==== 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 05-NOV-07 3B9F . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.LI,T.E.ADAMS,J.A.HUNTINGTON . 653 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 57 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 0 1 3 0 0 2 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 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 0 PARALLEL BRIDGES PER LADDER . 7 4 3 2 5 4 1 1 1 1 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 1 0 1 0 1 0 2 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 1RL S 0 0 88 0, 0.0 2,-0.3 0, 0.0 255,-0.1 0.000 360.0 360.0 360.0 97.1 -34.5 34.0 -61.9 2 1QL E + 0 0 161 253,-0.3 2,-0.3 2,-0.0 253,-0.0 -0.526 360.0 163.0 -75.6 130.0 -36.7 35.7 -59.4 3 1PL Y - 0 0 47 -2,-0.3 2,-0.6 14,-0.0 16,-0.0 -0.971 26.0-152.3-150.4 131.3 -35.5 35.7 -55.8 4 1OL Q - 0 0 173 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.921 25.2-127.9-106.7 118.6 -36.6 37.8 -52.8 5 1NL T - 0 0 76 -2,-0.6 3,-0.0 1,-0.1 12,-0.0 -0.297 23.4-176.9 -64.9 149.4 -33.9 38.3 -50.1 6 1ML F + 0 0 87 159,-0.1 -1,-0.1 161,-0.0 2,-0.1 0.643 58.9 63.3-116.9 -31.7 -34.8 37.4 -46.6 7 1LL F S S- 0 0 17 6,-0.0 3,-0.0 5,-0.0 284,-0.0 -0.438 78.5-116.0 -96.8 170.6 -31.7 38.4 -44.6 8 1KL N >> - 0 0 73 -2,-0.1 4,-3.0 1,-0.1 3,-2.3 -0.931 14.5-143.7-109.7 116.7 -29.9 41.7 -44.0 9 1JL P H 3> S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.762 95.4 73.9 -48.8 -28.0 -26.3 41.9 -45.4 10 1IL R H 34 S+ 0 0 132 1,-0.2 4,-0.1 2,-0.2 -3,-0.0 0.871 120.4 12.4 -56.1 -34.7 -25.3 43.9 -42.3 11 1HL T H <4 S+ 0 0 0 -3,-2.3 -1,-0.2 2,-0.1 286,-0.0 0.668 132.9 50.1-113.2 -26.0 -25.4 40.7 -40.3 12 1GL F H < S- 0 0 4 -4,-3.0 69,-0.6 1,-0.3 70,-0.2 0.732 94.9-140.0 -86.5 -27.3 -25.7 38.1 -43.1 13 1FL G < - 0 0 4 -4,-1.9 3,-0.3 -5,-0.4 -1,-0.3 -0.508 39.1 -46.0 91.9-170.4 -22.8 39.2 -45.2 14 1EL S S S+ 0 0 59 -2,-0.2 66,-2.0 1,-0.2 67,-0.3 -0.541 98.6 61.9 -99.0 166.0 -23.0 39.2 -49.0 15 1DL G + 0 0 18 64,-0.2 3,-0.4 -2,-0.2 -1,-0.2 0.170 62.0 106.5 111.6 -18.1 -24.2 36.6 -51.5 16 1CL E S > S+ 0 0 11 -3,-0.3 3,-2.1 1,-0.2 -2,-0.1 0.936 75.8 58.4 -62.9 -45.1 -27.9 36.0 -50.8 17 1BL A T 3 S+ 0 0 66 1,-0.3 -1,-0.2 147,-0.0 147,-0.0 0.820 116.2 34.6 -53.8 -35.0 -29.3 37.8 -53.8 18 1AL D T > S+ 0 0 59 -3,-0.4 3,-1.1 145,-0.0 -1,-0.3 0.144 91.2 143.7-106.4 19.5 -27.4 35.6 -56.2 19 1 L a T < + 0 0 1 -3,-2.1 144,-0.2 1,-0.2 145,-0.1 -0.115 59.5 17.8 -60.2 153.1 -27.6 32.4 -54.1 20 2 L G T 3 S+ 0 0 0 142,-2.7 239,-1.7 238,-0.2 2,-0.6 0.494 89.3 113.7 68.0 6.3 -28.1 29.0 -55.7 21 3 L L < - 0 0 18 -3,-1.1 -1,-0.1 141,-0.3 237,-0.1 -0.955 60.9-140.5-112.3 113.6 -27.0 29.9 -59.2 22 4 L R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.5 -0.589 5.9-141.7 -81.3 129.5 -23.7 28.1 -60.0 23 