==== 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-JUN-93 4HTC . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,T.J.RYDEL,W.BODE,R.HUBER . 351 4 7 5 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 24.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 33 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 1 2 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 . 2 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 PARALLEL BRIDGES PER LADDER . 5 5 0 5 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 . 4 1 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 1FL G 0 0 87 0, 0.0 4,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-161.9 75.5 -18.7 45.4 2 1EL S - 0 0 132 2,-0.6 3,-0.1 3,-0.1 4,-0.1 0.940 360.0 -26.8 -81.7 -86.5 74.4 -22.2 46.3 3 1DL G S S+ 0 0 72 1,-0.4 2,-0.3 2,-0.1 0, 0.0 0.797 140.0 41.7 -95.9 -80.7 71.1 -22.1 48.2 4 1CL E S S- 0 0 154 1,-0.1 -2,-0.6 2,-0.0 -1,-0.4 -0.554 101.6-119.4 -66.1 128.9 71.0 -18.7 49.8 5 1BL A - 0 0 64 -2,-0.3 2,-0.6 -4,-0.2 -2,-0.1 -0.018 31.2 -87.8 -61.4 175.6 72.4 -16.4 47.0 6 1AL D > + 0 0 55 -4,-0.1 3,-0.8 -5,-0.0 -1,-0.1 -0.083 64.4 170.2 -79.5 34.7 75.6 -14.3 47.4 7 1 L a T 3 + 0 0 30 -2,-0.6 145,-0.2 1,-0.2 146,-0.1 0.020 52.1 16.8 -53.1 156.6 73.9 -11.2 48.9 8 2 L G T 3 S+ 0 0 0 143,-2.6 245,-2.0 244,-0.1 2,-0.5 0.604 86.0 116.6 51.7 29.0 75.7 -8.3 50.5 9 3 L L < - 0 0 24 -3,-0.8 -1,-0.1 142,-0.3 243,-0.1 -0.974 57.2-143.2-116.2 105.6 79.2 -8.9 49.0 10 4 L R > > - 0 0 0 -2,-0.5 5,-2.6 1,-0.2 3,-1.4 -0.570 4.3-145.4 -78.6 133.9 80.3 -6.0 46.8 11 5 L P T 3 5S+ 0 0 17 0, 0.0 -1,-0.2 0, 0.0 136,-0.1 0.837 101.9 48.1 -55.3 -37.7 82.4 -7.1 43.7 12 6 L L T 3 5S+ 0 0 33 135,-0.5 33,-0.1 32,-0.3 -2,-0.1 0.484 127.5 20.8 -84.4 -6.1 84.4 -3.9 43.9 13 7 L F T X>>S+ 0 0 14 -3,-1.4 5,-2.5 31,-0.1 3,-2.4 0.427 128.7 20.8-121.6-100.6 85.0 -4.3 47.6 14 8 L E G >45S+ 0 0 18 1,-0.3 3,-0.9 3,-0.3 5,-0.1 0.839 124.2 56.4 -46.1 -41.1 84.8 -7.3 49.7 15 9 L K G 34 - 0 0 3 -2,-0.3 3,-0.8 1,-0.1 4,-0.4 -0.442 38.9 -97.7 -75.0 163.4 85.5 1.5 51.3 21 14AL K T 3 S+ 0 0 136 1,-0.2 4,-0.1 2,-0.1 -1,-0.1 0.656 116.3 31.4 -59.4 -28.3 86.8 4.7 53.0 22 14BL T T >> S+ 0 0 37 1,-0.1 4,-0.7 2,-0.1 3,-0.5 0.345 85.1 99.3-119.1 