==== 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 21-JUL-99 1C1V . COMPND 2 MOLECULE: ALPHA THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.KATZ,C.LUONG . 299 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 25.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 2 0.7 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 . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 10.0 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 0 2 0 0 0 1 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 . 5 4 1 3 4 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 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 7 0, 0.0 5,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -56.5 19.4 12.7 19.4 2 1GL F B > -A 5 0A 118 3,-2.4 3,-2.2 1,-0.4 155,-0.6 -0.308 360.0 -4.4-123.9-153.7 20.7 13.6 22.9 3 1FL G B 3 S+b 157 0B 16 1,-0.3 -1,-0.4 -2,-0.1 156,-0.1 0.012 132.9 1.1 -41.7 139.9 19.2 14.4 26.3 4 1EL S T 3 S- 0 0 55 153,-0.6 2,-0.6 152,-0.1 3,-0.4 0.646 123.9 -87.8 49.7 16.6 15.5 14.8 26.5 5 1DL G B < -A 2 0A 0 -3,-2.2 -3,-2.4 152,-0.8 151,-0.1 -0.797 67.8 -44.5 104.9-119.1 15.6 13.9 22.7 6 1CL E S S- 0 0 44 -2,-0.6 2,-0.3 -5,-0.2 -1,-0.2 0.533 78.4 -96.6-134.6 -22.8 16.0 16.2 19.8 7 1BL A S S+ 0 0 73 -3,-0.4 2,-1.2 -6,-0.0 149,-0.0 -0.740 120.8 40.8 132.8 -72.9 13.7 19.2 20.6 8 1AL D S S+ 0 0 54 -2,-0.3 2,-0.3 2,-0.1 -3,-0.1 -0.576 92.8 121.0-100.4 67.4 10.6 18.3 18.6 9 1 L a + 0 0 0 -2,-1.2 146,-0.3 -5,-0.2 2,-0.1 -0.749 61.1 27.5-120.5 167.5 10.9 14.7 19.6 10 2 L G S S+ 0 0 0 144,-1.2 240,-1.2 -2,-0.3 2,-0.5 0.254 90.0 101.9 64.8 -9.3 8.2 12.8 21.5 11 3 L L - 0 0 34 143,-0.2 238,-0.1 238,-0.2 -1,-0.1 -0.959 64.7-141.6-109.9 126.2 5.1 14.7 20.3 12 4 L R > > - 0 0 0 -2,-0.5 3,-2.5 1,-0.1 5,-1.4 -0.792 8.8-136.7 -91.5 120.3 3.1 12.9 17.5 13 5 L P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.757 104.5 45.2 -40.4 -38.5 1.6 15.0 14.7 14 6 L L T 3 5S+ 0 0 36 136,-0.5 34,-0.1 33,-0.3 32,-0.1 0.425 127.8 17.7 -93.4 2.5 -1.6 13.0 14.9 15 7 L F T X>>S+ 0 0 14 -3,-2.5 3,-2.7 32,-0.1 5,-1.9 0.362 127.5 27.9-131.3 -92.2 -2.1 12.9 18.7 16 8 L E G >45S+ 0 0 30 1,-0.3 3,-0.5 2,-0.2 -5,-0.1 0.863 121.9 53.7 -42.5 -51.3 -0.3 15.4 21.1 17 9 L K G 34> - 0 0 4 -2,-0.3 3,-1.1 1,-0.1 4,-0.5 -0.646 38.2 -99.1 -90.2 