==== 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 14-NOV-95 1BMM . COMPND 2 MOLECULE: ALPHA-THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MALLEY,J.SACK . 295 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.0 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 . 74 25.1 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 . 40 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.2 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 1 1 0 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 . 3 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 1DL G > 0 0 29 0, 0.0 3,-0.8 0, 0.0 62,-0.1 0.000 360.0 360.0 360.0-107.5 37.6 43.8 2.0 2 1CL E T 3 + 0 0 171 1,-0.2 2,-1.1 2,-0.2 146,-0.0 0.008 360.0 40.4 -59.0 172.6 37.0 47.1 0.2 3 1BL A T 3 S+ 0 0 80 1,-0.2 -1,-0.2 2,-0.0 145,-0.0 -0.075 124.0 40.4 76.5 -39.7 37.6 47.4 -3.6 4 1AL D S X S+ 0 0 70 -2,-1.1 3,-0.9 -3,-0.8 -1,-0.2 0.132 90.0 124.7-122.0 14.8 36.2 43.9 -4.3 5 1 L a T 3 + 0 0 11 1,-0.2 142,-0.2 142,-0.1 -3,-0.1 -0.270 60.0 34.3 -71.8 161.6 33.3 44.2 -1.9 6 2 L G T 3 S+ 0 0 0 140,-1.7 242,-0.8 241,-0.2 2,-0.6 0.417 87.0 113.0 75.4 -2.0 29.7 43.7 -3.0 7 3 L L < - 0 0 28 -3,-0.9 -1,-0.1 139,-0.3 240,-0.1 -0.894 56.5-149.4-109.3 106.7 30.5 41.0 -5.6 8 4 L R > > - 0 0 0 -2,-0.6 5,-2.1 1,-0.1 3,-1.9 -0.594 9.3-141.4 -79.2 125.2 29.2 37.6 -4.7 9 5 L P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.776 101.9 45.7 -51.9 -36.6 31.4 34.6 -6.1 10 6 L L T 3 5S+ 0 0 33 29,-0.4 30,-0.1 132,-0.3 -2,-0.1 0.403 130.3 14.5 -93.5 6.9 28.3 32.5 -7.0 11 7 L F T X >S+ 0 0 10 -3,-1.9 5,-2.9 28,-0.1 3,-1.2 0.474 124.8 35.7-139.1 -79.1 26.4 35.4 -8.7 12 8 L E G > 5S+ 0 0 20 -4,-0.3 3,-0.6 1,-0.3 234,-0.1 0.841 122.6 49.5 -57.0 -33.8 27.9 38.7 -9.7 13 9 L K G 3 - 0 0 4 -2,-0.3 3,-2.6 22,-0.1 4,-0.4 -0.801 40.1-100.8-100.7 137.0 19.3 35.0 -7.2 19 14AL K T 3 S+ 0 0 102 -2,-0.4 4,-0.1 1,-0.3 -1,-0.1 0.571 117.5 28.4 -25.7 -33.3 15.6 34.2 -7.3 20 14BL T T >> S+ 0 0 29 1,-0.1 4,-1.0 2,-0.1 3,-0.7 0.383 87.2 106.2-120.0 4.9 14.4 37.6 -6.0 21 14CL E H X> S+ 0 0 10 -3,-2.6 4,-1.7 1,-0.2 3,-0.5 0.838 75.7 54.0 -54.2 -46.2 17.1 40.0 -7.2 22 14DL R H 3> S+ 0 0 168 -4,-0.4 4,-3.4 1,-0.2 -1,-0.2 0.819 97.8 66.1 -64.6 -27.5 15.2 41.7 -10.1 23 14EL E H <> S+ 0 0 63 -3,-0.7 4,-0.6 2,-0.2 -1,-0.2 0.927 104.7 45.9 -56.3 -45.2 12.5 42.6 -7.6 24 14FL L H XX S+ 0 0 0 -4,-1.0 3,-2.5 -3,-0.5 4,-0.7 0.998 114.8 45.9 -56.7 -67.1 15.0 44.8 -6.0 25 14GL L H >< S+ 0 0 48 -4,-1.7 3,-1.5 1,-0.3 -2,-0.2 0.844 111.0 51.4 -44.1 -52.2 16.3 46.3 -9.2 26 14HL E H 3< S+ 0 0 155 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.582 97.9 66.6 -67.7 -11.4 12.9 47.0 -10.7 27 14IL S H << 0 0 22 -3,-2.5 -1,-0.3 -4,-0.6 -2,-0.2 0.718 360.0 360.0 -78.1 -22.6 11.7 48.9 -7.5 28 14JL Y << 0 0 61 -3,-1.5 -2,-0.1 -4,-0.7 -3,-0.1 0.882 360.0 360.0 -71.5 360.0 14.3 51.6 -8.4 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 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.9 12.5 36.9 9.3 31 17 H V B -A 228 0A 7 197,-2.3 197,-2.0 1,-0.2 143,-0.1 -0.841 360.0 -2.2 -97.7 135.8 8.7 36.8 9.0 32 18 H E S S+ 0 0 135 141,-0.6 -1,-0.2 -2,-0.4 194,-0.1 0.824 103.5 119.8 55.4 39.4 7.1 35.9 5.6 33 19 H G - 0 0 29 -3,-0.5 2,-0.3 140,-0.1 159,-0.2 -0.171 54.2-122.6-107.9-157.8 10.4 35.5 3.9 34 20 H S E -B 191 0B 45 157,-2.2 157,-2.1 -2,-0.1 2,-0.1 -0.901 34.0 -70.1-144.6 173.7 12.0 32.5 2.1 35 21 H D E -B 190 0B 86 -2,-0.3 155,-0.2 155,-0.2 2,-0.1 -0.390 50.6-121.1 -67.8 144.2 15.1 30.3 2.2 36 22 H A - 0 0 6 153,-3.0 2,-0.2 59,-0.1 -1,-0.1 -0.494 24.8-113.9 -84.3 155.0 18.4 31.9 1.1 37 23 H E > - 0 0 62 -2,-0.1 3,-2.4 1,-0.1 4,-0.4 -0.575 43.7 -84.7 -87.6 152.6 20.3 30.5 -1.8 38 24 H I T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.348 116.2 2.0 -59.2 126.7 23.7 29.0 -1.2 39 25 H G T 3 S+ 0 0 11 54,-0.2 -29,-0.4 2,-0.1 -1,-0.3 0.594 94.3 123.5 71.1 12.9 26.2 31.9 -1.2 40 26 H M S < S+ 0 0 0 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.781 82.5 29.4 -73.1 -33.0 23.5 34.5 -1.7 41 27 H S > + 0 0 13 -4,-0.4 3,-1.6 1,-0.1 -1,-0.3 -0.577 68.7 165.2-128.6 69.5 24.5 36.5 1.4 42 28 H P T 3 S+ 0 0 3 0, 0.0 103,-3.1 0, 0.0 99,-0.1 0.394 75.8 57.0 -67.1 2.2 28.3 35.9 1.8 43 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.481 75.7 115.9-109.7 -9.3 28.6 38.8 4.3 44 30 H Q E < -J 60 0C 8 -3,-1.6 49,-0.6 16,-0.2 2,-0.3 -0.412 47.5-170.5 -64.0 128.8 26.0 37.4 6.8 45 31 H V E -JK 59 92C 0 14,-1.7 14,-1.3 23,-0.1 2,-0.4 -0.856 13.6-137.0-123.0 155.9 27.8 36.7 10.0 46 32 H M E -JK 58 91C 0 45,-0.7 45,-1.9 -2,-0.3 2,-0.7 -0.971 1.9-149.5-120.7 127.2 26.6 34.9 13.2 47 33 H L E -JK 57 90C 0 10,-2.4 9,-4.0 -2,-0.4 10,-0.9 -0.868 26.3-176.2 -91.2 113.6 27.1 36.0 16.8 48 34 H F E -JK 55 89C 0 41,-3.0 41,-2.4 -2,-0.7 2,-0.3 -0.962 18.4-139.1-122.2 117.8 27.2 32.7 18.7 49 35 H R E > -JK 54 88C 60 5,-3.0 5,-1.5 -2,-0.5 39,-0.2 -0.530 4.3-147.7 -73.5 137.4 27.5 32.6 22.4 50 36 H K T 5S+ 0 0 74 37,-1.3 -1,-0.1 -2,-0.3 38,-0.1 0.979 78.4 53.6 -69.4 -58.6 29.8 29.9 23.9 51 36AH S T 5S+ 0 0 98 36,-0.4 -1,-0.3 1,-0.1 2,-0.2 -0.964 122.1 18.8-131.5 114.4 28.0 29.2 27.1 52 37 H P T 5S- 0 0 77 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.706 106.2-124.7 -70.0 165.5 25.2 28.5 26.8 53 38 H Q T 5 + 0 0 82 -2,-0.2 2,-0.3 237,-0.1 237,-0.3 -0.749 57.4 131.3 -80.2 113.5 25.8 27.7 23.1 54 39 H E E < -J 49 0C 77 -5,-1.5 -5,-3.0 -2,-0.7 2,-0.3 -0.990 62.9 -94.3-164.2 154.7 23.3 29.9 21.2 55 40 H L E +J 48 0C 30 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.560 35.9 179.2 -69.7 128.6 22.7 32.3 18.4 56 41 H L E - 0 0 21 -9,-4.0 2,-0.3 1,-0.4 -8,-0.2 0.843 53.6 -47.7 -99.6 -43.3 22.9 35.8 19.7 57 42 H b E -J 47 0C 5 -10,-0.9 -10,-2.4 176,-0.1 -1,-0.4 -0.932 57.1 -88.5-172.2-174.5 22.3 38.0 16.7 58 43 H G E +J 46 0C 2 176,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.507 39.4 169.9-106.4 175.4 23.3 38.5 13.1 59 44 H A E -J 45 0C 0 -14,-1.3 -14,-1.7 -2,-0.2 2,-0.3 -0.889 22.6-117.2-166.0-169.9 26.2 40.6 11.7 60 45 H S E -JL 44 68C 0 8,-0.9 8,-2.4 -2,-0.3 2,-0.4 -0.956 18.0-119.1-157.0 133.9 28.1 41.4 8.5 61 46 H L E + L 0 67C 0 -18,-2.2 86,-2.1 -2,-0.3 6,-0.2 -0.549 32.4 170.1 -65.6 123.0 31.6 41.0 7.1 62 47 H I S S- 0 0 18 4,-2.5 2,-0.2 -2,-0.4 -1,-0.2 0.603 70.9 -17.9-111.2 -10.8 32.7 44.5 6.3 63 48 H S S S- 0 0 26 3,-1.1 -1,-0.1 -62,-0.1 84,-0.1 -0.741 88.2 -75.0-168.1-163.0 36.3 43.5 5.6 64 49 H D S S+ 0 0 62 -2,-0.2 74,-2.6 1,-0.1 3,-0.1 0.580 130.0 22.3 -92.0 -6.3 38.5 40.5 6.3 65 50 H R S S+ 0 0 68 72,-0.2 69,-2.2 1,-0.1 2,-0.4 0.359 110.6 73.6-140.2 5.7 38.9 41.5 10.0 66 51 H W E - M 0 133C 4 67,-0.2 -4,-2.5 65,-0.0 -3,-1.1 -0.985 51.7-170.1-130.4 132.2 36.0 43.8 10.9 67 52 H V E -LM 61 132C 0 65,-2.5 65,-2.4 -2,-0.4 2,-0.5 -0.925 14.3-142.3-119.8 140.3 32.3 42.8 11.5 68 53 H L E +LM 60 131C 0 -8,-2.4 -8,-0.9 -2,-0.4 2,-0.2 -0.910 33.1 152.2-108.4 127.3 29.3 45.3 11.8 69 54 H T E - M 0 130C 0 61,-2.7 61,-2.2 -2,-0.5 2,-0.5 -0.760 47.1 -80.6-139.0-177.7 26.6 44.5 14.3 70 55 H A >> - 0 0 0 -12,-0.4 3,-2.9 -2,-0.2 4,-0.6 -0.839 30.0-130.6 -99.4 130.9 24.1 46.3 16.5 71 56 H A H >> S+ 0 0 0 -2,-0.5 4,-2.7 1,-0.3 3,-1.3 0.805 105.0 62.5 -42.0 -43.2 25.2 47.8 19.8 72 57 H H H 34 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.434 89.9 65.8 -67.6 -7.0 22.2 46.1 21.6 73 58 H b H <4 S+ 0 0 0 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.804 118.5 26.1 -79.8 -29.4 23.5 42.6 20.8 74 59 H L H << S+ 0 0 6 -3,-1.3 9,-1.8 -4,-0.6 2,-0.4 0.758 128.1 38.9-100.2 -37.3 26.4 43.4 23.0 75 60 H L E < +P 82 0D 38 -4,-2.7 7,-0.2 7,-0.2 -1,-0.2 -0.768 58.1 131.2-130.7 100.3 25.1 46.1 25.4 76 60AH Y E > > -P 81 0D 54 5,-0.7 5,-2.5 -2,-0.4 3,-1.2 -0.752 23.2-175.2-148.9 92.4 21.7 46.2 26.9 77 60BH P G > 5S+ 0 0 50 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.858 80.3 65.3 -51.7 -47.2 21.3 46.7 30.8 78 60CH P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.734 114.0 34.9 -53.9 -22.1 17.5 46.3 31.1 79 60DH W G < 5S- 0 0 175 -3,-1.2 -3,-0.0 2,-0.1 0, 0.0 0.256 120.5-110.2-111.7 4.7 18.0 42.6 30.0 80 60EH D T < 5 + 0 0 154 -3,-2.5 2,-0.4 1,-0.2 -5,-0.0 0.792 64.7 150.0 69.6 36.2 21.4 42.3 31.8 81 60FH K E < +P 76 0D 39 -5,-2.5 -5,-0.7 -9,-0.1 -1,-0.2 -0.797 11.1 137.4-103.4 138.4 23.6 42.1 28.8 82 60GH N E -P 75 0D 121 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.1 -0.340 33.6-170.5-173.0 70.1 27.3 43.4 28.6 83 60HH F - 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