14.1 84.3 4.7 56.0 23 14CL E H X> S+ 0 0 2 -3,-0.8 4,-2.4 1,-0.2 3,-0.8 0.821 77.4 63.2 -62.4 -39.0 83.7 1.0 56.7 24 14DL R H 3> S+ 0 0 136 -4,-0.4 4,-2.9 1,-0.3 5,-0.2 0.858 95.9 59.8 -53.2 -40.0 86.2 1.0 59.5 25 14EL E H <> S+ 0 0 47 -3,-0.5 4,-0.7 1,-0.2 -1,-0.3 0.866 107.4 44.6 -54.9 -41.7 84.0 3.4 61.3 26 14FL L H XX S+ 0 0 0 -3,-0.8 4,-0.8 -4,-0.7 3,-0.7 0.920 111.4 54.7 -67.4 -52.7 81.1 0.9 61.3 27 14GL L H >X S+ 0 0 32 -4,-2.4 3,-1.2 1,-0.3 4,-0.7 0.909 109.7 44.7 -50.4 -52.1 83.4 -1.9 62.4 28 14HL E H 3< S+ 0 0 65 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.688 95.2 74.1 -65.9 -23.1 84.8 -0.2 65.5 29 14IL S H XX S+ 0 0 5 -4,-0.7 3,-1.2 -3,-0.7 4,-0.7 0.894 96.9 55.8 -54.4 -35.9 81.4 1.0 66.6 30 14JL Y H << S+ 0 0 28 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.829 110.7 37.9 -64.3 -41.5 81.0 -2.7 67.5 31 14KL I T 3< S- 0 0 129 -4,-0.7 -1,-0.3 -3,-0.1 -2,-0.2 -0.082 145.0 -66.8-100.2 29.3 84.1 -2.9 69.7 32 14LL D T <4 0 0 117 -3,-1.2 -3,-0.2 135,-0.0 -2,-0.2 0.931 360.0 360.0 75.3 100.5 83.2 0.6 71.0 33 14ML G < 0 0 55 -4,-0.7 -4,-0.7 134,-0.2 -3,-0.2 0.220 360.0 360.0 146.4 360.0 83.5 3.5 68.5 34 !* 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 35 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 135.7 71.9 13.4 53.2 36 17 H V B -A 233 0A 7 197,-3.0 197,-0.9 1,-0.2 143,-0.1 -0.835 360.0 -4.0 -99.6 119.1 73.1 16.1 55.6 37 18 H E S S+ 0 0 112 141,-0.5 -1,-0.2 -2,-0.5 194,-0.2 0.852 102.6 124.3 66.1 35.4 76.9 16.2 56.5 38 19 H G - 0 0 26 -3,-0.4 2,-0.3 140,-0.1 159,-0.2 -0.115 51.1-126.2-104.0-155.7 77.7 13.0 54.4 39 20 H S E -B 196 0B 49 157,-1.4 157,-1.8 -2,-0.1 2,-0.2 -0.889 34.9 -71.7-151.0 170.5 80.2 12.5 51.6 40 21 H D E -B 195 0B 86 -2,-0.3 155,-0.3 155,-0.2 2,-0.2 -0.505 49.8-124.9 -68.5 133.1 80.3 11.3 48.0 41 22 H A - 0 0 3 153,-3.1 2,-0.1 -2,-0.2 3,-0.1 -0.568 26.0-115.0 -74.3 152.8 79.9 7.5 47.8 42 23 H E > - 0 0 51 -2,-0.2 3,-2.0 1,-0.2 4,-0.3 -0.491 47.5 -80.4 -81.1 151.8 82.7 5.7 46.0 43 24 H I T 3 S+ 0 0 85 1,-0.3 -1,-0.2 -2,-0.1 57,-0.1 -0.305 116.7 5.9 -51.4 136.6 81.7 4.0 42.7 44 25 H G T 3 S+ 0 0 12 104,-0.1 -32,-0.3 2,-0.1 -1,-0.3 0.514 89.6 123.9 63.8 9.7 80.0 0.6 43.6 45 26 H M S < S+ 0 0 3 