==== 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 BLOOD CLOTTING/HYDROLASE INHIBITOR 21-JUL-99 1C1U . 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) . 13495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 60.9 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 . 77 25.8 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 . 1 0.3 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 . 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 . 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 . 29 9.7 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 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 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 9 0, 0.0 5,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -51.2 19.3 12.7 19.3 2 1GL F B > -A 5 0A 114 3,-2.0 3,-2.2 1,-0.2 155,-0.7 -0.319 360.0 -2.9-123.9-154.1 20.5 13.4 22.9 3 1FL G B 3 S-b 157 0B 19 1,-0.3 -1,-0.2 -2,-0.1 156,-0.2 -0.086 130.9 -2.2 -46.4 125.6 19.1 14.2 26.3 4 1EL S T 3 S- 0 0 42 153,-1.1 2,-0.7 154,-0.1 -1,-0.3 0.695 121.8 -92.6 63.3 19.9 15.4 14.5 26.6 5 1DL G B < -A 2 0A 0 -3,-2.2 -3,-2.0 152,-0.5 -1,-0.1 -0.715 62.3 -43.3 101.4-114.3 15.5 13.9 22.9 6 1CL E S S- 0 0 56 -2,-0.7 -1,-0.2 -5,-0.2 150,-0.1 0.590 78.2 -85.5-137.1 -51.0 15.6 16.4 20.0 7 1BL A S S+ 0 0 70 -3,-0.2 149,-0.0 0, 0.0 -2,-0.0 -0.243 122.2 26.7 165.6 -55.8 13.2 19.5 20.5 8 1AL D S > S+ 0 0 64 147,-0.1 3,-1.3 2,-0.0 148,-0.1 0.172 93.9 138.4-113.3 13.8 9.8 18.5 19.2 9 1 L a T 3 + 0 0 0 1,-0.2 146,-0.2 -5,-0.1 147,-0.1 -0.074 60.3 21.8 -58.3 157.1 10.5 14.9 20.0 10 2 L G T 3 S+ 0 0 0 144,-2.0 240,-0.8 239,-0.2 2,-0.7 0.395 90.9 110.6 67.5 -4.2 7.8 12.7 21.5 11 3 L L < - 0 0 31 -3,-1.3 -1,-0.1 143,-0.2 238,-0.1 -0.907 63.4-142.6-106.6 104.8 4.9 14.8 20.4 12 4 L R > > - 0 0 0 -2,-0.7 5,-1.9 1,-0.1 3,-1.7 -0.525 7.3-137.4 -71.8 125.5 3.0 12.9 17.7 13 5 L P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.846 104.4 41.7 -40.5 -47.7 1.6 14.9 14.8 14 6 L L T 3 5S+ 0 0 35 136,-0.4 34,-0.1 33,-0.3 -2,-0.1 0.487 129.1 19.6 -88.0 -1.7 -1.7 13.0 14.9 15 7 L F T X>>S+ 0 0 13 -3,-1.7 5,-2.7 32,-0.1 3,-1.7 0.489 126.7 26.6-128.8 -84.7 -2.2 12.9 18.6 16 8 L E G >45S+ 0 0 27 1,-0.3 3,-1.6 3,-0.2 -5,-0.1 0.915 120.3 55.4 -51.0 -51.1 -0.4 15.3 21.1 17 9 L K G 34 - 0 0 6 -2,-0.3 3,-0.8 26,-0.1 4,-0.4 -0.611 