==== 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 19-AUG-92 1DWB . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,P.HADVARY . 295 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 61.0 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 . 79 26.8 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.5 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 1 0 0 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 . 3 4 1 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 -70.5 64.4 26.8 16.7 2 1BL A - 0 0 92 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.353 360.0-108.2 -60.0 142.5 61.7 26.9 14.0 3 1AL D + 0 0 70 2,-0.0 2,-0.3 146,-0.0 -1,-0.1 -0.536 51.9 151.3 -80.2 143.3 59.4 29.9 14.7 4 1 L a + 0 0 27 -2,-0.2 144,-0.2 142,-0.1 3,-0.1 -0.969 45.5 47.9-157.8 159.1 56.0 29.3 16.0 5 2 L G S S+ 0 0 0 142,-2.0 244,-0.9 -2,-0.3 2,-0.8 0.331 80.7 109.7 87.5 -9.5 53.5 31.1 18.0 6 3 L L - 0 0 28 141,-0.2 -1,-0.1 242,-0.2 242,-0.1 -0.864 63.6-140.9-108.2 105.1 53.9 34.3 16.2 7 4 L R > > - 0 0 0 -2,-0.8 5,-2.2 1,-0.1 3,-1.3 -0.427 5.3-142.0 -65.8 127.5 50.9 35.2 14.1 8 5 L P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.806 101.0 39.7 -58.3 -33.4 51.8 36.7 10.8 9 6 L L T 3 5S+ 0 0 34 31,-0.4 -2,-0.1 134,-0.4 32,-0.1 0.399 130.6 23.8 -99.7 6.5 48.9 39.2 10.8 10 7 L F T X >S+ 0 0 13 -3,-1.3 5,-2.4 30,-0.1 3,-1.6 0.478 124.5 27.8-126.4 -87.6 49.1 39.9 14.5 11 8 L E G > 5S+ 0 0 18 1,-0.3 3,-1.9 3,-0.2 -5,-0.1 0.933 125.0 49.8 -46.5 -55.3 52.2 39.5 16.6 12 9 L K G 3 - 0 0 3 -2,-0.3 3,-1.3 1,-0.1 4,-0.5 -0.456 35.5-100.2 -85.4 160.4 43.3 40.7 18.5 18 14AL K T 3 S+ 0 0 175 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.735 115.8 23.2 -47.2 -36.5 40.0 41.7 20.1 19 14BL T T >> S+ 0 0 47 1,-0.1 3,-0.8 2,-0.1 4,-0.7 0.279 86.9 107.8-122.0 16.1 40.0 39.5 23.1 20 14CL E H X> S+ 0 0 3 -3,-1.3 4,-1.5 1,-0.2 3,-0.9 0.843 74.8 60.1 -57.7 -40.6 43.7 38.8 23.5 21 14DL R H 3> S+ 0 0 133 -4,-0.5 4,-3.4 1,-0.3 5,-0.3 0.765 92.0 65.2 -61.8 -30.9 43.9 41.1 26.6 22 14EL E H <> S+ 0 0 55 -3,-0.8 4,-1.3 2,-0.2 -1,-0.3 0.875 105.2 47.6 -60.3 -34.4 41.4 39.1 28.6 23 14FL L H << S+ 0 0 0 -3,-0.9 142,-0.5 -4,-0.7 4,-0.3 0.970 114.2 45.6 -66.9 -54.0 44.0 36.3 28.4 24 14GL L H >X S+ 0 0 36 -4,-1.5 3,-1.4 1,-0.2 4,-1.0 0.856 111.7 50.1 -57.6 -44.9 46.8 38.6 29.5 25 14HL E H 3< S+ 0 0 87 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 95.5 71.8 -67.3 -31.7 45.0 40.2 32.3 26 14IL S T 3< S+ 0 0 10 -4,-1.3 3,-0.4 -5,-0.3 -1,-0.3 0.712 98.6 51.1 -57.2 -15.4 44.0 36.9 33.7 27 14JL Y T <4 S+ 0 0 28 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.898 106.3 50.5 -85.2 -46.8 47.7 36.5 34.7 28 14KL I < 0 0 126 -4,-1.0 -1,-0.2 -3,-0.1 -2,-0.2 0.054 360.0 360.0 -81.5 26.4 48.1 39.7 36.5 29 14LL D 0 0 180 -3,-0.4 -3,-0.0 -4,-0.1 135,-0.0 -0.609 360.0 360.0 -77.7 360.0 45.1 39.4 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 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.6 31.7 26.7 20.3 32 17 H V B 3 -A 229 0A 5 197,-3.2 197,-1.4 1,-0.2 143,-0.1 -0.791 360.0 -2.9 -96.2 131.7 29.1 27.9 22.8 33 18 H E T 3 S+ 0 0 113 141,-0.5 -1,-0.2 -2,-0.4 194,-0.1 0.815 102.4 131.9 61.5 33.1 28.8 31.6 23.6 34 19 H G < - 0 0 22 -3,-0.5 2,-0.3 159,-0.1 159,-0.2 0.143 48.6-124.2 -91.6-149.5 31.8 32.4 21.5 35 20 H S E -B 192 0B 64 157,-0.8 157,-2.3 -3,-0.0 2,-0.3 -0.959 32.3 -83.5-154.4 164.0 32.5 35.0 18.8 36 21 H D E -B 191 0B 107 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.562 49.3-124.8 -74.6 136.7 33.6 35.1 15.2 37 22 H A - 0 0 4 153,-3.2 2,-0.1 -2,-0.3 3,-0.1 -0.468 21.3-114.1 -78.2 158.8 37.2 34.9 15.0 38 23 H E > - 0 0 49 1,-0.1 3,-1.5 -2,-0.1 4,-0.3 -0.408 49.2 -80.9 -80.0 161.5 39.1 37.6 13.2 39 24 H I T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.436 115.5 10.0 -68.4 138.0 40.9 36.6 10.0 40 25 H G T 3 S+ 0 0 13 -2,-0.2 -31,-0.4 2,-0.1 -1,-0.3 0.693 87.7 129.0 70.8 18.7 44.3 34.9 10.6 41 26 H M S < S+ 0 0 6 -3,-1.5 -2,-0.1 1,-0.3 -34,-0.1 0.761 81.6 23.3 -72.9 -33.5 43.6 34.7 14.4 42 27 H S > + 0 0 11 -4,-0.3 3,-2.0 102,-0.1 -1,-0.3 -0.657 67.7 169.6-135.8 74.8 44.4 31.0 14.6 43 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.4 0, 0.0 99,-0.1 0.555 77.9 60.9 -65.1 -9.7 46.7 30.2 11.7 44 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.4 103,-0.1 2,-0.4 0.393 77.0 117.2 -96.6 0.7 47.4 26.9 13.3 45 30 H Q E < -J 61 0C 2 -3,-2.0 49,-1.0 16,-0.2 50,-0.4 -0.614 44.3-171.0 -77.8 125.5 43.7 25.8 13.1 46 31 H V E -JK 60 93C 0 14,-2.8 14,-1.0 -2,-0.4 2,-0.4 -0.864 14.1-142.4-116.3 146.0 43.1 22.8 11.0 47 32 H M E -JK 59 92C 0 45,-2.7 45,-2.7 -2,-0.3 2,-0.8 -0.911 10.6-141.5-110.1 134.9 39.8 21.3 9.9 48 33 H L E -JK 58 91C 0 10,-2.7 9,-2.7 -2,-0.4 10,-0.9 -0.860 25.3-166.3 -97.6 106.0 39.4 17.5 9.6 49 34 H F E -JK 56 90C 0 41,-2.2 41,-2.8 -2,-0.8 2,-0.4 -0.783 12.9-142.6-101.0 138.1 37.3 16.9 6.5 50 35 H R E > -JK 55 89C 71 5,-2.6 5,-0.9 -2,-0.4 39,-0.2 -0.789 8.4-145.5 -95.4 134.0 35.6 13.6 5.6 51 36 H K T 5S+ 0 0 54 37,-2.1 3,-0.2 -2,-0.4 -1,-0.1 0.961 77.8 38.6 -63.4 -58.3 35.5 12.6 1.9 52 36AH S T 5S+ 0 0 104 1,-0.5 -1,-0.2 36,-0.3 2,-0.1 -0.909 123.8 26.3-148.1 114.8 32.1 10.8 1.6 53 37 H P T 5S- 0 0 73 0, 0.0 -1,-0.5 0, 0.0 2,-0.5 0.500 102.4-130.9 -73.8 152.1 30.0 11.8 3.0 54 38 H Q T 5 + 0 0 67 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.2 -0.557 52.7 134.8 -68.7 119.8 31.5 15.3 3.0 55 39 H E E < -J 50 0C 71 -5,-0.9 -5,-2.6 -2,-0.5 2,-0.6 -0.983 60.5 -95.1-166.1 158.6 31.4 16.5 6.5 56 40 H L E +J 49 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.670 35.9 174.3 -80.7 113.8 33.2 18.1 9.2 57 41 H L E - 0 0 26 -9,-2.7 2,-0.3 -2,-0.6 