==== 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 24-OCT-91 1PPB . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.BODE . 296 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 59.5 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 . 77 26.0 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 . 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 . 22 7.4 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 . 6 2.0 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 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 3 2 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 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 1HL T 0 0 135 0, 0.0 293,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.9 -8.1 49.1 20.4 2 1GL F - 0 0 87 291,-0.1 290,-0.1 294,-0.1 293,-0.1 0.395 360.0-148.8-114.6 -15.7 -7.8 46.1 22.7 3 1FL G + 0 0 2 291,-0.2 70,-0.3 289,-0.1 71,-0.2 0.925 68.2 104.2 24.1 78.2 -10.2 43.1 22.4 4 1EL S - 0 0 3 68,-0.1 68,-3.1 67,-0.1 2,-0.8 0.813 53.5-175.6-149.9 -63.2 -9.8 42.5 26.2 5 1DL G S S+ 0 0 52 66,-0.2 3,-0.1 67,-0.1 66,-0.1 0.273 77.0 97.8 60.3 -24.1 -11.3 42.8 29.9 6 1CL E + 0 0 36 -2,-0.8 2,-2.3 1,-0.1 65,-0.1 0.972 27.5 121.0 -64.9 -78.5 -7.9 41.5 31.1 7 1BL A S S+ 0 0 66 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.193 73.4 66.1 19.9 11.0 -5.4 44.3 32.3 8 1AL D S > S+ 0 0 59 -2,-2.3 3,-1.3 -3,-0.1 -1,-0.3 -0.354 86.8 158.1-127.3 34.3 -5.1 43.0 35.8 9 1 L a T 3 + 0 0 9 1,-0.3 146,-0.3 146,-0.1 147,-0.1 -0.149 48.9 22.6 -75.0 151.8 -3.4 40.1 33.9 10 2 L G T 3 S+ 0 0 0 144,-2.8 246,-1.7 1,-0.2 2,-0.5 0.429 91.8 111.7 75.4 -8.2 -1.1 37.7 35.5 11 3 L L < - 0 0 31 -3,-1.3 -1,-0.2 143,-0.3 244,-0.1 -0.915 60.0-147.0-101.9 130.6 -2.4 38.3 39.0 12 4 L R > > - 0 0 0 -2,-0.5 5,-2.0 1,-0.1 3,-1.3 -0.721 7.9-137.2-112.6 122.4 -4.1 35.3 40.2 13 5 L P I 3 >S+ 0 0 13 0, 0.0 5,-0.7 0, 0.0 -1,-0.1 0.939 100.3 41.0 -44.3 -64.6 -7.1 35.5 42.5 14 6 L L I 3 5S+ 0 0 29 136,-0.6 34,-0.1 33,-0.2 136,-0.0 0.468 129.8 25.4 -67.6 -3.0 -6.4 32.7 45.0 15 7 L F I < >S+ 0 0 11 -3,-1.3 5,-2.7 32,-0.1 3,-0.2 0.541 127.0 22.8-128.5 -82.1 -2.6 33.6 45.2 16 8 L E I > 5S+ 0 0 21 -4,-0.3 3,-1.8 1,-0.2 -2,-0.1 0.931 124.2 52.4 -66.2 -39.8 -1.2 37.1 44.5 17 9 L K I 3 > - 0 0 5 -2,-0.4 3,-1.9 1,-0.1 4,-0.5 -0.589 35.6-102.0 -81.2 164.0 1.9 28.5 45.4 23 14AL K T 34 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.536 