156.7 -4.5 7.0 21.2 23 14AL K T 34 S+ 0 0 153 1,-0.2 4,-0.1 -2,-0.2 -1,-0.1 0.568 113.1 34.2 -53.5 -16.4 -6.7 4.2 22.8 24 14BL T T >> S+ 0 0 25 2,-0.1 4,-0.8 1,-0.1 3,-0.7 0.489 85.7 91.4-120.2 0.3 -4.2 2.7 25.3 25 14CL E H X> S+ 0 0 2 -3,-1.1 4,-1.8 1,-0.2 3,-1.2 0.894 79.4 67.7 -62.1 -36.5 -2.1 5.6 26.5 26 14DL R H 3X S+ 0 0 158 -4,-0.5 4,-2.8 1,-0.3 -1,-0.2 0.887 94.5 60.0 -41.8 -47.5 -4.5 6.1 29.4 27 14EL E H <> S+ 0 0 38 -3,-0.7 4,-1.5 2,-0.2 -1,-0.3 0.861 106.5 44.4 -50.7 -44.4 -3.3 2.8 30.6 28 14FL L H XX S+ 0 0 0 -3,-1.2 4,-1.1 -4,-0.8 3,-0.7 0.989 112.6 48.5 -68.2 -61.2 0.3 4.0 31.0 29 14GL L H ><>S+ 0 0 27 -4,-1.8 5,-0.8 1,-0.3 3,-0.8 0.879 110.6 53.8 -48.8 -39.5 -0.4 7.3 32.6 30 14HL E H 3X5S+ 0 0 65 -4,-2.8 4,-1.1 -5,-0.3 -1,-0.3 0.918 100.2 60.4 -67.3 -36.5 -2.7 5.5 35.0 31 14IL S H <<5S+ 0 0 24 -4,-1.5 2,-2.0 -3,-0.7 -1,-0.2 0.749 87.4 73.3 -64.0 -19.4 0.1 3.1 36.0 32 14JL Y T <<5S- 0 0 11 -4,-1.1 -1,-0.3 -3,-0.8 139,-0.1 -0.400 135.8 -86.5 -90.6 61.5 2.3 6.0 37.2 33 14KL I T 45S- 0 0 148 -2,-2.0 -2,-0.2 137,-0.1 -3,-0.2 0.678 90.1 -52.2 39.9 29.5 -0.2 6.1 40.1 34 14LL D << - 0 0 113 -4,-1.1 2,-0.3 -5,-0.8 -4,-0.2 0.541 60.0-149.3 83.1 135.3 -2.3 8.3 37.8 35 14ML G 0 0 30 211,-0.0 211,-0.1 0, 0.0 -2,-0.0 -0.921 360.0 360.0-129.3 156.2 -1.4 11.5 36.0 36 15 L R 0 0 266 -2,-0.3 0, 0.0 209,-0.2 0, 0.0 -0.936 360.0 360.0-136.2 360.0 -3.5 14.6 35.1 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 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.7 4.2 -9.2 19.6 39 17 H V B 3 -C 230 0C 11 191,-2.2 191,-1.5 1,-0.2 143,-0.1 -0.824 360.0 -2.6 -97.2 136.8 2.3 -11.9 21.5 40 18 H E T 3 S+ 0 0 138 141,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.837 102.8 125.4 50.3 45.7 -1.1 -10.9 22.7 41 19 H G < - 0 0 19 -3,-0.5 153,-0.2 153,-0.1 2,-0.2 -0.820 52.7-127.1-122.1 161.9 -0.7 -7.3 21.5 42 20 H S E -D 193 0D 64 151,-0.6 151,-2.2 -2,-0.3 -3,-0.0 -0.639 31.0 -80.3-112.3 170.1 -3.1 -5.4 19.1 43 21 H D E -D 192 0D 96 149,-0.2 149,-0.2 -2,-0.2 -1,-0.1 -0.321 48.5-127.7 -64.6 151.8 -2.8 -3.6 15.9 44 22 H A - 0 0 11 147,-2.5 2,-0.2 59,-0.1 -1,-0.1 -0.191 18.6-111.7 -89.3-176.1 -1.5 -0.1 16.2 45 23 H E > - 0 0 64 -2,-0.1 3,-1.3 147,-0.0 4,-0.4 -0.639 39.9 -84.3-112.2 172.0 -3.1 3.1 14.8 46 24 H I T 3 S+ 0 0 88 1,-0.3 