==== 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-JUN-04 1TQ7 . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.O.PINEDA,Z.-W.CHEN,S.CACCIA,S.N.SAVVIDES,G.WAKSMAN,F.S.MAT . 296 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 60.8 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 25.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.8 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 2 0 0 3 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 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 1PA Y 0 0 78 0, 0.0 14,-0.1 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -46.3 21.0 55.9 -3.3 2 1OA Q - 0 0 84 13,-0.1 2,-0.2 2,-0.0 0, 0.0 0.455 360.0 -90.4 75.7 138.3 20.3 53.7 -6.4 3 1NA T + 0 0 111 1,-0.1 3,-0.1 12,-0.0 12,-0.0 -0.577 38.2 164.6 -95.0 144.6 18.4 50.4 -6.2 4 1MA F S S+ 0 0 76 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.670 71.6 65.7-109.8 -40.1 18.9 46.6 -5.7 5 1LA F S S- 0 0 5 6,-0.0 -1,-0.1 2,-0.0 286,-0.0 -0.821 79.7-120.4 -97.0 156.1 15.2 45.6 -5.0 6 1KA N >> - 0 0 83 -2,-0.3 4,-2.7 1,-0.2 3,-1.5 -0.792 23.6-137.1 -92.2 120.5 12.2 45.6 -7.1 7 1JA P H 3> S+ 0 0 87 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.702 101.6 57.3 -52.0 -50.3 9.6 48.0 -5.2 8 1IA R H 34 S+ 0 0 236 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.935 119.4 28.0 -74.5 -21.9 6.8 45.4 -5.9 9 1HA T H <4 S+ 0 0 23 -3,-1.5 -1,-0.2 2,-0.1 -4,-0.0 0.795 131.6 36.8 -89.4 -45.2 8.5 42.6 -4.2 10 1GA F H < S- 0 0 4 -4,-2.7 71,-0.5 1,-0.3 72,-0.3 0.617 99.0-136.7 -82.0 -30.4 10.5 44.5 -1.8 11 1FA G < - 0 0 3 -4,-1.8 3,-0.4 -5,-0.5 -1,-0.3 -0.556 45.0 -36.2 104.7-173.3 7.9 47.5 -0.8 12 1EA S S S+ 0 0 60 1,-0.2 68,-1.4 -2,-0.1 69,-0.2 -0.581 102.7 47.2 -73.0 157.0 8.8 50.8 -0.4 13 1DA G > + 0 0 11 66,-0.2 3,-1.4 -2,-0.1 4,-0.2 -0.390 47.6 126.9 93.3 -6.5 11.9 52.6 0.9 14 1CA E T 3 S+ 0 0 18 -3,-0.4 3,-0.4 1,-0.3 151,-0.1 0.893 98.5 40.1 -40.8 -16.7 15.0 51.0 -0.7 15 1BA A T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -14,-0.1 -13,-0.1 0.695 106.2 54.6-115.2 -9.4 15.1 54.9 -1.4 16 1AA D S < S+ 0 0 54 -3,-1.4 3,-0.4 147,-0.1 2,-0.3 -0.453 90.5 137.8-108.1 43.4 13.9 56.6 1.7 17 1 A a + 0 0 1 -3,-0.4 146,-0.2 -4,-0.2 147,-0.1 -0.639 55.8 3.9 -97.6 134.6 16.7 54.6 3.5 18 2 A G S S+ 0 0 0 144,-2.8 241,-1.7 -2,-0.3 2,-0.5 0.681 90.1 115.1 86.2 5.2 19.1 55.6 6.1 19 3 A L - 0 0 27 -3,-0.4 -1,-0.2 143,-0.4 