176,-0.2 0.939 52.7 -45.9 -84.9 -52.5 34.8 15.6 11.5 58 42 H b E -J 48 0C 4 -10,-0.9 -10,-2.7 176,-0.1 -1,-0.3 -0.984 50.1 -89.3-168.3 177.3 36.8 17.6 14.0 59 43 H G E +J 47 0C 2 176,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.351 40.2 167.6 -92.3 174.0 39.3 20.3 14.7 60 44 H A E -J 46 0C 0 -14,-1.0 -14,-2.8 10,-0.1 2,-0.3 -0.936 24.3-117.5-176.7 165.9 43.1 19.9 14.9 61 45 H S E -JL 45 69C 0 8,-2.7 8,-2.6 -2,-0.3 2,-0.8 -0.915 13.4-126.4-127.4 154.0 46.2 21.9 15.0 62 46 H L E + L 0 68C 0 -18,-2.4 86,-2.2 -2,-0.3 6,-0.2 -0.824 28.3 168.1 -93.9 109.9 49.3 22.5 12.9 63 47 H I E - 0 0 21 4,-1.7 2,-0.3 -2,-0.8 5,-0.2 0.444 66.8 -11.7-100.2 -0.8 52.4 21.9 14.9 64 48 H S E > S- L 0 67C 33 3,-1.1 3,-0.7 -20,-0.1 -1,-0.3 -0.945 84.4 -68.4 175.4 166.1 54.6 21.9 11.9 65 49 H D T 3 S+ 0 0 77 -2,-0.3 74,-2.5 1,-0.3 3,-0.1 0.550 129.8 9.2 -36.7 -22.8 55.2 21.8 8.2 66 50 H R T 3 S+ 0 0 62 72,-0.2 69,-3.1 1,-0.1 2,-0.4 0.382 110.6 86.0-146.9 -0.5 54.0 18.2 8.1 67 51 H W E < -LM 64 134C 25 -3,-0.7 -4,-1.7 67,-0.2 -3,-1.1 -0.945 46.2-170.5-121.1 140.3 52.4 17.3 11.4 68 52 H V E -LM 62 133C 0 65,-2.1 65,-2.2 -2,-0.4 2,-0.5 -0.953 11.5-149.3-122.0 132.5 48.9 17.7 12.8 69 53 H L E +LM 61 132C 0 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.2 -0.890 29.2 152.7-107.5 127.2 47.9 17.2 16.3 70 54 H T E - M 0 131C 0 61,-2.9 61,-1.8 -2,-0.5 2,-0.3 -0.798 46.6 -82.3-139.7-176.2 44.3 16.0 17.0 71 55 H A > - 0 0 0 -12,-0.4 3,-1.2 -2,-0.2 4,-0.3 -0.699 31.1-135.3 -91.4 144.2 42.3 14.1 19.5 72 56 H A G >> S+ 0 0 0 -2,-0.3 3,-3.1 1,-0.2 4,-2.1 0.950 100.4 66.1 -64.4 -47.6 42.2 10.3 19.2 73 57 H H G 34 S+ 0 0 23 1,-0.3 -1,-0.2 2,-0.2 162,-0.0 0.525 91.8 67.8 -51.7 -5.4 38.5 9.9 19.7 74 58 H b G <4 S+ 0 0 1 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.689 113.1 27.1 -86.1 -22.2 38.2 11.8 16.3 75 59 H L T <4 S+ 0 0 1 -3,-3.1 9,-1.8 -4,-0.3 2,-0.4 0.738 129.4 31.7-107.8 -32.9 39.6 8.9 14.5 76 60 H L E < +P 83 0D 42 -4,-2.1 -1,-0.2 7,-0.2 7,-0.2 -0.921 51.8 136.9-142.2 118.3 38.8 6.0 16.6 77 60AH Y E > > -P 82 0D 56 5,-2.3 3,-2.2 -2,-0.4 5,-2.2 -0.600 22.2-172.3-155.9 82.2 35.9 5.3 18.9 78 60BH P G > 5S+ 0 0 50 0, 0.0 3,-5.6 0, 0.0 -1,-0.1 0.870 77.7 78.0 -42.7 -51.9 34.7 1.7 18.5 79 60CH P G 3 5S+ 0 0 58 0, 0.0 44,-0.0 0, 0.0 -3,-0.0 0.676 109.3 30.6 -35.3 -22.0 31.6 2.5 20.8 80 60DH W G < 5S- 0 0 186 -3,-2.2 3,-0.1 2,-0.1 -3,-0.0 0.023 119.3-105.2-129.9 26.1 30.2 4.1 17.7 81 60EH D T < 5 + 0 0 153 -3,-5.6 2,-0.6 1,-0.2 -5,-0.0 0.812 67.9 158.6 53.8 30.7 31.8 2.0 15.2 82 60FH K E < +P 77 0D 47 -5,-2.2 -5,-2.3 1,-0.1 -1,-0.2 -0.759 3.7 143.2 -88.7 116.4 34.2 5.0 14.5 83 60GH N E -P 76 0D 112 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.315 23.2-174.2-154.9 72.6 37.4 3.9 12.8 84 60HH F - 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