==== 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 SUBSTRATE 13-NOV-99 1DE7 . COMPND 2 MOLECULE: ALPHA-THROMBIN (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.SADASIVAN,V.C.YEE . 574 8 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 39 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 2 4 0 2 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 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 . 8 10 0 8 6 4 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 . 2 0 0 0 0 2 0 0 2 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 0 113 0, 0.0 3,-1.2 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 113.7 6.9 6.1 -6.6 2 1BL A T 3 + 0 0 94 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.723 360.0 40.5 -60.2 -25.9 5.5 8.8 -9.0 3 1AL D T > S+ 0 0 60 144,-0.0 3,-1.2 2,-0.0 -1,-0.2 0.349 86.5 137.3-108.6 6.3 2.1 7.2 -8.8 4 1 L a T < + 0 0 15 -3,-1.2 143,-0.2 1,-0.2 144,-0.1 -0.036 63.7 18.0 -55.2 148.5 2.0 6.4 -5.1 5 2 L G T 3 S+ 0 0 0 141,-2.5 237,-2.0 236,-0.2 2,-0.6 0.451 90.9 113.3 73.7 2.3 -1.1 7.0 -2.9 6 3 L L < - 0 0 26 -3,-1.2 -1,-0.1 140,-0.3 235,-0.1 -0.924 60.5-141.5-109.8 114.0 -3.6 7.3 -5.7 7 4 L R > > - 0 0 0 -2,-0.6 5,-1.9 1,-0.1 3,-1.8 -0.616 4.9-142.1 -82.8 123.0 -6.1 4.4 -5.8 8 5 L P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.779 102.6 41.9 -48.0 -35.3 -7.1 3.0 -9.2 9 6 L L T 3 5S+ 0 0 36 133,-0.5 31,-0.1 30,-0.3 -2,-0.0 0.414 129.8 21.5 -95.9 -1.8 -10.8 2.5 -8.1 10 7 L F T X >S+ 0 0 14 -3,-1.8 5,-3.0 29,-0.1 3,-1.0 0.535 129.5 22.6-126.4 -77.8 -11.1 5.7 -6.2 11 8 L E G > 5S+ 0 0 27 1,-0.3 3,-2.0 3,-0.2 -5,-0.1 0.942 124.0 52.9 -60.7 -48.4 -8.9 8.8 -6.9 12 9 L K G 3 S+ 0 0 30 2,-0.1 4,-0.7 1,-0.1 3,-0.3 0.337 87.0 97.2-122.5 7.7 -15.3 7.6 5.2 20 14CL E H >> S+ 0 0 7 -3,-0.5 4,-2.3 1,-0.2 3,-0.7 0.842 78.7 61.6 -71.1 -28.9 -12.7 9.8 3.5 21 14DL R H 3> S+ 0 0 159 -4,-0.4 4,-3.0 1,-0.3 -1,-0.2 0.893 98.1 60.0 -60.7 -36.1 -14.7 13.0 4.0 22 14EL E H 3> S+ 0 0 36 -3,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.820 107.9 44.6 -54.7 -38.5 -14.4 12.3 7.7 23 14FL L H << S+ 0 0 0 -4,-0.7 4,-0.5 -3,-0.7 141,-0.5 0.930 113.5 48.1 -71.4 -48.1 -10.7 12.5 7.3 24 14GL L H >< S+ 0 0 46 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.869 109.4 54.3 -66.7 -35.5 -10.6 15.6 5.1 25 14HL E H 3< S+ 0 0 125 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 100.4 59.4 -59.4 -39.5 -13.0 17.4 7.5 26 14IL S T 3< S+ 0 0 21 -4,-1.0 2,-1.5 -3,-0.3 -1,-0.2 0.624 81.6 89.3 -69.8 -10.2 -10.8 16.8 10.6 27 14JL Y < 0 0 22 -3,-0.9 -1,-0.2 -4,-0.5 136,-0.1 -0.301 360.0 360.0 -85.4 51.1 -8.0 18.7 8.8 28 14KL I 0 0 178 -2,-1.5 -2,-0.1 134,-0.1 135,-0.1 0.165 360.0 360.0-130.2 360.0 -9.3 22.0 10.3 29 !