==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-SEP-11 3TU7 . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MALLEY,J.S.SACK . 292 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.3 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 26.0 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 . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.2 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 0 1 2 0 0 1 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 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 1GL F 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.8 35.7 -13.6 -4.4 2 1FL G + 0 0 35 3,-0.0 3,-0.1 2,-0.0 274,-0.0 -0.148 360.0 31.6-168.6 -80.8 36.1 -10.7 -5.0 3 1EL S S S- 0 0 87 1,-0.4 149,-0.2 148,-0.0 2,-0.2 0.415 95.8-123.1 -86.2 -2.9 35.3 -7.4 -6.6 4 1DL G - 0 0 47 147,-0.1 -1,-0.4 3,-0.0 2,-0.3 -0.525 50.9 -23.3 92.7-158.6 31.7 -8.8 -6.2 5 1CL E > - 0 0 57 -2,-0.2 3,-1.9 -3,-0.1 -3,-0.0 -0.650 59.4-117.6 -87.7 148.5 29.1 -9.3 -8.9 6 1BL A T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.649 112.5 64.0 -51.0 -22.5 29.3 -7.3 -12.1 7 1AL D T > S+ 0 0 63 143,-0.1 3,-1.1 2,-0.0 -1,-0.3 0.517 73.8 127.4 -70.6 -39.0 25.9 -5.9 -11.0 8 1 L a T < S+ 0 0 6 -3,-1.9 142,-0.3 1,-0.2 143,-0.1 0.003 71.7 3.0 -46.6 142.8 26.8 -4.1 -7.8 9 2 L G T 3 S+ 0 0 0 140,-1.8 235,-1.1 234,-0.2 2,-0.6 0.490 96.3 111.9 63.0 11.6 26.0 -0.4 -7.0 10 3 L L < - 0 0 52 -3,-1.1 -1,-0.1 139,-0.4 233,-0.1 -0.972 60.5-144.7-117.4 112.6 24.0 0.1 -10.2 11 4 L R > > - 0 0 0 -2,-0.6 5,-1.9 1,-0.1 3,-1.2 -0.654 8.9-141.3 -84.6 131.6 20.3 0.6 -9.4 12 5 L P T 3 5S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.846 105.0 44.5 -58.5 -35.0 17.6 -0.7 -11.8 13 6 L L T 3 5S+ 0 0 30 132,-0.5 30,-0.1 29,-0.3 132,-0.0 0.498 129.8 20.7 -86.4 -9.2 15.4 2.4 -11.3 14 7 L F T X >S+ 0 0 12 -3,-1.2 5,-2.8 28,-0.1 3,-0.6 0.598 127.1 26.4-121.3 -83.0 18.4 4.9 -11.6 15 8 L E G > 5S+ 0 0 25 1,-0.2 3,-1.3 3,-0.2 -5,-0.1 0.873 121.4 54.1 -56.5 -41.9 21.8 4.1 -13.3 16 9 L K G 3 > S+ 0 0 40 1,-0.1 3,-1.1 2,-0.1 4,-0.7 0.428 86.7 102.5-108.0 -4.2 20.1 14.6 -3.9 24 14CL E H 3> S+ 0 0 2 1,-0.2 4,-1.8 -3,-0.2 3,-0.5 0.766 75.5 61.4 -44.4 -44.1 22.8 12.7 -5.8 25 14DL R H 3> S+ 0 0 48 -4,-0.3 4,-3.4 1,-0.2 -1,-0.2 0.820 94.3 62.7 -58.0 -38.7 24.4 15.9 -7.3 26 14EL E H <> S+ 0 0 50 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.895 107.1 44.9 -54.8 -43.5 25.2 17.1 -3.8 27 14FL L H X S+ 0 0 0 -4,-0.7 4,-0.5 -3,-0.5 140,-0.5 0.944 115.2 45.8 -65.3 -53.3 27.5 14.0 -3.4 28 14GL L H >< S+ 0 0 49 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.881 110.2 54.0 -60.7 -39.1 29.1 14.4 -6.9 29 14HL E H 3< S+ 0 0 153 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.807 101.3 59.7 -68.7 -24.7 29.7 18.2 -6.4 30 14IL S H 3< 0 0 27 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.670 360.0 360.0 -71.3 -18.7 31.5 17.4 -3.1 31 14JL Y << 0 0 59 -3,-1.4 -3,-0.1 -4,-0.5 -2,-0.1 0.502 360.0 360.0 -98.3 360.0 34.0 15.3 -5.3 32 !