239,-0.1 -0.927 57.1-143.3-122.8 105.7 18.0 59.2 6.7 20 4 A R > > - 0 0 0 -2,-0.5 5,-2.7 1,-0.1 3,-1.2 -0.482 4.2-146.8 -68.4 128.2 16.6 59.9 10.1 21 5 A P T 3 5S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.865 101.2 46.9 -63.2 -34.8 13.6 62.4 10.0 22 6 A L T 3 5S+ 0 0 33 136,-0.5 34,-0.1 33,-0.3 -2,-0.1 0.391 130.0 17.3 -87.2 2.6 14.7 63.8 13.4 23 7 A F T X >S+ 0 0 14 -3,-1.2 5,-3.5 32,-0.1 3,-0.8 0.403 130.3 25.2-133.7 -85.0 18.3 64.1 12.4 24 8 A E G > 5S+ 0 0 18 1,-0.2 3,-1.9 3,-0.2 5,-0.1 0.930 122.9 53.8 -55.2 -47.2 19.6 64.0 8.8 25 9 A K G 3 > S+ 0 0 33 2,-0.1 3,-1.8 1,-0.1 4,-0.7 0.413 88.9 107.2-124.5 -0.7 27.6 60.4 19.3 33 14CA E H >> S+ 0 0 20 -3,-0.4 3,-1.4 1,-0.3 4,-1.3 0.860 73.4 62.7 -42.4 -49.9 27.4 60.4 15.5 34 14DA R H 3> S+ 0 0 133 -4,-0.5 4,-3.4 1,-0.3 -1,-0.3 0.771 89.3 68.2 -52.5 -33.0 30.8 62.2 15.2 35 14EA E H <> S+ 0 0 45 -3,-1.8 4,-1.2 1,-0.2 -1,-0.3 0.905 102.5 46.5 -56.0 -40.4 32.6 59.3 16.9 36 14FA L H XX S+ 0 0 0 -3,-1.4 3,-0.6 -4,-0.7 4,-0.6 0.955 113.0 49.1 -65.7 -49.4 31.8 57.3 13.8 37 14GA L H >< S+ 0 0 78 -4,-1.3 3,-2.2 1,-0.3 4,-0.4 0.947 110.0 50.7 -53.4 -55.0 32.9 60.1 11.5 38 14HA E H >< S+ 0 0 113 -4,-3.4 3,-1.0 1,-0.3 -1,-0.3 0.741 98.9 65.7 -59.3 -24.2 36.2 60.6 13.4 39 14IA S H << S+ 0 0 17 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.704 94.2 61.3 -72.1 -15.2 36.9 56.9 13.2 40 14JA Y T << S+ 0 0 36 -3,-2.2 2,-1.1 -4,-0.6 -1,-0.3 0.652 87.1 77.8 -81.2 -17.3 37.2 57.4 9.4 41 14KA I S < S- 0 0 83 -3,-1.0 3,-0.3 -4,-0.4 -1,-0.1 -0.843 92.9-135.4 -91.4 98.6 40.1 59.8 10.0 42 14LA D - 0 0 135 -2,-1.1 2,-2.1 1,-0.2 -1,-0.1 0.523 56.4 -40.7 -37.3-159.7 42.8 57.2 10.7 43 14MA G 0 0 76 1,-0.1 -1,-0.2 -3,-0.1 -4,-0.1 -0.012 360.0 360.0 -65.4 40.7 45.2 57.7 13.6 44 15 A R 0 0 239 -2,-2.1 -1,-0.1 -3,-0.3 -2,-0.1 0.840 360.0 360.0 -49.5 360.0 45.6 61.5 13.0 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 B I 0 0 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 112.0 24.0 46.4 25.3 47 17 B V B +A 239 0A 17 192,-2.7 192,-1.4 1,-0.2 143,-0.1 -0.806 360.0 5.2-102.7 138.8 26.7 46.7 28.1 48 18 B E S S+ 0 0 127 141,-0.5 -1,-0.2 -2,-0.4 189,-0.1 0.828 102.0 121.5 61.6 35.3 28.4 50.0 28.8 49 19 B G - 0 0 31 -3,-0.4 2,-0.3 154,-0.1 154,-0.2 -0.286 55.1-117.2-110.0-162.3 26.3 51.9 26.4 50 20 B S E -B 202 0B 46 152,-2.5 152,-2.3 -2,-0.1 -3,-0.0 -0.960 33.6 -81.9-140.8 158.4 23.9 54.9 26.7 