* 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 30 16 H I 0 0 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.9 -9.6 -3.4 14.6 31 17 H V B +A 222 0A 5 191,-2.5 191,-1.5 1,-0.2 143,-0.1 -0.771 360.0 3.4 -94.1 136.1 -12.1 -2.6 17.2 32 18 H E S S+ 0 0 127 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.727 100.1 128.7 57.0 29.1 -15.2 -0.5 16.2 33 19 H G - 0 0 26 -3,-0.4 2,-0.3 140,-0.1 153,-0.2 -0.146 49.9-128.0 -88.2-169.0 -14.2 -0.4 12.6 34 20 H S E -B 185 0B 54 151,-2.2 151,-2.4 -3,-0.1 2,-0.3 -0.872 34.1 -76.1-136.8 169.2 -16.1 -1.2 9.5 35 21 H D E -B 184 0B 99 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.559 49.5-123.9 -70.8 130.5 -15.7 -3.4 6.4 36 22 H A - 0 0 5 147,-3.2 2,-0.2 -2,-0.3 -1,-0.1 -0.378 21.6-119.5 -68.3 148.9 -13.4 -2.0 3.9 37 23 H E > - 0 0 39 1,-0.1 3,-1.7 -2,-0.1 4,-0.4 -0.500 43.8 -81.3 -79.0 160.1 -14.6 -1.4 0.4 38 24 H I T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 57,-0.0 -0.475 117.0 7.5 -69.1 132.7 -12.8 -3.2 -2.5 39 25 H G T 3 S+ 0 0 11 -2,-0.2 -30,-0.3 104,-0.1 -1,-0.3 0.521 93.5 123.2 72.9 8.2 -9.7 -1.4 -3.6 40 26 H M S < S+ 0 0 4 -3,-1.7 -2,-0.1 1,-0.3 -33,-0.1 0.830 85.8 21.2 -68.6 -37.0 -10.0 1.0 -0.5 41 27 H S S > S+ 0 0 13 -4,-0.4 3,-2.1 1,-0.1 -1,-0.3 -0.614 71.2 166.2-129.4 73.8 -6.6 0.1 0.8 42 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.8 0, 0.0 99,-0.1 0.585 75.4 64.0 -72.1 -6.0 -4.6 -1.4 -2.2 43 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.4 103,-0.1 104,-0.2 0.457 75.1 124.5 -88.7 -4.4 -1.4 -1.0 -0.2 44 30 H Q E < -K 60 0C 6 -3,-2.1 49,-1.0 16,-0.2 2,-0.4 -0.372 39.3-173.5 -66.7 129.9 -2.6 -3.6 2.4 45 31 H V E -KL 59 92C 0 14,-2.0 14,-1.4 47,-0.2 2,-0.5 -0.972 14.8-145.8-126.3 139.9 -0.2 -6.5 2.9 46 32 H M E -KL 58 91C 2 45,-2.7 45,-2.0 -2,-0.4 2,-0.6 -0.929 8.9-149.4-104.6 128.4 -0.7 -9.6 5.0 47 33 H L E -KL 57 90C 0 10,-2.8 9,-2.4 -2,-0.5 10,-1.4 -0.901 23.4-173.6-100.4 117.9 2.3 -11.2 6.7 48 34 H F E -KL 55 89C 9 41,-2.9 41,-2.1 -2,-0.6 2,-0.5 -0.865 28.1-134.5-112.6 144.1 1.9 -15.0 7.1 49 35 H R E > -KL 54 88C 87 5,-2.9 5,-1.8 -2,-0.3 39,-0.2 -0.844 21.9-147.4 -82.5 130.0 3.7 -17.8 8.8 50 36 H K T 5S+ 0 0 69 37,-2.5 3,-0.2 -2,-0.5 -1,-0.1 0.973 75.8 51.7 -63.1 -54.4 4.0 -20.7 6.2 51 36AH S T 5S+ 0 0 102 1,-0.4 -1,-0.2 36,-0.3 2,-0.1 -0.969 120.4 20.8-140.0 114.3 3.8 -23.7 8.5 52 37 H P T 5S- 0 0 92 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.601 108.8-122.1 -66.7 141.9 1.6 -23.8 10.5 53 38 H Q T 5 + 0 0 102 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.2 -0.399 49.5 159.3 -60.2 117.1 -0.2 -21.4 8.2 54 39 H E E < -K 49 0C 96 -5,-1.8 -5,-2.9 -2,-0.2 2,-0.8 -0.983 46.1-127.0-145.9 130.5 -1.0 -18.3 10.4 55 40 H L E +K 48 0C 27 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.722 35.2 174.1 -72.9 109.7 -1.8 -14.7 9.7 56 41 H L E - 0 0 19 -9,-2.4 2,-0.3 -2,-0.8 172,-0.2 0.902 49.6 -30.6 -83.5 -44.8 0.8 -13.0 11.9 57 42 H b E -K 47 