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.835 103.5 42.6 -54.0 -38.0 -21.0 29.9 -62.0 24 6 L L T 3 5S+ 0 0 32 134,-0.4 32,-0.1 31,-0.3 134,-0.0 0.397 130.0 18.9 -93.9 3.2 -20.1 26.8 -64.0 25 7 L F T X >S+ 0 0 13 -3,-1.5 5,-2.6 30,-0.1 3,-1.8 0.393 126.9 27.4-132.1 -87.7 -23.7 25.6 -64.6 26 8 L E G > 5S+ 0 0 20 1,-0.3 3,-1.2 3,-0.2 -5,-0.1 0.883 123.1 51.7 -49.9 -44.4 -26.8 27.9 -64.4 27 9 L K G 3 > S+ 0 0 41 2,-0.1 3,-1.0 1,-0.1 4,-0.9 0.417 85.6 98.6-123.0 5.0 -28.0 14.3 -62.9 35 14CL E H 3> S+ 0 0 7 -3,-0.4 4,-2.1 1,-0.3 3,-0.4 0.809 78.7 66.7 -64.1 -24.2 -30.1 17.4 -62.2 36 14DL R H 3> S+ 0 0 147 -4,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.874 94.8 58.6 -61.2 -34.6 -32.6 16.2 -64.9 37 14EL E H <> S+ 0 0 48 -3,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.871 105.9 48.5 -61.6 -37.6 -33.4 13.3 -62.5 38 14FL L H X S+ 0 0 0 -4,-0.9 4,-0.5 -3,-0.4 3,-0.5 0.944 111.5 47.9 -68.4 -48.5 -34.4 15.8 -59.9 39 14GL L H >< S+ 0 0 50 -4,-2.1 3,-1.2 1,-0.2 4,-0.2 0.879 109.8 53.8 -60.9 -37.4 -36.6 17.8 -62.2 40 14HL E H >< S+ 0 0 95 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.803 96.5 66.3 -68.1 -26.5 -38.2 14.6 -63.4 41 14IL S H 3< S+ 0 0 21 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.691 91.6 64.4 -68.2 -16.4 -39.1 13.6 -59.9 42 14JL Y T << S+ 0 0 34 -3,-1.2 2,-0.4 -4,-0.5 -1,-0.3 0.616 79.3 101.2 -81.1 -12.6 -41.4 16.5 -59.7 43 14KL I < 0 0 125 -3,-1.5 -3,-0.0 -4,-0.2 0, 0.0 -0.598 360.0 360.0 -76.0 127.0 -43.7 15.0 -62.4 44 14LL D 0 0 188 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.0 0.463 360.0 360.0-154.8 360.0 -46.8 13.4 -61.0 45 !* 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 46 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 127.7 -21.8 8.9 -49.5 47 17 H V B -A 239 0A 8 192,-3.1 192,-1.5 1,-0.2 143,-0.1 -0.816 360.0 -1.8 -99.1 132.0 -22.9 5.3 -50.4 48 18 H E S S+ 0 0 127 141,-0.5 -1,-0.2 -2,-0.4 189,-0.1 0.806 100.6 126.3 62.6 32.3 -23.7 4.4 -54.0 49 19 H G - 0 0 27 -3,-0.4 2,-0.3 154,-0.1 154,-0.2 -0.188 50.9-125.7-101.2-162.3 -23.1 8.0 -55.2 50 20 H S E -B 202 0B 62 152,-2.2 152,-2.4 -2,-0.1 2,-0.2 -0.898 36.0 -72.3-141.9 169.6 -20.8 9.2 -58.0 51 21 H D E -B 201 0B 109 -2,-0.3 150,-0.2 150,-0.2 149,-0.1 -0.450 51.1-123.9 -66.2 134.8 -18.0 11.7 -58.5 52 22 H A - 0 0 7 148,-2.8 2,-0.2 -2,-0.2 -1,-0.1 -0.392 24.4-116.0 -74.0 156.2 -19.2 15.3 -58.4 53 23 H E > - 0 0 44 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.583 46.1 -79.1 -88.8 158.6 -18.5 17.5 -61.4 54 24 H I T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.365 117.0 3.3 -59.9 131.3 -16.2 20.5 -60.9 55 25 H G T 3 S+ 0 0 13 2,-0.1 -31,-0.3 104,-0.1 -1,-0.3 0.615 91.4 127.8 68.4 13.9 -18.1 23.4 -59.4 56 26 H M S < S+ 0 0 8 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.777 83.3 24.0 -71.3 -27.0 -21.3 21.2 -59.1 57 27 H S S > S+ 0 0 14 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.569 70.4 167.6-138.2 68.6 -21.7 22.0 -55.4 58 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.568 75.8 61.3 -63.2 -8.5 -19.9 25.4 -54.9 59 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.9 103,-0.1 2,-0.2 0.381 76.4 124.7 -95.8 -0.1 -21.5 25.8 -51.4 60 30 H Q E < -J 76 0C 3 -3,-2.3 49,-1.0 16,-0.2 2,-0.4 -0.412 41.7-169.2 -64.7 130.3 -19.8 22.6 -50.2 61 31 H V E -JK 75 108C 0 14,-2.2 14,-1.2 -2,-0.2 2,-0.5 -0.972 15.0-145.5-126.3 140.9 -17.7 23.1 -47.1 62 32 H M E -JK 74 107C 0 45,-2.6 45,-2.3 -2,-0.4 2,-0.5 -0.892 14.1-153.7-102.7 126.4 -15.2 20.8 -45.4 63 33 H L E -JK 73 106C 0 10,-2.7 9,-3.0 -2,-0.5 10,-1.5 -0.889 15.9-173.1-104.9 128.9 -15.1 21.0 -41.6 64 34 H F E -JK 71 105C 8 41,-2.9 41,-1.4 -2,-0.5 2,-0.2 -0.846 20.0-145.4-120.8 157.3 -11.8 20.0 -39.9 65 35 H R E > -JK 70 104C 49 5,-1.7 5,-0.6 -2,-0.3 2,-0.3 -0.618 31.9-125.9-105.1 168.9 -10.5 19.5 -36.3 66 36 H K T 5 + 0 0 77 37,-1.0 3,-0.2 -2,-0.2 36,-0.0 -0.845 67.2 41.7-126.3 162.8 -6.9 20.5 -35.5 67 36AH S T 5S+ 0 0 100 -2,-0.3 -1,-0.2 2,-0.0 2,-0.1 0.869 134.7 28.3 33.0 76.0 -3.7 19.1 -34.1 68 37 H P T 5S- 0 0 63 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 0.578 106.3-152.6 -81.9 156.6 -4.2 16.6 -35.5 69 38 H Q T 5 + 0 0 122 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.2 -0.836 30.5 146.6 -97.8 121.9 -6.1 18.0 -38.4 70 39 H E E < -J 65 0C 62 -2,-0.6 -5,-1.7 -5,-0.6 2,-0.2 -0.981 55.0 -78.8-149.3 157.8 -8.6 15.6 -40.1 71 40 H L E +J 64 0C 7 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.407 45.6 168.5 -62.1 122.7 -11.9 15.7 -41.8 72 41 H L E - 0 0 12 -9,-3.0 554,-2.9 1,-0.3 2,-0.3 0.843 54.9 -31.6 -99.7 -51.1 -14.7 15.9 -39.2 73 42 H b E -J 63 0C 2 -10,-1.5 -10,-2.7 552,-0.2 -1,-0.3 -0.920 56.3 -94.1-158.0-179.6 -17.9 16.7 -41.2 74 43 H G E +J 62 0C 3 171,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.479 38.5 171.8 -98.1 173.9 -19.5 18.4 -44.1 75 44 H A E -J 61 0C 0 -14,-1.2 -14,-2.2 -2,-0.2 2,-0.3 -0.932 21.4-123.7-168.5 176.2 -21.0 21.9 -44.0 76 45 H S E -JL 60 84C 0 8,-2.3 8,-2.4 -2,-0.3 2,-0.6 -0.977 13.0-125.4-140.2 152.8 -22.5 24.4 -46.4 77 46 H L E + L 0 83C 0 -18,-1.9 86,-2.3 -2,-0.3 6,-0.2 -0.856 27.5 167.9 -98.5 122.6 -21.9 28.1 -47.4 78 47 H I S S- 0 0 2 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.510 71.4 -10.0-111.0 -7.0 -24.9 30.3 -47.1 79 48 H S S S- 0 0 0 3,-1.1 -1,-0.2 -64,-0.1 -64,-0.2 -0.924 83.8 -85.3-168.3-177.8 -23.1 33.7 -47.5 80 49 H D S S+ 0 0 24 -66,-2.0 74,-2.1 -2,-0.3 -67,-0.1 0.549 129.1 35.7 -80.6 -1.4 -19.6 35.0 -47.5 81 50 H R S S+ 0 0 52 -69,-0.6 69,-1.5 -67,-0.3 2,-0.4 0.427 109.4 65.0-126.0 -6.8 -19.7 35.1 -43.7 82 51 H W E - 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