51 21 B D E -B 201 0B 83 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.136 49.5-113.8 -55.1 152.6 20.2 55.7 26.2 52 22 B A - 0 0 16 148,-2.0 148,-0.1 59,-0.1 -1,-0.1 -0.730 22.8-118.9 -95.2 140.3 19.1 56.3 22.7 53 23 B E > - 0 0 63 -2,-0.3 3,-2.0 1,-0.1 2,-0.4 -0.390 48.5 -83.9 -69.3 153.4 17.8 59.7 21.5 54 24 B I T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 57,-0.0 -0.456 115.7 4.0 -62.7 117.2 14.2 59.7 20.3 55 25 B G T 3 S+ 0 0 7 -2,-0.4 -33,-0.3 104,-0.1 -1,-0.3 0.597 88.7 122.1 85.0 11.6 14.4 58.7 16.7 56 26 B M S < S+ 0 0 2 -3,-2.0 -2,-0.1 1,-0.3 -36,-0.1 0.682 89.4 27.5 -79.9 -13.1 18.1 58.0 16.5 57 27 B S > + 0 0 11 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.444 69.2 161.9-143.6 62.8 17.4 54.5 15.4 58 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.1 0, 0.0 51,-0.2 0.572 75.3 62.4 -61.2 -10.8 13.9 54.6 13.6 59 29 B W T 3 S+ 0 0 3 101,-0.2 18,-1.9 103,-0.1 104,-0.2 0.382 74.7 125.7 -95.7 3.1 14.7 51.2 12.0 60 30 B Q E < -J 76 0C 9 -3,-2.3 49,-1.0 16,-0.2 2,-0.4 -0.412 39.9-172.8 -64.6 130.5 14.9 49.5 15.4 61 31 B V E -JK 75 108C 0 14,-2.5 14,-1.1 47,-0.2 2,-0.5 -0.981 15.7-144.1-129.5 142.8 12.5 46.5 15.6 62 32 B M E -JK 74 107C 4 45,-2.4 45,-1.6 -2,-0.4 2,-0.8 -0.922 9.9-144.2-110.3 123.1 11.6 44.3 18.5 63 33 B L E -JK 73 106C 0 10,-2.5 9,-3.1 -2,-0.5 10,-1.2 -0.751 26.9-172.2 -86.7 110.4 11.0 40.6 18.0 64 34 B F E -JK 71 105C 11 41,-2.5 41,-2.2 -2,-0.8 2,-0.5 -0.766 22.5-137.8-107.4 151.4 8.2 39.6 20.4 65 35 B R E > -JK 70 104C 78 5,-2.5 5,-1.5 -2,-0.3 39,-0.2 -0.898 15.8-147.3-103.1 131.4 6.8 36.2 21.3 66 36 B K T 5S+ 0 0 85 37,-2.6 -1,-0.2 -2,-0.5 38,-0.1 0.986 74.5 51.7 -64.4 -64.9 3.0 36.2 21.5 67 36AB S T 5S+ 0 0 107 36,-0.4 -1,-0.2 1,-0.3 2,-0.1 -0.939 121.4 21.3-129.6 114.4 2.2 33.7 24.2 68 37 B P T 5S- 0 0 79 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.499 106.4-119.2 -77.7 151.9 3.6 34.1 26.6 69 38 B Q T 5 + 0 0 104 -2,-0.1 2,-0.3 -5,-0.1 -3,-0.2 -0.336 54.5 155.2 -51.5 126.8 4.3 37.8 25.8 70 39 B E E < -J 65 0C 78 -5,-1.5 -5,-2.5 -3,-0.0 2,-0.4 -0.866 47.8-122.9-167.8 126.3 8.1 37.9 25.8 71 40 B L E +J 64 0C 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.580 35.7 169.9 -71.7 123.4 10.8 40.0 24.2 72 41 B L E - 0 0 21 -9,-3.1 2,-0.3 -2,-0.4 -8,-0.2 0.869 47.7 -27.4-102.5 -52.6 13.0 37.7 22.2 73 42 B b E -J 63 0C 7 -10,-1.2 -10,-2.5 171,-0.1 -1,-0.3 -0.915 57.7 -94.3-155.8 