0C 8 -10,-1.4 -10,-2.8 170,-0.1 -1,-0.3 -0.945 57.8 -96.0-164.4 166.7 0.5 -9.2 11.2 58 43 H G E +K 46 0C 7 170,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.392 36.5 173.0 -87.8 179.4 -0.4 -6.5 8.7 59 44 H A E -K 45 0C 0 -14,-1.4 -14,-2.0 10,-0.1 2,-0.4 -0.952 21.6-120.7-168.4 180.0 2.1 -4.7 6.5 60 45 H S E -KM 44 68C 0 8,-2.2 8,-2.9 -2,-0.3 2,-0.5 -1.000 15.5-123.8-143.3 147.0 2.1 -2.1 3.7 61 46 H L E + M 0 67C 0 -18,-2.4 86,-2.0 -2,-0.4 6,-0.2 -0.755 27.9 170.2 -88.1 122.6 3.4 -2.0 0.1 62 47 H I S S- 0 0 15 4,-2.8 2,-0.2 -2,-0.5 5,-0.2 0.556 71.1 -7.5-109.6 -15.1 5.7 1.0 -0.5 63 48 H S S S- 0 0 25 3,-1.2 -1,-0.1 85,-0.1 75,-0.1 -0.850 91.9 -77.0-151.2-164.3 7.0 -0.1 -4.0 64 49 H D S S+ 0 0 54 -2,-0.2 74,-2.4 1,-0.2 3,-0.0 0.729 131.4 21.1 -73.7 -16.7 6.7 -3.2 -6.2 65 50 H R S S+ 0 0 95 72,-0.2 69,-2.4 1,-0.0 2,-0.4 0.243 106.8 84.5-133.2 11.5 9.2 -5.0 -4.1 66 51 H W E - N 0 133C 18 67,-0.2 -4,-2.8 -3,-0.1 -3,-1.2 -0.973 47.8-176.6-126.4 129.1 9.3 -3.2 -0.6 67 52 H V E -MN 61 132C 0 65,-1.9 65,-2.7 -2,-0.4 2,-0.4 -0.964 11.8-150.5-124.9 138.3 7.0 -3.9 2.3 68 53 H L E +MN 60 131C 0 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.3 -0.867 26.5 150.5-108.6 139.4 6.9 -2.2 5.6 69 54 H T E - N 0 130C 0 61,-2.2 61,-2.4 -2,-0.4 2,-0.4 -0.901 50.7 -75.6-148.3 179.4 5.8 -3.9 8.9 70 55 H A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.3 4,-0.4 -0.698 36.2-133.9 -79.2 135.2 6.3 -3.7 12.7 71 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.2 3,-1.4 0.825 101.8 65.9 -57.6 -32.8 9.7 -5.3 13.8 72 57 H H G 34 S+ 0 0 7 1,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.593 89.2 66.8 -67.8 -13.5 8.0 -7.2 16.7 73 58 H b G <4 S+ 0 0 2 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.776 117.0 25.9 -69.3 -29.2 6.0 -9.2 14.1 74 59 H L T <4 S+ 0 0 0 -3,-1.4 9,-2.6 -4,-0.4 2,-0.4 0.766 133.2 29.2-102.1 -38.5 9.4 -10.7 13.1 75 60 H L E < +Q 82 0D 40 -4,-2.7 -1,-0.2 7,-0.2 7,-0.2 -0.920 57.2 136.7-139.1 106.7 11.5 -10.3 16.3 76 60AH Y E > > -Q 81 0D 1 5,-1.9 5,-2.1 -2,-0.4 3,-1.5 -0.683 24.8-171.0-146.4 90.7 10.2 -10.4 19.8 77 60BH P G > 5S+ 0 0 55 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.738 79.3 67.7 -55.5 -33.8 12.4 -12.5 22.1 78 60CH P G 3 5S+ 0 0 50 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.738 112.2 37.2 -54.6 -25.0 10.1 -12.4 25.3 79 60DH W G < 5S- 0 0 119 -3,-1.5 3,-0.1 2,-0.1 -3,-0.0 0.114 119.6-113.3-109.7 16.1 7.7 -14.5 23.2 80 60EH D T < 5 + 0 0 150 -3,-2.0 2,-0.4 1,-0.2 0, 0.0 0.574 63.0 158.9 59.3 16.0 10.6 -16.5 21.5 81 60FH K E < +Q 76 0D 48 -5,-2.1 -5,-1.9 1,-0.1 -1,-0.2 -0.525 8.1 141.2 -78.1 121.6 9.7 -14.8 18.2 82 60GH N E -Q 75 0D 117 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.450 24.8-175.3-159.8 78.3 12.4 -14.7 15.7 83 60HH F - 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