==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-FEB-04 1SB1 . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.MARINKO,A.KRBAVCIC,G.MLINSEK,T.SOLMAJER,A.TRAMPUS-BAKIJA,M . 288 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.1 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 . 76 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.4 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 . 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 4 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 . 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 1CL E > 0 0 105 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.1 13.3 18.5 17.2 2 1BL A T 3 + 0 0 90 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.561 360.0 52.3 -70.8 -6.4 15.5 20.8 15.0 3 1AL D T > S+ 0 0 56 145,-0.1 3,-1.2 2,-0.0 -1,-0.3 0.272 79.4 133.9-111.6 9.8 18.5 19.1 16.7 4 1 L a T < + 0 0 21 -3,-1.7 144,-0.2 1,-0.2 145,-0.1 -0.191 68.2 17.8 -59.8 151.2 17.5 15.5 16.0 5 2 L G T 3 S+ 0 0 0 142,-2.7 237,-1.9 236,-0.2 2,-0.6 0.553 90.4 114.9 66.6 10.2 20.2 13.2 14.6 6 3 L L < - 0 0 29 -3,-1.2 -1,-0.1 141,-0.3 235,-0.1 -0.957 61.3-139.4-113.4 112.5 23.2 15.3 15.6 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.6 -0.581 4.8-140.8 -79.2 128.3 25.2 13.4 18.2 8 5 L P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.853 104.3 40.9 -50.1 -42.5 26.7 15.4 21.2 9 6 L L T 3 5S+ 0 0 31 134,-0.5 32,-0.1 31,-0.3 134,-0.0 0.445 131.4 20.1 -91.7 1.4 29.9 13.4 21.1 10 7 L F T X>>S+ 0 0 14 -3,-1.6 5,-2.3 30,-0.1 3,-1.4 0.410 128.2 24.7-129.6 -89.3 30.2 13.3 17.3 11 8 L E G >45S+ 0 0 31 1,-0.3 3,-0.9 3,-0.2 -5,-0.1 0.859 120.8 56.2 -51.5 -42.1 28.4 15.7 15.0 12 9 L K G 34> S+ 0 0 40 2,-0.1 3,-1.3 1,-0.1 4,-0.8 0.432 85.2 98.7-128.9 3.7 32.8 3.5 10.5 20 14CL E H >> S+ 0 0 12 -3,-0.5 4,-2.0 1,-0.3 3,-0.5 0.827 79.3 66.4 -62.7 -27.1 30.5 6.3 9.4 21 14DL R H 3> S+ 0 0 165 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.844 92.4 61.7 -60.3 -32.7 32.7 6.9 6.4 22 14EL E H <> S+ 0 0 52 -3,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.894 104.9 47.9 -59.6 -40.5 31.7 3.4 5.2 23 14FL L H XX S+ 0 0 1 -4,-0.8 3,-1.1 -3,-0.5 4,-0.7 0.965 111.3 48.7 -64.2 -52.3 28.1 4.6 5.0 24 14GL L H >< S+ 0 0 101 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.905 108.1 54.8 -55.1 -44.9 29.0 7.8 3.1 25 14HL E H 3< S+ 0 0 111 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.751 103.9 56.2 -63.3 -22.7 31.1 5.8 0.6 26 14IL S H << S+ 0 0 16 -3,-1.1 2,-1.9 -4,-0.9 -1,-0.3 0.643 84.1 84.0 -83.7 -14.7 28.1 3.6 -0.2 27 14JL Y << + 0 0 20 -3,-1.4 -1,-0.2 -4,-0.7 137,-0.1 -0.454 54.4 150.1 -87.6 66.5 25.9 6.6 -1.1 28 14KL I 0 0 131 -2,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.672 360.0 360.0 -74.7 -21.9 27.3 6.6 -4.7 29 14LL D 0 0 150 -3,-0.3 -1,-0.2 129,-0.1 -2,-0.1 -0.099 360.0 360.0 -89.6 360.0 24.3 7.9 -6.5 30 !