115.6 24.7 -66.4 -18.8 3.8 25.5 46.7 24 14BL T T 34 S+ 0 0 39 2,-0.1 3,-0.4 1,-0.0 4,-0.4 0.059 92.9 104.1-128.4 17.8 6.6 25.4 44.0 25 14CL E T X> + 0 0 8 -3,-1.9 4,-1.2 1,-0.2 3,-1.1 0.886 67.3 64.1 -76.7 -40.8 6.6 29.1 43.1 26 14DL R H 3X S+ 0 0 153 -4,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.792 92.1 72.0 -55.8 -22.0 9.7 30.3 44.9 27 14EL E H 3> S+ 0 0 44 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.877 96.7 45.0 -59.0 -41.9 11.8 27.9 42.6 28 14FL L H <> S+ 0 0 0 -3,-1.1 4,-0.6 -4,-0.4 144,-0.5 0.902 114.5 49.8 -75.8 -36.7 11.4 30.0 39.5 29 14GL L H >< S+ 0 0 30 -4,-1.2 3,-1.6 1,-0.2 -2,-0.2 0.944 107.0 55.7 -61.6 -51.0 12.2 33.1 41.5 30 14HL E H 3< S+ 0 0 101 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.800 102.9 56.1 -50.6 -37.9 15.3 31.3 42.9 31 14IL S H 3< S+ 0 0 22 -4,-1.6 2,-2.8 1,-0.2 -1,-0.3 0.748 77.4 103.8 -66.2 -18.9 16.5 30.6 39.3 32 14JL Y S << S- 0 0 22 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.2 -0.317 120.8 -45.1 -91.3 57.8 16.5 34.4 38.4 33 14KL I S S- 0 0 144 -2,-2.8 2,-0.3 -3,-0.1 -1,-0.2 -0.793 107.5 -66.8 157.4 -51.2 20.0 34.7 38.6 34 14LL D - 0 0 118 -2,-0.3 -3,-0.1 1,-0.2 2,-0.0 -0.743 63.7 -97.8-147.8-148.8 20.2 32.9 41.7 35 14ML G 0 0 40 -2,-0.3 -1,-0.2 -4,-0.1 -5,-0.0 0.467 360.0 360.0 -81.6-112.4 18.7 34.3 44.9 36 15 L R 0 0 276 -2,-0.0 -6,-0.0 0, 0.0 0, 0.0 -0.823 360.0 360.0-168.5 360.0 20.4 36.1 47.7 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 H I 0 0 1 0, 0.0 2,-0.4 0, 0.0 199,-0.2 0.000 360.0 360.0 360.0 134.8 3.0 16.3 31.4 39 17 H V B +A 236 0A 16 197,-2.4 197,-1.7 1,-0.1 143,-0.1 -0.923 360.0 2.4-104.9 132.5 5.8 13.8 32.4 40 18 H E S S+ 0 0 129 -2,-0.4 194,-0.2 141,-0.4 -1,-0.1 0.678 103.1 116.3 65.9 25.7 7.3 13.9 35.9 41 19 H G - 0 0 28 -3,-0.2 2,-0.3 195,-0.1 159,-0.2 -0.055 54.0-127.7-101.1-157.5 5.1 16.7 37.1 42 20 H S E -B 199 0B 57 157,-1.7 157,-2.8 -3,-0.1 2,-0.1 -0.924 32.5 -64.7-151.5 173.5 2.5 16.8 39.7 43 21 H D E -B 198 0B 93 -2,-0.3 155,-0.2 155,-0.2 2,-0.2 -0.417 52.7-120.9 -61.7 135.3 -1.0 17.8 40.5 44 22 H A - 0 0 8 153,-2.5 2,-0.2 59,-0.1 -1,-0.1 -0.471 19.7-116.9 -74.8 146.2 -1.9 21.5 40.3 45 23 H E > - 0 0 61 -2,-0.2 3,-1.3 1,-0.1 4,-0.3 -0.543 47.4 -91.2 -70.3 154.2 -3.2 23.5 43.2 46 24 H I T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.429 110.3 9.7 -71.2 137.9 -6.8 24.8 42.5 