37.5 -97.9 -97.9 164.9 -4.9 7.0 21.2 23 14AL K T 3 S+ 0 0 152 1,-0.2 4,-0.1 -2,-0.2 3,-0.1 0.680 112.9 30.6 -61.6 -21.9 -7.0 4.3 22.8 24 14BL T T >> S+ 0 0 29 2,-0.1 4,-0.9 1,-0.1 3,-0.6 0.383 84.8 95.6-118.6 7.8 -4.7 2.8 25.3 25 14CL E H X> S+ 0 0 3 -3,-0.8 4,-2.1 1,-0.2 3,-0.5 0.849 79.9 66.5 -65.3 -26.3 -2.4 5.6 26.5 26 14DL R H 3> S+ 0 0 152 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.909 94.1 59.0 -53.9 -44.7 -4.9 6.1 29.5 27 14EL E H <> S+ 0 0 35 -3,-0.6 4,-0.8 2,-0.2 -1,-0.2 0.878 107.6 46.4 -51.4 -43.2 -3.7 2.7 30.7 28 14FL L H XX S+ 0 0 0 -4,-0.9 3,-1.5 -3,-0.5 4,-0.6 0.984 113.7 44.5 -67.8 -59.1 -0.1 3.9 30.9 29 14GL L H ><>S+ 0 0 29 -4,-2.1 3,-0.9 1,-0.3 5,-0.5 0.832 109.6 58.3 -58.5 -30.8 -0.8 7.2 32.6 30 14HL E H 3X5S+ 0 0 76 -4,-2.7 4,-0.6 -5,-0.3 -1,-0.3 0.808 101.7 54.9 -71.6 -22.7 -3.1 5.5 35.0 31 14IL S H <<5S+ 0 0 21 -3,-1.5 2,-1.4 -4,-0.8 -1,-0.2 0.531 86.1 78.0 -86.2 -4.3 -0.3 3.2 36.1 32 14JL Y T <<5S- 0 0 9 -3,-0.9 -1,-0.2 -4,-0.6 139,-0.1 -0.534 136.4 -83.4 -98.1 63.8 1.9 6.1 37.0 33 14KL I T 45S- 0 0 147 -2,-1.4 -2,-0.2 -3,-0.0 -3,-0.1 0.749 95.6 -47.5 32.4 37.4 -0.3 6.2 40.1 34 14LL D << - 0 0 107 -4,-0.6 -4,-0.2 -5,-0.5 2,-0.2 0.623 68.9-121.3 77.1 133.7 -2.6 8.2 37.8 35 14ML G 0 0 9 -9,-0.2 211,-0.1 -6,-0.0 209,-0.0 -0.564 360.0 360.0 -98.3 166.2 -1.6 11.1 35.6 36 15 L R 0 0 279 209,-0.3 210,-0.1 -2,-0.2 0, 0.0 0.719 360.0 360.0 73.5 360.0 -2.7 14.7 35.5 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 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 134.4 4.1 -9.1 19.7 39 17 H V B +C 230 0C 11 191,-2.5 191,-1.3 1,-0.2 143,-0.1 -0.914 360.0 2.3-109.4 132.6 1.9 -11.7 21.4 40 18 H E S S+ 0 0 139 -2,-0.4 2,-0.2 141,-0.4 -1,-0.2 0.826 101.1 125.4 58.8 41.4 -1.5 -10.7 22.7 41 19 H G - 0 0 23 -3,-0.3 2,-0.3 153,-0.1 153,-0.3 -0.580 52.7-130.0-113.8 176.7 -1.1 -7.1 21.4 42 20 H S E -D 193 0D 63 151,-2.5 151,-2.1 -2,-0.2 2,-0.0 -0.796 34.1 -75.9-127.2 171.8 -3.5 -5.3 19.0 43 21 H D E -D 192 0D 97 -2,-0.3 149,-0.3 149,-0.2 148,-0.1 -0.382 51.3-122.3 -66.4 146.4 -3.1 -3.4 15.8 44 22 H A - 0 0 10 147,-2.9 2,-0.2 59,-0.1 -1,-0.1 -0.258 22.6-110.9 -82.2 174.7 -1.7 -0.0 16.2 45 23 H E > - 0 0 61 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.639 45.5 -85.3-100.5 162.3 -3.4 3.1 15.0 46 24 H I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.493 