-0.3 -1,-0.3 2,-0.2 162,-0.0 0.497 90.4 69.6 -49.5 -5.0 38.4 9.9 19.6 74 58 H b G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.676 113.3 25.4 -85.9 -21.1 38.1 11.8 16.3 75 59 H L T <4 S+ 0 0 1 -3,-3.3 9,-1.9 -4,-0.3 2,-0.4 0.669 129.5 36.1-111.3 -29.1 39.5 8.8 14.4 76 60 H L E < +P 83 0D 39 -4,-2.0 -1,-0.2 7,-0.2 7,-0.2 -0.903 49.9 139.5-141.1 116.2 38.6 6.0 16.7 77 60AH Y E > > -P 82 0D 29 5,-2.7 5,-2.4 -2,-0.4 3,-2.1 -0.643 20.8-174.0-148.5 81.7 35.6 5.4 18.9 78 60BH P G > 5S+ 0 0 50 0, 0.0 3,-5.0 0, 0.0 -1,-0.1 0.869 77.4 71.9 -45.8 -50.6 34.5 1.7 18.7 79 60CH P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.678 112.3 32.7 -43.0 -18.1 31.3 2.2 20.8 80 60DH W G < 5S- 0 0 164 -3,-2.1 3,-0.1 2,-0.1 -3,-0.0 0.084 118.1-108.1-126.6 20.4 30.0 4.0 17.8 81 60EH D T < 5 + 0 0 152 -3,-5.0 2,-0.7 1,-0.2 -5,-0.0 0.842 64.8 158.6 55.9 33.3 31.8 2.0 15.2 82 60FH K E < +P 77 0D 50 -5,-2.4 -5,-2.7 1,-0.1 -1,-0.2 -0.812 3.8 142.0 -92.2 115.7 34.0 5.0 14.5 83 60GH N E -P 76 0D 113 -2,-0.7 -7,-0.2 -7,-0.2 -8,-0.1 -0.392 22.1-178.6-156.2 77.2 37.2 3.9 12.9 84 60HH F - 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