==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUN-06 2H9T . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.T.R.LIMA,I.POLIKARPOV,R.Q.MONTEIRO . 281 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 60.5 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 . 77 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 0 1 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 . 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 . 6 3 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 . 0 0 0 0 0 1 0 0 1 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 0 132 0, 0.0 146,-0.1 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 49.1 1.8 26.8 4.9 2 1BL A + 0 0 85 146,-0.0 146,-0.0 0, 0.0 0, 0.0 -0.144 360.0 49.2 179.8 -17.2 4.2 29.6 3.8 3 1AL D S > S+ 0 0 69 144,-0.1 3,-1.3 3,-0.0 145,-0.1 0.193 91.2 143.4-109.0 5.3 2.3 31.6 6.3 4 1 L a T 3 + 0 0 20 1,-0.2 143,-0.3 143,-0.1 144,-0.1 0.034 59.9 13.8 -57.1 151.8 2.7 28.8 8.9 5 2 L G T 3 S+ 0 0 0 141,-2.6 235,-1.1 234,-0.2 2,-0.7 0.540 92.5 115.0 60.6 6.6 3.1 29.5 12.6 6 3 L L < - 0 0 24 -3,-1.3 -1,-0.2 140,-0.4 233,-0.1 -0.923 62.4-142.9-102.5 109.3 2.1 33.2 12.3 7 4 L R > > - 0 0 0 -2,-0.7 3,-2.1 1,-0.1 5,-2.0 -0.583 6.8-141.3 -80.1 124.0 -1.1 33.5 14.2 8 5 L P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.807 104.1 43.8 -48.2 -34.6 -3.8 35.9 12.7 9 6 L L T 3 5S+ 0 0 27 133,-0.4 31,-0.1 30,-0.4 133,-0.1 0.457 129.3 17.4 -95.5 -1.6 -4.6 37.1 16.2 10 7 L F T X >S+ 0 0 13 -3,-2.1 5,-2.7 29,-0.1 3,-1.0 0.431 130.2 25.1-128.8 -87.2 -1.1 37.5 17.6 11 8 L E G > 5S+ 0 0 16 1,-0.3 3,-2.6 3,-0.2 -5,-0.1 0.924 123.3 53.5 -49.0 -56.1 1.9 37.7 15.3 12 9 L K G 3 > S+ 0 0 35 1,-0.1 4,-0.7 2,-0.1 3,-0.6 0.376 87.4 104.0-128.9 -0.2 2.9 33.5 28.2 20 14CL E H >> S+ 0 0 25 -3,-0.2 4,-1.9 1,-0.2 3,-0.8 0.820 76.5 63.8 -48.3 -41.8 4.9 33.5 25.0 21 14DL R H 3> S+ 0 0 136 -4,-0.4 4,-2.7 1,-0.3 5,-0.3 0.881 91.9 63.3 -59.0 -42.7 7.7 35.5 26.7 22 14EL E H <> S+ 0 0 50 -3,-0.6 4,-1.3 1,-0.2 -1,-0.3 0.873 104.9 47.4 -42.1 -43.9 8.4 32.6 29.0 23 14FL L H << S+ 0 0 0 -3,-0.8 4,-0.5 -4,-0.7 141,-0.5 0.946 111.4 51.0 -69.2 -46.0 9.4 30.6 25.9 24 14GL L H >< S+ 0 0 87 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.861 110.3 46.8 -57.6 -42.5 11.5 33.4 24.6 25 14HL E H >< S+ 0 0 104 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.793 97.6 72.5 -75.2 -23.5 13.5 33.8 27.9 26 14IL S T 3< S+ 0 0 21 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.706 91.3 60.7 -58.4 -24.3 14.0 30.0 28.1 27 14JL Y T < 0 0 26 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.597 360.0 360.0 -77.3 -21.7 16.5 30.5 25.2 28 14KL I < 0 0 174 -3,-1.8 -3,-0.0 -4,-0.3 -4,-0.0 -0.617 360.0 360.0 -70.1 360.0 18.7 32.8 27.2 