47 25 H G T 3 S+ 0 0 12 -2,-0.1 -1,-0.3 2,-0.1 -33,-0.2 0.324 91.7 118.4 75.1 -7.2 -6.8 28.2 40.8 48 26 H M S < S+ 0 0 2 -3,-1.3 -2,-0.1 1,-0.3 3,-0.1 0.617 85.6 29.7 -69.5 -12.6 -2.9 28.2 40.2 49 27 H S S > S+ 0 0 12 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.451 70.4 162.7-134.4 68.5 -3.2 28.5 36.4 50 28 H P T 3 S+ 0 0 4 0, 0.0 103,-1.6 0, 0.0 51,-0.2 0.649 75.2 61.4 -71.7 -6.5 -6.5 30.4 36.1 51 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.5 103,-0.1 104,-0.1 0.638 76.4 115.6 -85.7 -17.9 -5.5 31.1 32.5 52 30 H Q E < -J 68 0C 3 -3,-2.1 49,-0.9 16,-0.2 2,-0.4 -0.198 46.3-168.7 -56.8 136.9 -5.4 27.4 31.5 53 31 H V E -JK 67 100C 0 14,-2.0 14,-1.4 47,-0.2 2,-0.6 -0.968 15.5-138.5-133.3 141.3 -8.0 26.5 28.8 54 32 H M E -JK 66 99C 0 45,-2.4 45,-2.4 -2,-0.4 2,-0.6 -0.928 10.7-147.9-105.0 117.0 -9.0 23.1 27.6 55 33 H L E -JK 65 98C 0 10,-2.4 9,-2.9 -2,-0.6 10,-1.3 -0.809 26.0-175.4 -88.8 127.1 -9.5 22.6 23.9 56 34 H F E -JK 63 97C 22 41,-2.5 41,-3.0 -2,-0.6 2,-0.3 -0.943 22.0-133.0-137.7 128.9 -12.2 20.1 23.5 57 35 H R E > -JK 62 96C 64 5,-2.7 5,-0.9 -2,-0.4 39,-0.3 -0.660 13.7-141.8 -87.9 144.3 -13.6 18.4 20.4 58 36 H K T 5S+ 0 0 73 37,-2.7 3,-0.2 1,-0.3 -1,-0.1 0.971 79.5 40.5 -75.2 -48.5 -17.5 18.2 20.1 59 36AH S T 5S+ 0 0 97 1,-0.4 -1,-0.3 36,-0.3 2,-0.1 -0.959 121.3 26.7-151.7 111.9 -18.1 14.9 18.5 60 37 H P T 5S- 0 0 69 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.575 102.3-123.6 -69.4 142.7 -16.4 12.6 19.5 61 38 H Q T 5 + 0 0 145 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.2 -0.383 52.9 152.8 -55.4 121.6 -15.9 14.2 22.9 62 39 H E E < -J 57 0C 82 -5,-0.9 -5,-2.7 -2,-0.2 2,-0.5 -0.986 50.2-123.5-155.7 134.9 -12.2 14.3 23.1 63 40 H L E +J 56 0C 45 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.810 36.3 171.4 -72.6 128.8 -9.6 16.4 24.9 64 41 H L E - 0 0 22 -9,-2.9 2,-0.3 -2,-0.5 176,-0.2 0.781 50.4 -30.5-106.3 -31.3 -7.3 17.7 22.0 65 42 H b E -J 55 0C 1 -10,-1.3 -10,-2.4 176,-0.1 -1,-0.4 -0.897 56.4-101.9-166.7 174.7 -4.9 20.4 23.4 66 43 H G E +J 54 0C 2 176,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.526 33.7 178.9-101.0 176.1 -4.5 23.1 26.0 67 44 H A E -J 53 0C 0 -14,-1.4 -14,-2.0 -2,-0.2 2,-0.3 -0.894 20.1-117.7-160.5-178.8 -4.8 26.8 25.4 68 45 H S E -JL 52 76C 0 8,-1.4 8,-2.6 -2,-0.3 2,-0.6 -0.999 14.0-126.0-140.3 142.8 -4.5 30.0 27.4 69 46 H L E + L 0 75C 0 -18,-2.5 