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.716 84.0 28.0 -69.8 -22.2 80.1 1.1 47.3 46 27 H S S > S+ 0 0 13 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.613 70.9 167.3-140.7 71.1 76.2 0.6 47.6 47 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.3 0, 0.0 51,-0.1 0.548 75.7 57.7 -67.5 -12.6 75.4 -1.7 44.7 48 29 H W T 3 S+ 0 0 3 101,-0.2 18,-1.9 103,-0.1 2,-0.2 0.410 78.4 117.6 -92.9 -11.5 72.0 -2.4 46.1 49 30 H Q E < -J 65 0C 4 -3,-1.9 49,-1.0 16,-0.2 2,-0.4 -0.448 45.9-168.0 -64.5 131.7 71.0 1.3 46.1 50 31 H V E -JK 64 97C 0 14,-3.0 14,-1.3 -2,-0.2 2,-0.5 -0.958 16.1-138.8-123.9 148.6 68.0 2.0 43.7 51 32 H M E -JK 63 96C 0 45,-3.1 45,-2.1 -2,-0.4 2,-0.8 -0.899 10.5-147.2-104.4 127.8 66.5 5.3 42.4 52 33 H L E -JK 62 95C 0 10,-3.1 9,-3.2 -2,-0.5 10,-1.0 -0.853 26.7-164.1 -95.5 114.1 62.7 5.6 42.3 53 34 H F E -JK 60 94C 0 41,-2.6 41,-2.6 -2,-0.8 2,-0.3 -0.877 17.6-137.2-115.4 125.5 62.1 7.8 39.3 54 35 H R E > -JK 59 93C 45 5,-3.6 5,-1.3 -2,-0.5 39,-0.2 -0.611 10.2-155.1 -72.8 127.9 59.0 9.7 38.2 55 36 H K T 5S+ 0 0 25 37,-2.1 3,-0.4 -2,-0.3 -1,-0.1 0.924 74.4 47.6 -73.2 -50.5 58.3 9.4 34.5 56 36AH S T 5S+ 0 0 106 1,-0.5 -1,-0.3 36,-0.4 2,-0.1 -0.940 124.8 17.7-143.1 112.4 56.2 12.6 34.0 57 37 H P T 5S- 0 0 77 0, 0.0 -1,-0.5 0, 0.0 2,-0.2 0.615 106.6-119.8 -75.2 153.5 57.3 15.0 35.1 58 38 H Q T 5 + 0 0 74 -3,-0.4 2,-0.3 -2,-0.1 -3,-0.2 -0.361 55.4 141.6 -59.7 120.4 60.9 13.5 35.5 59 39 H E E < -J 54 0C 9 -5,-1.3 -5,-3.6 -2,-0.2 2,-0.7 -0.974 56.7-106.0-165.1 153.2 61.8 13.5 39.1 60 40 H L E +J 53 0C 4 -2,-0.3 -7,-0.3 -7,-0.2 281,-0.2 -0.710 33.9 178.6 -80.6 115.4 63.5 11.6 41.8 61 41 H L E - 0 0 14 -9,-3.2 2,-0.3 -2,-0.7 176,-0.2 0.945 53.5 -44.8 -82.6 -48.9 60.8 10.2 44.1 62 42 H b E -J 52 0C 6 -10,-1.0 -10,-3.1 176,-0.1 -1,-0.3 -0.961 54.8 -90.6-168.7 173.5 62.8 8.2 46.7 63 43 H G E +J 51 0C 1 176,-2.4 12,-0.4 -2,-0.3 2,-0.3 -0.441 40.7 171.8 -91.1 177.8 65.6 5.7 47.3 64 44 H A E -J 50 0C 0 -14,-1.3 -14,-3.0 -2,-0.2 2,-0.3 -0.908 21.9-120.5-171.3 177.1 65.2 1.9 47.4 65 45 H S E -JL 49 73C 0 8,-1.4 8,-3.2 -16,-0.3 2,-0.5 -0.994 15.5-125.6-144.8 140.9 67.2 -1.3 47.6 66 46 H L E + L 0 72C 0 -18,-1.9 86,-1.9 -2,-0.3 6,-0.2 -0.765 27.4 170.3 -83.3 116.4 67.6 -4.5 45.5 67 47 H