116.5 9.4 -69.7 137.2 -2.1 5.1 12.1 47 25 H G T 3 S+ 0 0 12 -2,-0.2 -33,-0.3 55,-0.1 -1,-0.3 0.625 90.0 124.8 67.6 16.7 0.6 7.5 13.4 48 26 H M S < S+ 0 0 7 -3,-1.7 -2,-0.1 1,-0.2 -36,-0.1 0.842 85.1 21.2 -73.2 -35.8 0.7 5.9 16.9 49 27 H S > + 0 0 11 -4,-0.3 3,-2.9 1,-0.1 -1,-0.2 -0.583 69.7 168.9-129.8 66.2 4.5 5.2 16.9 50 28 H P T 3 S+ 0 0 5 0, 0.0 103,-1.3 0, 0.0 51,-0.2 0.657 76.7 60.7 -62.6 -8.0 5.9 7.6 14.2 51 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.4 103,-0.1 104,-0.1 0.581 75.1 116.9 -95.7 -7.5 9.3 6.7 15.4 52 30 H Q E < -L 68 0E 5 -3,-2.9 49,-0.8 16,-0.2 50,-0.3 -0.432 44.9-170.3 -66.2 133.6 9.1 3.0 14.6 53 31 H V E -LM 67 100E 0 14,-2.6 14,-1.2 47,-0.1 2,-0.5 -0.859 15.1-142.2-120.7 155.2 11.6 1.8 12.0 54 32 H M E -LM 66 99E 0 45,-2.1 45,-2.6 -2,-0.3 2,-0.6 -0.978 9.2-146.0-119.9 129.9 11.9 -1.5 10.1 55 33 H L E -LM 65 98E 0 10,-2.6 9,-2.8 -2,-0.5 10,-0.8 -0.875 26.2-167.7 -96.0 127.1 15.3 -2.9 9.3 56 34 H F E -LM 63 97E 0 41,-3.1 41,-2.2 -2,-0.6 2,-0.3 -0.958 16.3-135.0-122.6 134.1 14.9 -4.6 6.0 57 35 H R E > -LM 62 96E 72 5,-3.1 5,-0.5 -2,-0.4 39,-0.2 -0.660 8.9-144.9 -86.5 140.1 17.3 -6.9 4.3 58 36 H K T 5S+ 0 0 40 37,-1.6 -1,-0.1 -2,-0.3 38,-0.1 0.968 81.1 44.6 -72.0 -53.4 18.0 -6.4 0.6 59 36AH S T 5S+ 0 0 101 1,-0.3 -1,-0.3 36,-0.3 2,-0.1 -0.961 122.7 23.6-141.9 123.7 18.4 -10.0 -0.5 60 37 H P T 5S- 0 0 71 0, 0.0 2,-1.4 0, 0.0 -1,-0.3 0.671 102.1-130.2 -60.3 154.6 16.5 -12.0 0.5 61 38 H Q T 5 + 0 0 60 -2,-0.1 232,-0.3 -3,-0.1 2,-0.3 -0.635 54.4 138.8 -80.0 94.7 14.0 -9.1 1.1 62 39 H E E < -L 57 0E 71 -2,-1.4 -5,-3.1 -5,-0.5 2,-0.2 -0.969 59.4 -99.5-141.2 158.6 12.9 -9.8 4.6 63 40 H L E +L 56 0E 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.545 37.1 175.9 -72.2 135.1 12.1 -8.0 7.9 64 41 H L E - 0 0 28 -9,-2.8 2,-0.3 1,-0.5 -1,-0.2 0.800 53.4 -36.4-107.6 -58.8 15.1 -8.2 10.1 65 42 H b E -L 55 0E 6 -10,-0.8 -10,-2.6 170,-0.1 -1,-0.5 -0.854 55.1-101.3-153.2-176.2 14.2 -6.2 13.3 66 43 H G E +L 54 0E 2 170,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.538 37.8 171.7-107.5 172.9 12.5 -3.1 14.5 67 44 H A E -L 53 0E 0 -14,-1.2 -14,-2.6 -2,-0.2 2,-0.3 -0.932 23.8-120.1-169.0 177.7 14.4 0.1 15.4 68 45 H S E -LN 52 76E 0 8,-2.1 8,-2.6 -2,-0.3 2,-0.5 -0.967 14.8-124.9-136.9 155.8 13.5 3.7 16.3 69 46 H L E + N 0 75E 0 -18,-1.4 