57,-0.1 -2,-0.2 -1,-0.0 -0.646 117.3 10.2 -81.2 131.6 -1.9 5.3 12.1 47 25 H G T 3 S+ 0 0 10 -2,-0.4 -33,-0.3 104,-0.1 -1,-0.3 0.499 94.2 119.6 77.9 6.7 0.6 7.8 13.6 48 26 H M S < S+ 0 0 4 -3,-1.3 -2,-0.1 1,-0.2 3,-0.1 0.911 85.4 18.7 -68.0 -43.5 0.8 5.9 16.9 49 27 H S > + 0 0 12 -4,-0.4 3,-2.3 1,-0.1 -1,-0.2 -0.513 69.4 166.7-125.4 63.2 4.5 5.1 16.8 50 28 H P T 3 S+ 0 0 4 0, 0.0 103,-0.9 0, 0.0 51,-0.2 0.678 77.3 56.4 -56.6 -17.2 6.1 7.5 14.2 51 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.2 103,-0.1 104,-0.1 0.645 76.5 114.7 -89.4 -16.9 9.5 6.6 15.4 52 30 H Q E < -L 68 0E 6 -3,-2.3 49,-0.7 16,-0.2 50,-0.3 -0.378 48.3-168.6 -56.8 128.9 9.2 2.9 14.8 53 31 H V E -LM 67 100E 0 14,-2.9 14,-1.4 47,-0.1 2,-0.4 -0.751 14.5-143.7-117.4 162.9 11.7 1.9 12.0 54 32 H M E -LM 66 99E 0 45,-1.9 45,-2.8 -2,-0.3 2,-0.5 -0.980 9.7-146.7-124.8 136.9 11.9 -1.4 10.1 55 33 H L E -LM 65 98E 0 10,-2.2 9,-2.2 -2,-0.4 10,-1.0 -0.956 23.5-165.7-107.9 123.6 15.4 -2.8 9.1 56 34 H F E -LM 63 97E 0 41,-3.3 41,-1.9 -2,-0.5 2,-0.4 -0.822 15.6-135.7-111.7 149.3 15.1 -4.6 5.8 57 35 H R E - M 0 96E 74 5,-1.8 5,-0.5 -2,-0.3 39,-0.2 -0.858 10.6-143.1-103.5 138.1 17.5 -7.0 4.1 58 36 H K S S+ 0 0 44 37,-1.7 -1,-0.2 -2,-0.4 38,-0.1 0.990 82.0 47.2 -67.3 -57.4 18.1 -6.4 0.4 59 36AH S S S+ 0 0 101 36,-0.2 -1,-0.3 1,-0.2 2,-0.2 -0.997 122.0 21.0-133.9 133.3 18.4 -10.1 -0.6 60 37 H P S S- 0 0 78 0, 0.0 2,-1.4 0, 0.0 -1,-0.2 0.792 99.8-131.5 -51.6 156.0 16.3 -12.0 0.4 61 38 H Q + 0 0 66 -2,-0.2 232,-0.4 -5,-0.1 2,-0.3 -0.698 54.0 143.5 -85.1 97.7 14.0 -9.1 1.0 62 39 H E - 0 0 67 -2,-1.4 -5,-1.8 -5,-0.5 2,-0.2 -0.971 58.5-100.8-137.1 153.8 13.0 -10.0 4.5 63 40 H L E +L 56 0E 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.563 40.3 174.2 -71.9 138.5 12.1 -8.1 7.7 64 41 H L E - 0 0 28 -9,-2.2 2,-0.2 1,-0.4 170,-0.2 0.781 52.1 -33.6-111.4 -55.3 15.2 -8.4 10.0 65 42 H b E -L 55 0E 6 -10,-1.0 -10,-2.2 170,-0.1 -1,-0.4 -0.868 55.7-107.5-155.6-174.7 14.6 -6.3 13.1 66 43 H G E +L 54 0E 2 170,-2.5 12,-0.4 -2,-0.2 2,-0.3 -0.745 33.5 169.7-120.0 169.6 13.0 -3.1 14.3 67 44 H A E -L 53 0E 0 -14,-1.4 -14,-2.9 -2,-0.3 2,-0.3 -0.904 24.3-118.4-163.8-176.0 14.6 0.2 15.4 68 45 H S E -LN 52 76E 0 8,-1.5 8,-2.5 -2,-0.3 2,-0.4 -0.967 18.0-122.3-139.4 158.1 13.7 3.8 16.2 69 46 H L