86,-2.2 -2,-0.3 6,-0.2 -0.762 32.5 164.6 -78.6 116.7 -6.8 32.9 28.3 70 47 H I E S- 0 0 7 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.343 71.1 -7.5-111.4 5.7 -5.1 36.2 27.3 71 48 H S E > S- L 0 74C 0 3,-0.7 3,-0.6 -65,-0.1 -1,-0.4 -0.913 86.7 -85.0 170.3 157.1 -8.3 38.4 27.5 72 49 H D T 3 S+ 0 0 20 -68,-3.1 74,-1.8 -2,-0.3 -68,-0.1 0.609 128.0 29.6 -63.3 -10.3 -12.0 37.9 28.1 73 50 H R T 3 S+ 0 0 48 -70,-0.3 69,-3.0 -69,-0.2 2,-0.4 0.545 109.8 72.9-122.1 -11.4 -12.5 37.2 24.4 74 51 H W E < -LM 71 141C 6 -3,-0.6 -4,-2.2 67,-0.2 -3,-0.7 -0.909 46.9-177.5-126.4 132.0 -9.2 35.7 23.2 75 52 H V E -LM 69 140C 0 65,-2.7 65,-2.5 -2,-0.4 2,-0.4 -0.976 15.8-148.5-122.9 135.6 -7.6 32.4 23.7 76 53 H L E +LM 68 139C 0 -8,-2.6 -8,-1.4 -2,-0.4 2,-0.2 -0.855 27.0 151.6-106.1 139.0 -4.1 31.5 22.3 77 54 H T E - M 0 138C 0 61,-2.9 61,-1.6 -2,-0.4 2,-0.4 -0.863 48.9 -75.0-146.9-174.0 -3.0 28.0 21.2 78 55 H A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.2 4,-0.4 -0.756 35.8-135.9 -84.2 138.4 -0.7 26.0 18.8 79 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-1.8 0.862 101.0 66.5 -60.6 -31.4 -1.9 26.0 15.2 80 57 H H G 34 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.2 162,-0.0 0.600 87.9 68.3 -67.0 -17.7 -1.1 22.3 14.8 81 58 H b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.742 116.8 24.6 -65.9 -26.8 -3.9 21.6 17.3 82 59 H L T <4 S+ 0 0 0 -3,-1.8 9,-2.9 -4,-0.4 2,-0.5 0.776 131.5 26.7-106.2 -42.1 -6.3 22.8 14.6 83 60 H L E < +P 90 0D 41 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.994 55.7 141.4-135.9 119.4 -4.6 22.3 11.2 84 60AH Y E > > -P 89 0D 14 5,-2.3 3,-1.5 -2,-0.5 5,-1.1 -0.589 25.1-169.3-153.7 87.1 -2.0 19.7 10.5 85 60BH P G > 5S+ 0 0 52 0, 0.0 3,-2.3 0, 0.0 5,-0.1 0.829 78.7 70.1 -50.5 -36.7 -2.6 18.3 7.0 86 60CH P G 3 5S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.822 107.4 36.7 -49.2 -37.4 -0.1 15.3 7.5 87 60DH W G < 5S- 0 0 153 -3,-1.5 0, 0.0 2,-0.1 0, 0.0 0.082 123.4-104.6-105.1 20.9 -2.4 13.6 10.0 88 60EH D T < 5 + 0 0 154 -3,-2.3 2,-0.5 1,-0.2 -5,-0.0 0.967 68.0 159.5 55.3 61.7 -5.5 14.7 8.0 89 60FH K E < +P 84 0D 39 -5,-1.1 -5,-2.3 2,-0.0 -1,-0.2 -0.950 13.1 143.8-127.5 119.3 -6.3 17.4 10.6 90 60GH N E -P 83 0D 110 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.494 19.4-175.2-154.3 77.3 -8.5 20.4 10.0 91 60HH F - 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