==== 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 16-OCT-94 1FPC . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,I.I.MATHEWS . 285 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 61.4 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 . 78 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 . 2 0.7 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 . 1 0.4 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 2 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 . 4 5 1 3 3 1 1 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 1AL D > 0 0 117 0, 0.0 3,-1.6 0, 0.0 145,-0.1 0.000 360.0 360.0 360.0 -18.6 10.0 18.7 19.5 2 1 L a T 3 + 0 0 41 1,-0.3 143,-0.2 143,-0.1 3,-0.1 -0.172 360.0 20.8 -51.7 151.8 10.9 15.1 20.3 3 2 L G T 3 S+ 0 0 0 141,-1.7 236,-1.6 235,-0.1 2,-0.6 0.274 90.6 110.9 66.1 -2.0 8.1 12.9 21.7 4 3 L L < - 0 0 34 -3,-1.6 -1,-0.1 140,-0.2 234,-0.1 -0.947 60.6-141.9-105.3 114.5 5.0 15.0 20.5 5 4 L R > > - 0 0 0 -2,-0.6 3,-2.5 1,-0.1 5,-2.2 -0.674 7.5-139.3 -80.2 129.8 3.1 13.1 17.9 6 5 L P T 3 5S+ 0 0 16 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.848 103.7 43.7 -47.1 -43.1 1.6 15.2 15.0 7 6 L L T 3 5S+ 0 0 34 133,-0.5 31,-0.0 30,-0.2 29,-0.0 0.273 131.1 14.4 -90.2 4.9 -1.6 13.1 15.1 8 7 L F T X >S+ 0 0 15 -3,-2.5 5,-2.8 29,-0.1 3,-0.7 0.399 129.8 31.5-138.8 -76.3 -2.2 13.0 18.8 9 8 L E G > 5S+ 0 0 33 1,-0.2 3,-1.0 3,-0.2 -2,-0.1 0.875 118.7 54.0 -56.6 -46.8 -0.2 15.4 21.1 10 9 L K G 3 - 0 0 5 -2,-0.3 3,-0.6 1,-0.1 4,-0.4 -0.367 36.6 -97.5 -81.4 166.8 -4.5 7.2 21.6 16 14AL K T 3 S+ 0 0 172 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.615 114.5 23.4 -62.0 -22.4 -6.8 4.4 22.6 17 14BL T T >> S+ 0 0 51 2,-0.1 3,-1.4 1,-0.1 4,-0.7 0.425 84.1 101.7-126.6 8.4 -4.7 3.0 25.4 18 14CL E H <> S+ 0 0 5 -3,-0.6 4,-2.2 1,-0.3 3,-0.4 0.747 74.9 71.7 -62.5 -25.0 -2.4 5.7 26.7 19 14DL R H 3> S+ 0 0 55 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.795 91.7 57.6 -54.2 -34.4 -4.7 6.1 29.7 20 14EL E H <> S+ 0 0 59 -3,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.888 105.7 49.2 -65.5 -41.8 -3.5 2.7 31.0 21 14FL L H >X S+ 0 0 0 -4,-0.7 3,-1.4 -3,-0.4 4,-0.9 0.984 114.4 45.3 -61.1 -51.4 0.1 4.0 31.1 22 14GL L H >< S+ 0 0 50 -4,-2.2 3,-1.0 1,-0.3 -2,-0.2 0.892 108.5 54.5 -64.1 -40.6 -1.0 7.1 32.9 23 14HL E H 3< S+ 0 0 152 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.614 106.3 56.2 -63.5 -17.6 -3.2 5.4 35.4 24 14IL S H << S+ 0 0 20 -3,-1.4 2,-2.4 -4,-0.7 -1,-0.3 0.695 77.1 94.3 -89.7 -22.9 -0.2 3.2 36.3 25 14JL Y << 0 0 20 -3,-1.0 -1,-0.1 -4,-0.9 136,-0.1 -0.533 360.0 360.0 -74.7 79.3 2.2 6.1 37.2 26 14KL I 0 0 184 -2,-2.4 -1,-0.2 0, 0.0 -2,-0.1 -0.403 360.0 360.0 98.2 360.0 1.2 5.8 40.9 27 !