* 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 33 16 H I > 0 0 1 0, 0.0 3,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 109.7 17.9 9.7 10.6 34 17 H V B 3 +A 224 0A 12 190,-2.3 190,-1.6 1,-0.2 143,-0.1 -0.652 360.0 3.2 -84.9 139.5 17.9 13.2 12.1 35 18 H E T 3 S+ 0 0 131 141,-0.6 -1,-0.2 -2,-0.3 187,-0.1 0.797 102.4 127.5 55.7 37.8 17.4 16.1 9.7 36 19 H G < - 0 0 30 -3,-0.7 2,-0.3 140,-0.1 152,-0.2 -0.349 49.8-126.9-107.6-171.8 16.9 13.8 6.7 37 20 H S E -B 187 0B 59 150,-2.1 150,-2.3 -2,-0.1 2,-0.1 -0.862 35.4 -76.6-133.2 170.3 14.3 13.5 3.9 38 21 H D E -B 186 0B 104 -2,-0.3 2,-0.2 148,-0.2 148,-0.2 -0.364 46.6-122.7 -68.0 143.9 12.1 10.7 2.4 39 22 H A - 0 0 6 146,-2.7 2,-0.1 59,-0.1 -1,-0.1 -0.600 21.9-119.7 -83.0 150.7 13.8 8.3 0.1 40 23 H E > - 0 0 73 -2,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.508 48.3 -79.1 -80.2 159.2 12.5 7.8 -3.4 41 24 H I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.437 117.1 6.3 -62.9 129.9 11.3 4.3 -4.4 42 25 H G T 3 S+ 0 0 12 -2,-0.1 -29,-0.3 2,-0.1 -1,-0.3 0.663 86.8 128.6 69.4 24.0 14.4 2.1 -5.2 43 26 H M S < S+ 0 0 6 -3,-1.6 -2,-0.1 1,-0.3 -22,-0.1 0.802 84.3 24.7 -76.1 -31.2 16.9 4.7 -4.1 44 27 H S > + 0 0 12 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.587 67.9 169.1-130.2 70.0 18.8 2.2 -1.8 45 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.8 0, 0.0 51,-0.1 0.585 78.9 59.0 -63.6 -1.9 17.9 -1.3 -3.2 46 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.0 103,-0.1 104,-0.1 0.513 77.1 117.1 -99.2 -8.2 20.6 -2.7 -0.8 47 30 H Q E < -J 63 0C 4 -3,-2.3 49,-0.8 16,-0.2 2,-0.3 -0.369 46.7-168.4 -64.2 130.8 18.9 -1.4 2.4 48 31 H V E -JK 62 95C 0 14,-2.0 14,-1.0 47,-0.2 2,-0.5 -0.908 16.3-139.1-123.8 149.7 17.9 -4.2 4.6 49 32 H M E -JK 61 94C 0 45,-2.3 45,-2.4 -2,-0.3 2,-0.6 -0.961 8.1-148.9-110.9 124.3 15.7 -4.3 7.7 50 33 H L E -JK 60 93C 0 10,-3.1 9,-3.0 -2,-0.5 10,-1.2 -0.846 27.8-172.0 -86.3 113.8 16.7 -6.5 10.7 51 34 H F E -JK 58 92C 0 41,-2.7 41,-2.8 -2,-0.6 2,-0.3 -0.977 19.1-135.2-122.2 128.1 13.3 -7.5 12.2 52 35 H R E > -JK 57 91C 73 5,-2.8 5,-0.9 -2,-0.4 39,-0.2 -0.631 5.7-150.4 -80.2 137.2 12.7 -9.3 15.4 53 36 H K T 5S+ 0 0 47 37,-2.0 -1,-0.1 -2,-0.3 38,-0.1 0.966 80.5 51.7 -69.2 -58.3 10.1 -12.2 15.4 54 36AH S T 5S+ 0 0 102 36,-0.4 -1,-0.2 1,-0.3 2,-0.2 -0.932 121.9 18.8-133.4 113.2 8.8 -11.9 19.0 55 37 H P T 5S- 0 0 70 0, 0.0 2,-0.9 0, 0.0 -1,-0.3 0.612 102.1-123.3 -71.6 156.6 8.0 -9.1 19.8 56 38 H Q T 5 + 0 0 69 -2,-0.2 230,-0.3 -3,-0.1 2,-0.3 -0.623 59.9 133.5 -71.0 99.3 7.6 -7.9 16.2 57 39 H E E < -J 52 0C 73 -2,-0.9 -5,-2.8 -5,-0.9 2,-0.4 -0.973 62.2 -93.8-149.1 160.5 9.9 -4.9 16.1 58 40 H L E +J 51 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.688 37.2 174.4 -76.6 126.2 12.7 -3.1 14.1 59 41 H L E - 0 0 24 -9,-3.0 2,-0.3 -2,-0.4 169,-0.2 0.839 53.7 -43.5 -93.8 -53.9 16.1 -4.2 15.4 60 42 H b E -J 50 0C 3 -10,-1.2 -10,-3.1 169,-0.1 -1,-0.4 -0.961 52.7 -91.5-166.8 175.2 18.6 -2.5 12.9 61 43 H G E +J 49 0C 3 169,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.461 40.2 170.3 -96.4 169.8 19.6 -1.7 9.4 62 44 H A E -J 48 0C 0 -14,-1.0 -14,-2.0 -2,-0.2 2,-0.3 -0.910 23.2-120.1-167.4 177.3 21.8 -3.9 7.3 63 45 H S E -JL 47 71C 0 8,-1.9 8,-2.7 -2,-0.3 2,-0.5 -0.998 15.3-123.1-143.0 144.2 22.9 -4.1 3.6 64 46 H L E + L 0 70C 0 -18,-2.0 86,-1.9 -2,-0.3 6,-0.2 -0.787 30.4 170.4 -85.7 121.8 22.7 -6.7 0.7 65 47 H I - 0 0 11 4,-2.5 2,-0.2 -2,-0.5 5,-0.2 0.533 67.4 -15.8-110.0 -13.2 26.2 -7.5 -0.5 66 48 H S S S- 0 0 16 3,-1.0 -1,-0.4 -62,-0.1 3,-0.3 -0.876 90.0 -73.5-174.8 177.3 25.4 -10.5 -2.8 67 49 H D S S+ 0 0 73 -2,-0.2 74,-2.8 1,-0.2 72,-0.1 0.690 131.4 24.1 -62.9 -22.9 22.3 -12.8 -3.3 68 50 H R S S+ 0 0 57 72,-0.2 69,-3.1 70,-0.0 2,-0.4 0.436 109.0 82.3-121.8 -4.8 23.0 -14.8 -0.1 69 51 H W E - M 0 136C 5 -3,-0.3 -4,-2.5 67,-0.2 -3,-1.0 -0.907 46.9-174.1-118.1 137.5 25.1 -12.3 2.1 70 52 H V E -LM 64 135C 0 65,-2.1 65,-2.0 -2,-0.4 2,-0.4 -0.981 12.3-149.6-127.8 133.8 24.0 -9.4 4.4 71 53 H L E +LM 63 134C 0 -8,-2.7 -8,-1.9 -2,-0.4 2,-0.2 -0.858 29.9 146.7-104.1 134.1 26.4 -6.9 6.2 72 54 H T E - M 0 133C 0 61,-2.5 61,-1.8 -2,-0.4 2,-0.4 -0.736 50.3 -78.7-144.4-167.7 25.4 -5.3 9.5 73 55 H A > - 0 0 0 -12,-0.4 3,-0.9 59,-0.3 4,-0.3 -0.843 29.5-135.4-100.0 141.7 27.0 -4.1 12.8 74 56 H A G >> S+ 0 0 0 -2,-0.4 4,-3.1 1,-0.2 3,-1.9 0.853 103.3 68.1 -65.4 -33.0 27.9 -6.7 15.4 75 57 H H G 34 S+ 0 0 20 1,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.771 89.2 64.3 -59.9 -25.2 26.4 -4.4 18.1 76 58 H b G <4 S+ 0 0 1 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.709 119.2 23.6 -61.8 -32.1 22.9 -5.1 16.6 77 59 H L T <4 S+ 0 0 1 -3,-1.9 9,-2.4 -4,-0.3 2,-0.5 0.742 129.9 33.9-105.6 -44.3 23.3 -8.8 17.6 78 60 H L E < +P 85 0D 46 -4,-3.1 -1,-0.2 7,-0.2 7,-0.2 -0.945 55.3 137.2-130.6 113.1 25.8 -8.9 20.4 79 60AH Y E > > -P 84 0D 49 5,-2.7 3,-1.9 -2,-0.5 5,-1.8 -0.609 23.0-174.1-149.6 78.5 26.2 -6.2 23.1 80 60BH P G > 5S+ 0 0 49 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.784 78.9 66.4 -50.0 -34.4 26.6 -7.8 26.6 81 60CH P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.782 112.7 35.5 -60.0 -21.5 26.5 -4.5 28.6 82 60DH W G < 5S- 0 0 156 -3,-1.9 0, 0.0 2,-0.1 0, 0.0 0.181 117.7-109.3-113.0 15.9 22.8 -4.2 27.5 83 60EH D T < 5 + 0 0 152 -3,-1.9 2,-0.6 1,-0.2 -5,-0.0 0.744 65.2 153.1 62.2 28.3 21.9 -7.9 27.6 84 60FH K E < +P 79 0D 49 -5,-1.8 -5,-2.7 -9,-0.1 -1,-0.2 -0.837 4.5 144.9 -94.9 121.5 21.7 -8.1 23.8 85 60GH N E +P 78 0D 118 -2,-0.6 2,-0.4 -7,-0.2 -7,-0.2 -0.671 19.9 177.1-150.7 82.1 22.4 -11.6 22.4 86 60HH F - 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