I - 0 0 24 4,-2.8 2,-0.3 -2,-0.5 5,-0.2 0.511 69.8 -8.4-112.4 -10.5 66.9 -7.6 47.5 68 48 H S S S- 0 0 36 3,-1.1 -1,-0.4 82,-0.0 3,-0.2 -0.887 90.2 -78.0-167.8 178.0 66.9 -10.1 44.6 69 49 H D S S+ 0 0 71 -2,-0.3 74,-2.3 1,-0.2 3,-0.1 0.371 129.8 24.6 -73.3 3.0 67.0 -9.9 40.8 70 50 H R S S+ 0 0 40 72,-0.2 69,-2.5 1,-0.2 2,-0.4 0.514 106.8 78.6-140.2 -13.3 63.4 -9.1 40.7 71 51 H W E - M 0 138C 23 67,-0.2 -4,-2.8 -3,-0.2 -3,-1.1 -0.930 48.2-170.8-117.7 135.9 62.4 -7.5 44.1 72 52 H V E -LM 66 137C 0 65,-2.1 65,-1.7 -2,-0.4 2,-0.5 -0.966 13.4-145.8-120.1 128.9 62.9 -3.9 45.3 73 53 H L E +LM 65 136C 0 -8,-3.2 -8,-1.4 -2,-0.4 2,-0.2 -0.880 30.7 150.7-105.2 128.8 62.3 -2.8 48.9 74 54 H T E - M 0 135C 0 61,-2.5 61,-1.9 -2,-0.5 2,-0.3 -0.793 46.9 -79.5-140.4-177.2 61.0 0.8 49.6 75 55 H A > - 0 0 0 -12,-0.4 3,-0.7 -2,-0.2 4,-0.5 -0.607 32.8-130.0 -87.6 147.3 59.0 2.8 52.0 76 56 H A G >> S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.2 4,-1.8 0.934 105.5 62.5 -64.6 -43.3 55.2 2.7 51.7 77 57 H H G 34 S+ 0 0 4 1,-0.3 -1,-0.2 2,-0.2 183,-0.0 0.672 90.5 68.3 -57.0 -20.6 55.0 6.6 51.8 78 58 H b G <4 S+ 0 0 1 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.2 0.782 116.5 23.8 -66.3 -30.8 57.0 6.8 48.5 79 59 H L T <4 S+ 0 0 1 -3,-1.9 9,-1.8 -4,-0.5 2,-0.4 0.793 130.6 33.8-103.1 -36.7 54.0 5.1 46.6 80 60 H L E < +P 87 0D 45 -4,-1.8 -1,-0.3 7,-0.2 7,-0.2 -0.974 57.3 138.8-133.7 114.6 51.0 6.0 48.8 81 60AH Y E > > -P 86 0D 2 5,-3.2 5,-2.5 -2,-0.4 3,-1.5 -0.702 23.5-171.8-160.1 88.4 50.5 9.1 50.8 82 60BH P G > 5S+ 0 0 49 0, 0.0 3,-4.9 0, 0.0 -1,-0.1 0.886 80.8 71.9 -54.9 -44.7 47.0 10.5 50.6 83 60CH P G 3 5S+ 0 0 23 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.784 112.1 31.4 -41.4 -37.7 48.0 13.7 52.5 84 60DH W G < 5S- 0 0 56 -3,-1.5 3,-0.1 2,-0.1 254,-0.0 0.063 116.1-114.6-107.0 18.7 49.8 14.7 49.2 85 60EH D T < 5 + 0 0 93 -3,-4.9 2,-0.6 1,-0.2 -5,-0.0 0.925 62.8 159.7 46.6 49.0 47.3 12.8 47.1 86 60FH K E < +P 81 0D 16 -5,-2.5 -5,-3.2 1,-0.0 -1,-0.2 -0.924 8.6 141.0-104.5 119.5 50.2 10.6 46.2 87 60GH N E -P 80 0D 114 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.472 28.5-171.9-156.1 75.5 49.0 7.2 44.9 88 60HH F - 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