86,-1.9 -2,-0.3 6,-0.2 -0.877 28.1 170.7 -99.5 122.2 14.2 7.2 14.8 70 47 H I S S- 0 0 0 4,-2.2 2,-0.2 -2,-0.5 5,-0.1 0.549 70.8 -2.9-109.4 -14.4 15.8 9.5 17.4 71 48 H S S S- 0 0 1 3,-1.0 -1,-0.1 -70,-0.1 84,-0.1 -0.823 90.9 -83.6-154.8-170.8 16.8 12.5 14.9 72 49 H D S S+ 0 0 46 -2,-0.2 74,-2.4 1,-0.2 72,-0.1 0.591 128.1 31.3 -84.9 -5.3 16.5 12.9 11.2 73 50 H R S S+ 0 0 88 72,-0.2 69,-2.5 1,-0.1 2,-0.4 0.449 106.9 73.4-126.0 -5.3 19.8 11.0 10.7 74 51 H W E - O 0 141E 0 67,-0.2 -4,-2.2 65,-0.0 -3,-1.0 -0.940 47.3-174.4-124.1 138.1 20.1 8.4 13.5 75 52 H V E -NO 69 140E 0 65,-2.4 65,-2.2 -2,-0.4 2,-0.4 -0.935 13.7-149.4-121.1 144.1 18.3 5.2 14.2 76 53 H L E +NO 68 139E 0 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.2 -0.932 28.4 150.3-114.5 135.3 18.7 3.1 17.3 77 54 H T E - O 0 138E 0 61,-2.4 61,-1.8 -2,-0.4 2,-0.4 -0.782 49.7 -76.1-145.9-168.8 18.3 -0.7 17.3 78 55 H A > - 0 0 0 -12,-0.4 3,-1.5 59,-0.2 4,-0.4 -0.812 33.0-134.0 -99.2 138.3 19.7 -3.8 19.2 79 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.3 3,-1.8 0.853 101.9 65.2 -62.3 -34.4 23.2 -4.9 18.4 80 57 H H G 34 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.611 89.9 67.7 -68.3 -2.8 22.2 -8.6 18.1 81 58 H b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.737 116.5 25.4 -80.4 -25.4 20.1 -7.7 15.1 82 59 H L T <4 S+ 0 0 1 -3,-1.8 9,-2.9 -4,-0.4 2,-0.4 0.796 129.1 33.0-106.7 -37.4 23.3 -6.9 13.3 83 60 H L E < +R 90 0F 38 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.961 54.6 139.3-130.3 115.1 26.0 -9.0 15.0 84 60AH Y E > > -R 89 0F 54 5,-2.9 3,-1.9 -2,-0.4 5,-1.7 -0.631 23.0-172.5-154.3 83.6 25.5 -12.4 16.5 85 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.764 77.8 72.8 -52.4 -36.6 28.5 -14.7 15.7 86 60CH P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.778 112.7 31.5 -48.5 -27.4 26.9 -17.9 17.1 87 60DH W G < 5S- 0 0 181 -3,-1.9 3,-0.1 2,-0.1 -3,-0.0 0.051 118.4-110.2-119.6 22.7 24.6 -17.8 14.0 88 60EH D T < 5 + 0 0 153 -3,-2.2 2,-0.5 1,-0.2 -5,-0.0 0.883 64.5 155.0 50.1 45.7 27.2 -16.2 11.7 89 60FH K E < +R 84 0F 47 -5,-1.7 -5,-2.9 2,-0.0 -1,-0.2 -0.920 5.6 142.0-106.5 122.3 25.3 -12.9 11.6 90 60GH N E -R 83 0F 116 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.641 28.4-169.5-157.8 85.3 27.4 -9.8 10.9 91 60HH F - 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