* 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 28 16 H I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 139.9 4.1 -9.2 19.5 29 17 H V B +A 219 0A 12 190,-2.3 190,-1.1 1,-0.2 143,-0.1 -0.890 360.0 4.0-109.7 121.8 1.9 -11.6 21.4 30 18 H E S S+ 0 0 124 -2,-0.5 -1,-0.2 141,-0.4 187,-0.2 0.776 102.7 119.7 78.0 22.9 -1.5 -10.5 22.8 31 19 H G - 0 0 25 -3,-0.3 2,-0.3 152,-0.1 152,-0.2 -0.104 52.1-132.2 -98.0-158.0 -1.1 -7.0 21.3 32 20 H S E -B 182 0B 70 150,-1.5 150,-2.2 -2,-0.1 2,-0.2 -0.917 33.8 -71.8-151.7 175.7 -3.3 -5.1 18.9 33 21 H D E -B 181 0B 99 -2,-0.3 148,-0.3 148,-0.2 2,-0.1 -0.474 49.5-125.0 -76.0 140.9 -3.1 -3.1 15.7 34 22 H A - 0 0 7 146,-2.9 2,-0.1 -2,-0.2 3,-0.1 -0.502 23.4-117.7 -73.2 157.6 -1.6 0.3 16.3 35 23 H E > - 0 0 40 1,-0.1 3,-1.6 -2,-0.1 4,-0.3 -0.440 50.2 -74.1 -84.2 174.9 -3.6 3.3 15.1 36 24 H I T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.382 118.3 4.5 -72.9 145.2 -2.0 5.5 12.3 37 25 H G T 3 S+ 0 0 14 104,-0.1 -1,-0.3 2,-0.1 -30,-0.2 0.670 90.5 130.0 54.8 16.8 0.9 7.7 13.5 38 26 H M S < S+ 0 0 6 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.852 82.7 21.7 -65.6 -27.8 0.5 6.1 17.0 39 27 H S S > S+ 0 0 16 -4,-0.3 3,-1.7 102,-0.1 -1,-0.3 -0.633 70.7 171.6-142.4 74.9 4.3 5.4 17.0 40 28 H P T 3 S+ 0 0 4 0, 0.0 103,-1.1 0, 0.0 51,-0.2 0.609 75.3 60.1 -68.5 -15.3 6.1 7.7 14.6 41 29 H W T 3 S+ 0 0 4 101,-0.2 18,-1.6 103,-0.1 104,-0.1 0.582 77.1 122.6 -86.6 -9.0 9.6 6.8 15.7 42 30 H Q E < -J 58 0C 4 -3,-1.7 49,-0.8 16,-0.2 2,-0.3 -0.224 40.6-174.2 -62.4 125.1 9.1 3.1 14.7 43 31 H V E -JK 57 90C 0 14,-1.8 14,-1.0 47,-0.1 2,-0.5 -0.936 18.4-141.1-121.9 153.1 11.6 1.9 12.1 44 32 H M E -JK 56 89C 0 45,-2.1 45,-1.7 -2,-0.3 2,-0.6 -0.962 10.5-145.2-117.0 126.4 11.9 -1.4 10.2 45 33 H L E -JK 55 88C 0 10,-3.6 9,-3.8 -2,-0.5 10,-0.8 -0.872 29.1-165.5 -83.7 122.6 15.3 -2.9 9.6 46 34 H F E -JK 53 87C 0 41,-3.1 41,-1.5 -2,-0.6 2,-0.2 -0.941 17.8-137.2-125.0 131.4 15.0 -4.5 6.2 47 35 H R E > -JK 52 86C 75 5,-4.0 5,-1.1 -2,-0.5 39,-0.2 -0.478 7.0-154.7 -80.2 136.0 17.2 -7.0 4.4 48 36 H K E 5S+J 51 0C 38 37,-1.8 3,-0.5 1,-0.2 -1,-0.1 0.863 77.2 46.0 -79.3 -31.9 17.8 -6.3 0.7 49 36AH S T 5S+ 0 0 99 1,-0.8 -1,-0.2 36,-0.4 2,-0.2 -0.745 126.7 19.6-166.6 107.5 18.5 -9.9 -0.4 50 37 H P T 5S- 0 0 74 0, 0.0 -1,-0.8 0, 0.0 2,-0.2 0.507 106.9-132.7 -59.3 146.0 16.7 -11.9 0.5 51 38 H Q E 5 +J 48 0C 59 -3,-0.5 2,-0.3 -2,-0.2 -3,-0.2 -0.609 51.6 140.8 -70.9 128.9 14.4 -8.9 1.1 52 39 H E E < -J 47 0C 70 -5,-1.1 -5,-4.0 -2,-0.2 2,-0.3 -0.904 59.5 -89.4-170.5 151.5 13.1 -9.6 4.6 53 40 H L E +J 46 0C 37 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.508 40.1 176.1 -68.5 126.8 12.2 -8.0 7.9 54 41 H L E - 0 0 23 -9,-3.8 2,-0.3 1,-0.4 -8,-0.2 0.868 51.7 -44.1 -95.1 -59.7 15.3 -7.9 10.1 55 42 H b E -J 45 0C 3 -10,-0.8 -10,-3.6 169,-0.1 -1,-0.4 -0.888 52.2 -97.0-159.2-179.8 14.3 -6.0 13.3 56 43 H G E +J 44 0C 2 169,-2.6 12,-0.4 168,-0.3 2,-0.3 -0.556 42.0 168.3 -98.5 175.8 12.5 -3.0 14.7 57 44 H A E -J 43 0C 0 -14,-1.0 -14,-1.8 -2,-0.2 2,-0.3 -0.817 25.4-114.1-176.7 179.5 14.5 0.2 15.6 58 45 H S E -JL 42 66C 0 8,-1.6 8,-3.3 -2,-0.3 2,-0.6 -0.982 13.5-125.8-142.1 146.5 13.7 3.8 16.6 59 46 H L E + L 0 65C 0 -18,-1.6 86,-1.9 -2,-0.3 6,-0.2 -0.860 31.0 167.2 -92.7 121.8 14.2 7.3 15.1 60 47 H I - 0 0 20 4,-2.8 2,-0.2 -2,-0.6 5,-0.2 0.663 67.5 -5.5-111.4 -13.1 15.9 9.6 17.5 61 48 H S S S- 0 0 37 3,-1.1 3,-0.3 85,-0.1 -1,-0.1 -0.714 91.2 -81.3-156.7-170.5 16.9 12.6 15.3 62 49 H D S S+ 0 0 66 -2,-0.2 74,-2.9 1,-0.2 72,-0.1 0.500 129.5 27.3 -83.9 -0.6 16.7 13.2 11.5 63 50 H R S S+ 0 0 57 72,-0.2 69,-3.1 1,-0.1 2,-0.4 0.238 107.2 81.8-132.9 1.7 19.9 11.1 10.8 64 51 H W E - M 0 131C 26 -3,-0.3 -4,-2.8 67,-0.2 -3,-1.1 -0.977 47.6-172.4-128.4 134.5 20.1 8.6 13.8 65 52 H V E -LM 59 130C 0 65,-2.8 65,-1.8 -2,-0.4 2,-0.5 -0.900 12.8-148.1-121.0 134.2 18.4 5.3 14.4 66 53 H L E +LM 58 129C 0 -8,-3.3 -8,-1.6 -2,-0.4 2,-0.2 -0.913 30.5 144.5-112.8 132.8 18.6 3.3 17.6 67 54 H T E - M 0 128C 0 61,-2.7 61,-2.3 -2,-0.5 2,-0.3 -0.867 49.5 -77.3-148.9 179.9 18.5 -0.5 17.6 68 55 H A > - 0 0 0 -12,-0.4 3,-1.7 -2,-0.2 4,-0.3 -0.722 30.7-133.2 -89.7 144.0 19.9 -3.6 19.5 69 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.3 3,-1.8 0.816 105.1 68.0 -63.0 -30.6 23.5 -4.8 18.7 70 57 H H G 34 S+ 0 0 20 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.639 86.7 67.1 -65.8 -13.8 22.1 -8.3 18.4 71 58 H b G <4 S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.753 116.0 26.3 -73.3 -23.4 20.2 -7.2 15.2 72 59 H L T <4 S+ 0 0 1 -3,-1.8 9,-2.6 -4,-0.3 2,-0.4 0.803 125.5 32.8-104.7 -41.2 23.6 -6.8 13.5 73 60 H L E < +P 80 0D 37 -4,-2.2 -1,-0.3 7,-0.2 7,-0.2 -0.980 47.5 141.6-135.0 118.6 26.1 -9.1 15.1 74 60AH Y E > > -P 79 0D 25 5,-2.0 5,-2.2 -2,-0.4 3,-1.3 -0.723 21.9-173.1-153.3 78.8 25.7 -12.5 16.7 75 60BH P G > 5S+ 0 0 47 0, 0.0 3,-3.2 0, 0.0 -1,-0.1 0.867 78.9 66.7 -49.8 -38.3 28.8 -14.6 15.8 76 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.872 111.2 36.6 -53.8 -37.8 27.4 -17.8 17.3 77 60DH W G < 5S- 0 0 157 -3,-1.3 -3,-0.0 2,-0.1 0, 0.0 -0.064 119.6-109.7 -99.6 26.0 24.8 -17.9 14.6 78 60EH D T < 5 + 0 0 157 -3,-3.2 2,-0.4 1,-0.2 0, 0.0 0.579 66.4 153.5 52.8 29.6 27.2 -16.4 12.0 79 60FH K E < +P 74 0D 53 -5,-2.2 -5,-2.0 1,-0.0 -1,-0.2 -0.662 5.0 140.9 -93.0 130.5 25.3 -13.0 11.9 80 60GH N E -P 73 0D 113 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.2 -0.326 24.2-172.5-169.8 79.7 27.2 -9.9 10.9 81 60HH F - 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