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 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 130.2 -3.2 19.4 30.5 31 17 H V B +A 220 0A 11 189,-3.4 189,-1.6 1,-0.2 143,-0.1 -0.893 360.0 1.1-105.7 136.0 -2.3 19.5 34.2 32 18 H E S S+ 0 0 122 141,-0.5 -1,-0.2 -2,-0.4 186,-0.1 0.849 101.6 131.8 59.9 37.4 -1.5 22.8 35.9 33 19 H G - 0 0 25 -3,-0.4 2,-0.3 151,-0.1 151,-0.2 -0.221 50.1-124.0-102.3-165.4 -2.1 24.7 32.6 34 20 H S E -B 183 0B 63 149,-2.7 149,-2.9 -2,-0.1 2,-0.2 -0.930 33.4 -83.8-138.6 159.7 -4.2 27.7 31.9 35 21 H D E -B 182 0B 97 -2,-0.3 147,-0.2 147,-0.2 146,-0.1 -0.498 50.3-124.8 -57.0 127.6 -7.1 28.6 29.6 36 22 H A - 0 0 7 145,-2.8 2,-0.2 -2,-0.2 -1,-0.1 -0.304 22.2-114.0 -65.3 159.1 -5.7 29.4 26.2 37 23 H E > - 0 0 42 1,-0.1 3,-1.5 -2,-0.0 4,-0.4 -0.577 45.4 -83.4 -84.9 160.3 -6.6 32.8 24.6 38 24 H I T 3 S+ 0 0 97 1,-0.2 -1,-0.1 -2,-0.2 57,-0.1 -0.485 116.9 10.4 -61.5 132.0 -8.7 32.8 21.5 39 25 H G T 3 S+ 0 0 11 -2,-0.2 -30,-0.4 104,-0.1 -1,-0.2 0.561 93.6 119.5 74.6 8.4 -6.6 32.2 18.4 40 26 H M S < S+ 0 0 5 -3,-1.5 -2,-0.1 1,-0.3 -33,-0.1 0.888 87.5 18.3 -69.3 -42.5 -3.6 31.4 20.6 41 27 H S S > S+ 0 0 13 -4,-0.4 3,-2.0 1,-0.1 -1,-0.3 -0.616 73.6 164.2-129.7 71.0 -3.3 27.9 19.1 42 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.2 0, 0.0 51,-0.2 0.526 72.5 62.8 -79.3 -4.1 -5.2 28.0 15.9 43 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 2,-0.3 0.297 74.9 125.0 -90.1 3.4 -3.6 24.9 14.6 44 30 H Q E < -K 60 0C 1 -3,-2.0 49,-1.0 16,-0.2 2,-0.4 -0.531 43.0-168.6 -65.9 127.6 -5.3 23.0 17.5 45 31 H V E -KL 59 92C 0 14,-2.8 14,-0.9 -2,-0.3 2,-0.6 -0.957 14.9-141.1-121.1 136.3 -7.3 20.2 16.1 46 32 H M E -KL 58 91C 0 45,-3.5 45,-2.5 -2,-0.4 2,-0.7 -0.903 8.9-147.7 -94.9 120.4 -9.8 18.1 18.0 47 33 H L E -KL 57 90C 0 10,-2.8 9,-2.9 -2,-0.6 10,-1.6 -0.795 28.2-174.4 -84.9 112.8 -9.9 14.3 17.1 48 34 H F E -KL 55 89C 17 41,-3.6 41,-3.7 -2,-0.7 2,-0.3 -0.934 24.2-135.4-127.4 126.2 -13.5 13.3 17.6 49 35 H R E > -KL 54 88C 71 5,-3.5 5,-1.6 -2,-0.5 39,-0.2 -0.627 12.7-148.0 -78.5 135.7 -15.3 9.9 17.5 50 36 H K T 5S+ 0 0 62 37,-2.6 3,-0.1 -2,-0.3 -1,-0.1 0.920 77.7 44.9 -69.3 -50.0 -18.6 10.0 15.6 51 36AH S T 5S+ 0 0 104 36,-0.4 -1,-0.3 1,-0.4 2,-0.2 -0.930 119.2 26.6-150.8 117.1 -20.5 7.3 17.6 52 37 H P T 5S- 0 0 76 0, 0.0 2,-0.5 0, 0.0 -1,-0.4 0.609 106.9-122.3 -60.0 150.7 -20.4 7.4 20.5 53 38 H Q T 5 + 0 0 135 -2,-0.2 2,-0.4 -3,-0.1 -3,-0.2 -0.568 54.6 152.9 -74.1 116.6 -19.8 11.1 20.3 54 39 H E E < -K 49 0C 78 -5,-1.6 -5,-3.5 -2,-0.5 2,-0.6 -0.994 50.4-127.5-158.8 129.9 -16.6 11.4 22.1 55 40 H L E +K 48 0C 44 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.765 36.4 170.0 -82.7 120.7 -13.5 13.7 22.2 56 41 H L E - 0 0 21 -9,-2.9 2,-0.3 -2,-0.6 -8,-0.2 0.849 46.2 -16.5-111.8 -31.1 -10.7 11.3 21.8 57 42 H b E -K 47 0C 5 -10,-1.6 -10,-2.8 168,-0.1 -1,-0.3 -0.970 56.2-105.1-156.5 169.1 -7.4 13.1 21.1 58 43 H G E +K 46 0C 2 168,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.405 35.7 167.4 -87.4-175.8 -5.7 16.2 20.2 59 44 H A E -K 45 0C 0 -14,-0.9 -14,-2.8 10,-0.2 2,-0.3 -0.918 22.9-122.0 178.7 172.8 -4.0 16.9 16.8 60 45 H S E -KM 44 68C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.991 15.1-118.2-145.8 152.2 -2.7 19.8 14.9 61 46 H L E + M 0 67C 0 -18,-2.1 86,-2.3 -2,-0.3 6,-0.2 -0.722 29.8 166.2 -93.7 120.9 -3.1 21.5 11.6 62 47 H I S S- 0 0 12 4,-1.9 2,-0.2 -2,-0.5 5,-0.1 0.495 73.6 -8.2-111.1 -7.7 -0.1 21.5 9.3 63 48 H S S S- 0 0 5 3,-0.9 -1,-0.2 82,-0.1 84,-0.1 -0.893 86.7 -83.1-162.7-174.7 -1.9 22.7 6.1 64 49 H D S S+ 0 0 34 -2,-0.2 74,-2.9 1,-0.2 3,-0.1 0.609 128.7 29.4 -68.4 -6.1 -5.6 23.2 5.0 65 50 H R S S+ 0 0 36 72,-0.2 69,-3.1 1,-0.1 2,-0.4 0.485 106.5 69.1-138.5 -14.0 -5.7 19.5 4.3 66 51 H W E - N 0 133C 12 67,-0.2 -4,-1.9 65,-0.0 -3,-0.9 -0.970 51.5-168.8-130.1 130.4 -3.4 17.6 6.6 67 52 H V E -MN 61 132C 0 65,-3.3 65,-3.2 -2,-0.4 2,-0.4 -0.982 10.2-148.3-126.1 137.4 -3.7 17.0 10.3 68 53 H L E +MN 60 131C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.833 29.3 148.5-101.6 134.3 -1.1 15.5 12.6 69 54 H T E - N 0 130C 0 61,-2.3 61,-2.1 -2,-0.4 2,-0.4 -0.798 49.8 -77.0-142.2-172.2 -1.9 13.4 15.6 70 55 H A > - 0 0 0 -12,-0.4 3,-1.5 59,-0.3 59,-0.3 -0.806 31.8-131.4 -91.1 144.2 -0.5 10.4 17.6 71 56 H A G >> S+ 0 0 0 -2,-0.4 3,-3.2 1,-0.3 4,-2.3 0.905 104.5 64.8 -59.7 -45.4 -0.8 7.0 16.2 72 57 H H G 34 S+ 0 0 6 1,-0.3 -1,-0.3 2,-0.2 175,-0.0 0.635 91.0 66.7 -53.2 -17.9 -2.1 5.6 19.5 73 58 H b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.660 117.6 23.1 -74.4 -18.6 -5.1 7.8 19.1 74 59 H L T <4 S+ 0 0 0 -3,-3.2 9,-3.1 1,-0.3 2,-0.4 0.692 130.1 31.7-115.4 -35.7 -6.2 5.7 16.1 75 60 H L B < +Q 82 0D 37 -4,-2.3 -1,-0.3 7,-0.2 7,-0.2 -0.978 57.0 141.0-141.0 112.6 -4.5 2.3 16.5 76 60AH Y > - 0 0 15 5,-2.9 3,-2.5 -2,-0.4 5,-0.4 -0.450 18.8-177.7-158.7 76.4 -3.8 0.7 19.8 77 60BH P G > S+ 0 0 47 0, 0.0 3,-3.0 0, 0.0 -1,-0.1 0.797 77.8 72.9 -41.0 -46.8 -4.4 -3.1 19.8 78 60CH P G 3 S+ 0 0 64 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.766 114.2 29.3 -49.6 -19.4 -3.5 -3.5 23.5 79 60DH W G < S- 0 0 154 -3,-2.5 3,-0.1 2,-0.2 0, 0.0 0.058 117.9-107.5-126.5 20.1 -6.9 -1.8 24.0 80 60EH D < + 0 0 160 -3,-3.0 2,-0.5 1,-0.2 -5,-0.0 0.950 68.0 147.8 50.6 58.9 -8.7 -3.0 20.8 81 60FH K + 0 0 56 -5,-0.4 -5,-2.9 2,-0.1 -1,-0.2 -0.999 6.2 145.1-124.9 121.6 -8.6 0.4 19.2 82 60GH N B -Q 75 0D 118 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.477 27.5-169.1-157.6 77.6 -8.3 0.5 15.4 83 60HH F - 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