* 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 31 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 127.0 24.1 -8.5 16.6 32 17 H V B -A 222 0A 10 190,-2.9 190,-1.5 1,-0.2 143,-0.1 -0.835 360.0 -3.2-100.4 130.6 26.1 -11.1 14.7 33 18 H E S S+ 0 0 127 141,-0.5 -1,-0.2 -2,-0.5 187,-0.2 0.807 102.1 116.7 62.8 34.3 29.5 -10.2 13.3 34 19 H G - 0 0 28 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.132 56.4-120.5-106.8-152.4 29.4 -6.6 14.4 35 20 H S E -B 185 0B 60 150,-2.1 150,-2.7 -2,-0.1 2,-0.1 -0.930 34.8 -69.1-149.0 170.4 31.6 -4.7 16.8 36 21 H D E -B 184 0B 108 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.392 53.0-121.3 -63.7 138.0 31.5 -2.8 20.1 37 22 H A - 0 0 6 146,-2.8 2,-0.2 59,-0.1 -1,-0.1 -0.438 24.8-113.7 -76.5 154.8 29.8 0.6 19.7 38 23 H E > - 0 0 43 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.521 46.8 -81.8 -83.6 157.9 31.8 3.7 20.6 39 24 H I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.401 117.2 4.5 -60.5 132.1 30.6 5.8 23.6 40 25 H G T 3 S+ 0 0 12 2,-0.1 -31,-0.3 104,-0.1 -1,-0.3 0.642 91.4 129.4 67.3 14.9 27.7 8.0 22.6 41 26 H M S < S+ 0 0 6 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.804 82.1 22.2 -70.2 -30.1 27.7 6.5 19.1 42 27 H S S > S+ 0 0 11 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.571 70.1 168.3-138.8 68.4 23.9 5.7 19.1 43 28 H P T 3 S+ 0 0 1 0, 0.0 103,-2.1 0, 0.0 51,-0.2 0.542 76.6 59.8 -62.5 -8.5 22.4 8.1 21.7 44 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.402 78.1 123.8 -97.4 -1.6 18.9 7.4 20.6 45 30 H Q E < -J 61 0C 2 -3,-2.3 49,-1.0 16,-0.2 50,-0.4 -0.399 41.9-170.6 -64.9 133.1 19.4 3.7 21.4 46 31 H V E -JK 60 93C 0 14,-2.1 14,-1.2 47,-0.2 2,-0.5 -0.966 15.6-148.7-128.2 141.4 16.8 2.4 23.8 47 32 H M E -JK 59 92C 0 45,-2.4 45,-2.6 -2,-0.4 2,-0.7 -0.946 12.5-143.8-108.5 126.9 16.6 -0.9 25.7 48 33 H L E -JK 58 91C 2 10,-3.1 9,-3.2 -2,-0.5 10,-1.3 -0.842 26.0-164.5 -90.0 120.7 13.2 -2.3 26.5 49 34 H F E -JK 56 90C 0 41,-3.1 41,-2.5 -2,-0.7 2,-0.4 -0.927 15.9-138.1-117.5 128.5 13.5 -3.9 29.9 50 35 H R E > -JK 55 89C 79 5,-3.0 5,-1.1 -2,-0.4 39,-0.2 -0.669 11.0-145.7 -82.1 132.0 11.1 -6.4 31.5 51 36 H K T 5S+ 0 0 66 37,-2.2 3,-0.3 -2,-0.4 -1,-0.1 0.931 78.3 47.7 -63.4 -49.9 10.5 -5.7 35.3 52 36AH S T 5S+ 0 0 97 1,-0.4 -1,-0.2 36,-0.4 2,-0.1 -0.917 119.5 22.1-152.4 121.1 10.2 -9.3 36.4 53 37 H P T 5S- 0 0 78 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 0.530 104.8-125.7 -68.6 147.5 12.0 -11.3 35.6 54 38 H Q T 5 + 0 0 77 -3,-0.3 230,-0.3 -2,-0.1 2,-0.3 -0.515 57.6 132.3 -66.2 112.2 14.5 -8.5 35.0 55 39 H E E < -J 50 0C 73 -5,-1.1 -5,-3.0 -2,-0.6 2,-0.4 -0.991 62.4 -87.8-159.3 162.0 15.6 -9.1 31.4 56 40 H L E +J 49 0C 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.600 37.5 175.0 -74.0 125.5 16.2 -7.6 28.0 57 41 H L E - 0 0 19 -9,-3.2 2,-0.3 -2,-0.4 169,-0.2 0.818 54.9 -44.3-100.4 -39.1 13.0 -7.6 25.9 58 42 H b E -J 48 0C 3 -10,-1.3 -10,-3.1 169,-0.1 -1,-0.4 -0.980 53.4 -91.4-175.7 175.5 14.0 -5.7 22.8 59 43 H G E +J 47 0C 1 169,-3.7 12,-0.4 -2,-0.3 2,-0.3 -0.486 42.2 164.6 -96.8 174.9 15.7 -2.7 21.3 60 44 H A E -J 46 0C 0 -14,-1.2 -14,-2.1 -2,-0.2 2,-0.3 -0.940 24.9-117.9-173.0-179.5 14.0 0.6 20.5 61 45 H S E -JL 45 69C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.6 -0.994 14.0-123.1-143.5 150.3 14.8 4.2 19.7 62 46 H L E + L 0 68C 0 -18,-2.2 86,-2.2 -2,-0.3 6,-0.2 -0.795 29.6 167.0 -92.4 119.1 14.3 7.7 21.1 63 47 H I - 0 0 18 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.530 69.1 -8.0-108.5 -8.9 12.5 10.0 18.7 64 48 H S S S- 0 0 25 3,-1.1 -1,-0.2 85,-0.1 3,-0.1 -0.932 86.4 -81.8-166.8 179.2 11.6 12.9 21.1 65 49 H D S S+ 0 0 64 -2,-0.3 74,-2.2 1,-0.2 72,-0.1 0.669 129.6 27.8 -70.6 -12.0 11.8 13.6 24.8 66 50 H R S S+ 0 0 42 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.464 109.2 73.9-125.0 -6.1 8.5 11.7 25.3 67 51 H W E - M 0 134C 8 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.1 -0.940 48.0-172.6-123.5 136.9 8.3 9.1 22.5 68 52 H V E -LM 62 133C 0 65,-2.6 65,-2.2 -2,-0.4 2,-0.4 -0.973 13.4-148.6-123.4 136.0 10.0 5.8 21.8 69 53 H L E +LM 61 132C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.3 -0.824 29.0 145.9-105.1 139.5 9.7 3.8 18.6 70 54 H T E - M 0 131C 0 61,-2.5 61,-2.5 -2,-0.4 2,-0.3 -0.877 49.8 -72.9-154.4-175.2 10.0 -0.0 18.5 71 55 H A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.3 4,-0.4 -0.723 34.0-132.3 -90.1 140.2 8.6 -3.1 16.7 72 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.3 3,-1.9 0.870 104.7 63.2 -59.1 -36.5 5.0 -4.2 17.4 73 57 H H G 34 S+ 0 0 22 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.640 90.0 68.9 -67.0 -10.0 6.1 -7.8 17.8 74 58 H b G <4 S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.755 116.6 23.3 -75.2 -23.4 8.2 -6.7 20.8 75 59 H L T <4 S+ 0 0 2 -3,-1.9 9,-2.0 -4,-0.4 2,-0.4 0.688 130.7 34.7-112.0 -30.4 5.0 -6.0 22.7 76 60 H L E < +P 83 0D 36 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.946 54.9 137.7-138.0 115.8 2.4 -8.1 21.0 77 60AH Y E > > -P 82 0D 57 5,-2.9 3,-2.4 -2,-0.4 5,-1.6 -0.508 22.6-173.0-155.9 78.4 2.9 -11.6 19.5 78 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.760 79.6 70.6 -42.0 -41.0 0.1 -14.0 20.2 79 60CH P G 3 5S+ 0 0 67 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.800 111.8 32.2 -53.0 -27.9 1.8 -17.1 18.8 80 60DH W G < 5S- 0 0 194 -3,-2.4 3,-0.1 2,-0.1 0, 0.0 0.097 117.3-109.9-114.6 19.4 4.2 -16.9 21.7 81 60EH D T < 5 + 0 0 157 -3,-2.4 2,-0.6 1,-0.2 -5,-0.0 0.843 66.2 153.2 54.3 37.6 1.7 -15.6 24.2 82 60FH K E < +P 77 0D 45 -5,-1.6 -5,-2.9 2,-0.0 -1,-0.2 -0.884 4.0 140.2-101.0 124.9 3.4 -12.2 24.3 83 60GH N E -P 76 0D 116 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.466 27.3-171.4-162.2 77.8 1.1 -9.3 25.2 84 60HH F - 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