E + N 0 75E 0 -18,-1.2 86,-1.8 -2,-0.3 6,-0.2 -0.833 28.6 171.3 -96.7 128.8 14.5 7.2 14.7 70 47 H I S S- 0 0 0 4,-2.5 2,-0.3 -2,-0.4 5,-0.1 0.659 71.3 -1.2-114.0 -23.5 16.2 9.6 17.3 71 48 H S S S- 0 0 1 3,-1.0 -1,-0.4 -70,-0.1 75,-0.1 -0.846 93.5 -84.7-148.5 179.1 17.2 12.5 15.0 72 49 H D S S+ 0 0 45 -2,-0.3 74,-2.1 1,-0.2 3,-0.1 0.675 127.5 32.1 -70.1 -11.1 16.7 12.9 11.2 73 50 H R S S+ 0 0 91 72,-0.2 69,-2.2 1,-0.1 2,-0.5 0.609 104.9 73.6-119.4 -13.3 20.0 10.9 10.6 74 51 H W E - O 0 141E 0 67,-0.2 -4,-2.5 65,-0.0 -3,-1.0 -0.885 49.1-173.7-111.5 132.5 20.4 8.4 13.4 75 52 H V E -NO 69 140E 0 65,-2.5 65,-2.4 -2,-0.5 2,-0.4 -0.872 14.9-148.7-112.8 149.6 18.4 5.1 13.9 76 53 H L E +NO 68 139E 0 -8,-2.5 -8,-1.5 -2,-0.3 2,-0.2 -0.973 26.5 153.8-121.3 130.9 18.9 3.1 17.1 77 54 H T E - O 0 138E 0 61,-2.0 61,-1.6 -2,-0.4 2,-0.5 -0.720 49.5 -79.4-140.5-168.7 18.6 -0.8 17.2 78 55 H A > - 0 0 0 -12,-0.4 3,-2.0 -2,-0.2 4,-0.5 -0.856 37.4-133.2-100.0 130.6 19.9 -3.8 19.2 79 56 H A G >> S+ 0 0 0 -2,-0.5 4,-2.6 1,-0.3 3,-1.6 0.808 100.8 64.9 -54.7 -34.2 23.4 -4.8 18.2 80 57 H H G 34 S+ 0 0 27 1,-0.3 -1,-0.3 2,-0.2 56,-0.0 0.641 87.8 69.2 -71.4 -4.2 22.6 -8.5 18.0 81 58 H b G <4 S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.797 115.1 27.9 -75.0 -26.1 20.3 -7.7 15.1 82 59 H L T <4 S+ 0 0 2 -3,-1.6 9,-2.8 -4,-0.5 2,-0.4 0.772 128.7 31.7-103.7 -33.2 23.4 -7.0 13.2 83 60 H L E < +R 90 0F 44 -4,-2.6 -1,-0.3 7,-0.2 7,-0.3 -0.959 54.1 144.5-133.1 118.0 26.2 -9.0 14.7 84 60AH Y E > > -R 89 0F 52 5,-2.6 3,-1.9 -2,-0.4 5,-1.8 -0.574 19.4-173.8-150.2 83.1 25.8 -12.4 16.3 85 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.797 78.6 70.6 -48.3 -42.5 28.8 -14.8 15.7 86 60CH P G 3 5S+ 0 0 62 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.847 115.3 28.3 -46.0 -34.2 27.3 -17.9 17.3 87 60DH W G < 5S- 0 0 183 -3,-1.9 -3,-0.0 2,-0.1 0, 0.0 0.041 117.7-110.1-116.3 24.4 25.0 -17.9 14.2 88 60EH D T < 5 + 0 0 148 -3,-2.6 2,-0.5 1,-0.2 -5,-0.0 0.865 62.5 156.2 52.8 42.9 27.4 -16.2 11.9 89 60FH K E < +R 84 0F 51 -5,-1.8 -5,-2.6 2,-0.0 -1,-0.2 -0.874 3.6 144.6-101.5 134.0 25.4 -13.0 11.6 90 60GH N E -R 83 0F 110 -2,-0.5 -7,-0.2 -7,-0.3 2,-0.2 -0.555 22.4-175.4-165.5 85.1 27.5 -9.9 10.7 91 60HH F - 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