178.8 15.5 39.6 20.0 74 43 B G E +J 62 0C 7 171,-3.2 12,-0.5 -2,-0.3 2,-0.3 -0.444 39.1 173.4 -95.2 176.0 16.3 42.7 18.1 75 44 B A E -J 61 0C 0 -14,-1.1 -14,-2.5 -2,-0.2 2,-0.3 -0.955 20.2-125.4-171.3 169.4 15.6 43.2 14.4 76 45 B S E -JL 60 84C 0 8,-2.6 8,-2.9 -2,-0.3 2,-0.6 -0.975 12.3-128.4-135.9 149.3 15.8 45.9 11.8 77 46 B L E + L 0 83C 0 -18,-1.9 86,-3.0 -2,-0.3 6,-0.2 -0.828 31.4 162.1 -95.1 118.6 13.4 47.5 9.2 78 47 B I S S+ 0 0 3 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.427 71.1 7.3-113.7 -4.7 14.9 47.6 5.7 79 48 B S S S- 0 0 0 3,-1.1 -66,-0.2 -66,-0.1 -68,-0.1 -0.898 85.8 -92.6-159.3 179.8 11.7 48.1 3.9 80 49 B D S S+ 0 0 10 -68,-1.4 74,-2.2 -2,-0.3 -69,-0.1 0.603 127.3 21.9 -80.6 -10.1 8.0 48.9 4.6 81 50 B R S S+ 0 0 71 -71,-0.5 69,-3.4 72,-0.2 2,-0.4 0.537 111.1 76.6-128.8 -19.3 7.4 45.1 4.6 82 51 B W E - M 0 149C 0 -72,-0.3 -4,-2.0 67,-0.2 -3,-1.1 -0.852 50.5-172.5-109.1 138.2 10.7 43.4 5.3 83 52 B V E -LM 77 148C 0 65,-2.6 65,-2.3 -2,-0.4 2,-0.3 -0.977 12.2-146.2-126.9 136.2 12.6 43.0 8.6 84 53 B L E +LM 76 147C 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.3 -0.730 30.4 145.6-100.4 147.5 16.0 41.6 9.1 85 54 B T E - 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0 0 28 -9,-1.6 2,-0.2 -10,-0.1 -2,-0.0 -0.120 10.6-152.1 -63.0 156.4 9.1 29.6 15.9 100 60IB T >> - 0 0 56 28,-0.0 3,-2.0 1,-0.0 4,-0.9 -0.729 37.2 -83.0-122.7 171.4 6.6 30.0 13.1 101 61 B E G >4 S+ 0 0 30 1,-0.3 3,-0.6 -2,-0.2 25,-0.5 0.861 125.2 37.5 -41.0 -56.5 4.8 32.9 11.4 102 62 B N G 34 S+ 0 0 111 1,-0.2 -1,-0.3 25,-0.1 25,-0.0 0.217 99.8 74.2 -90.7 17.9 2.0 33.3 14.0 103 63 B D G <4 S+ 0 0 67 -3,-2.0 -37,-2.6 -37,-0.1 -36,-0.4 0.707 101.2 49.0 -91.5 -26.6 4.0 32.5 17.1 104 64 B L E << -K 65 0C 0 -4,-0.9 22,-0.6 -3,-0.6 2,-0.3 -0.666 57.5-173.6-116.0 165.4 5.5 35.9 16.9 105 65 B L E -KN 64 125C 20 -41,-2.2 -41,-2.5 -2,-0.2 2,-0.3 -0.910 16.9-138.0-145.3 169.2 4.7 39.5 16.5 106 66 B V E -KN 63 124C 0 18,-2.2 18,-1.8 -2,-0.3 2,-0.4 -0.927 3.4-151.2-135.0 155.3 6.9 42.6 16.0 107 67 B R E -KN 62 123C 32 -45,-1.6 -45,-2.4 -2,-0.3 2,-0.4 -0.996 12.4-167.7-132.3 134.8 6.9 46.2 17.3 108 68 B I E +KN 61 122C 0 14,-2.5 14,-2.5 -2,-0.4 -47,-0.2 -0.915 64.7 13.2-125.1 146.5 8.3 49.2 15.5 109 69 B G S S+ 0 0 6 -49,-1.0 2,-0.4 -2,-0.4 -1,-0.2 0.729 79.3 156.9 67.0 22.8 9.1 52.8 16.5 110 70 B K - 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