==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-FEB-10 3LU9 . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.S.GANDHI,Z.CHEN,E.DI CERA . 641 8 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 40 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 10 0 9 5 4 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 . 2 0 0 0 0 2 0 0 2 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 1RA S 0 0 129 0, 0.0 2,-3.5 0, 0.0 255,-0.0 0.000 360.0 360.0 360.0 78.1 10.9 17.1 -11.6 2 1QA E + 0 0 133 254,-0.2 2,-0.3 2,-0.0 256,-0.1 -0.151 360.0 94.4 -72.9 62.1 13.7 14.9 -10.4 3 1PA Y - 0 0 35 -2,-3.5 2,-0.6 14,-0.1 16,-0.0 -0.999 60.0-147.2-160.0 130.7 12.3 11.7 -11.9 4 1OA Q - 0 0 186 -2,-0.3 -2,-0.0 12,-0.0 13,-0.0 -0.950 32.7-125.0-106.2 118.5 12.5 9.5 -14.9 5 1NA T - 0 0 74 -2,-0.6 12,-0.0 1,-0.1 3,-0.0 -0.300 20.8-169.8 -61.4 145.4 9.2 7.8 -15.9 6 1MA F + 0 0 91 159,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.733 62.3 60.0-105.2 -35.7 9.3 4.0 -16.2 7 1LA F S S- 0 0 11 6,-0.1 3,-0.0 1,-0.0 9,-0.0 -0.508 87.5-102.0-101.0 163.5 6.0 3.2 -17.7 8 1KA N >> - 0 0 60 -2,-0.2 4,-3.7 1,-0.1 3,-1.1 -0.757 21.2-147.7 -85.3 117.9 4.3 4.2 -21.0 9 1JA P H 3> S+ 0 0 79 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.820 96.7 66.4 -56.8 -29.8 1.7 6.9 -20.4 10 1IA R H 34 S+ 0 0 185 2,-0.2 4,-0.1 1,-0.2 -2,-0.0 0.906 120.9 18.0 -54.3 -43.8 -0.4 5.4 -23.2 11 1HA T H <4 S+ 0 0 2 -3,-1.1 -1,-0.2 2,-0.1 285,-0.0 0.792 131.9 46.1 -98.2 -34.1 -1.0 2.2 -21.1 12 1GA F H < S- 0 0 4 -4,-3.7 69,-0.6 1,-0.2 70,-0.2 0.767 101.3-141.9 -75.2 -29.1 -0.1 3.5 -17.6 13 1FA G < - 0 0 4 -4,-1.9 3,-0.4 -5,-0.5 -1,-0.2 -0.390 37.0 -40.2 85.7-174.2 -2.2 6.7 -18.1 14 1EA S S S+ 0 0 65 1,-0.2 66,-2.1 -2,-0.1 67,-0.2 -0.427 100.8 61.5 -84.4 159.2 -1.2 10.1 -16.7 15 1DA G + 0 0 18 64,-0.2 3,-0.3 -2,-0.1 -1,-0.2 0.204 63.9 103.1 120.4 -12.3 0.5 11.0 -13.4 16 1CA E S > S+ 0 0 12 -3,-0.4 3,-2.1 1,-0.2 -2,-0.1 0.925 75.2 60.1 -68.7 -42.1 3.8 9.3 -13.3 17 1BA A T 3 S+ 0 0 57 1,-0.3 -1,-0.2 -12,-0.0 -14,-0.1 0.831 116.0 34.9 -53.3 -36.3 6.0 12.3 -14.1 18 1AA D T > S+ 0 0 54 -3,-0.3 3,-1.1 145,-0.0 -1,-0.3 0.154 90.6 142.6-106.3 17.4 4.7 14.1 -10.9 19 1 A a T < + 0 0 0 -3,-2.1 144,-0.2 1,-0.2 145,-0.1 -0.132 59.5 20.0 -58.6 150.8 4.3 11.0 -8.8 20 2 A G T 3 S+ 0 0 0 142,-2.4 239,-1.8 238,-0.2 2,-0.5 0.533 89.5 112.9 75.2 8.7 5.1 11.0 -5.0 21 3 A L < - 0 0 22 -3,-1.1 -1,-0.1 141,-0.3 237,-0.1 -0.964 60.1-142.0-116.0 114.6 4.8 14.8 -4.5 22 4 A R > > - 0 0 0 -2,-0.5 5,-2.4 1,-0.1 3,-1.4 -0.597 6.2-141.1 -84.9 132.6 1.8 15.7 -2.3 23 5 A P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.843 103.8 44.1 -57.8 -32.7 -0.1 18.9 -3.2 24 6 A L T 3 5S+ 0 0 28 134,-0.4 32,-0.1 31,-0.3 134,-0.0 0.505 130.1 18.7 -93.8 0.3 -0.5 19.8 0.5 25 7 A F T X>>S+ 0 0 15 -3,-1.4 5,-2.6 30,-0.1 3,-1.5 0.474 127.5 26.1-130.3 -88.9 3.1 19.1 1.5 26 8 A E G >45S+ 0 0 29 1,-0.3 3,-1.1 3,-0.2 5,-0.1 0.849 118.6 58.1 -53.3 -39.3 6.0 18.8 -1.0 27 9 A K G 34> S+ 0 0 36 2,-0.1 3,-1.1 1,-0.1 4,-0.8 0.408 87.0 100.2-128.6 2.7 6.3 12.6 11.3 35 14CA E H >> S+ 0 0 1 -3,-0.4 4,-1.9 1,-0.3 3,-0.6 0.823 77.3 67.3 -62.7 -28.0 8.2 12.6 8.1 36 14DA R H 3> S+ 0 0 52 -4,-0.5 4,-2.7 1,-0.2 -1,-0.3 0.856 93.0 60.1 -55.8 -37.2 11.3 13.9 9.9 37 14EA E H <> S+ 0 0 51 -3,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.865 105.0 48.8 -60.1 -36.7 11.4 10.5 11.7 38 14FA L H XX S+ 0 0 0 -4,-0.8 4,-0.5 -3,-0.6 3,-0.5 0.960 111.5 47.7 -67.1 -49.4 11.8 8.8 8.3 39 14GA L H >X S+ 0 0 56 -4,-1.9 3,-1.1 1,-0.3 4,-0.5 0.884 110.9 52.6 -62.0 -36.8 14.6 11.1 7.2 40 14HA E H >X S+ 0 0 51 -4,-2.7 4,-1.5 1,-0.2 3,-1.1 0.813 94.9 68.5 -64.9 -32.8 16.4 10.6 10.5 41 14IA S H << S+ 0 0 8 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.693 95.1 58.7 -62.7 -18.3 16.3 6.9 10.2 42 14JA Y H << S+ 0 0 40 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.800 111.8 39.5 -77.2 -29.7 18.7 7.3 7.3 43 14KA I H << 0 0 139 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.977 360.0 360.0 -82.7 -71.1 21.3 9.0 9.6 44 14LA D < 0 0 135 -4,-1.5 -1,-0.1 134,-0.0 -3,-0.1 0.621 360.0 360.0 -16.4 360.0 21.2 7.2 12.9 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 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 129.0 -2.9 0.2 12.3 47 17 B V B +A 239 0A 2 192,-3.2 192,-1.5 1,-0.2 143,-0.1 -0.848 360.0 2.2-102.6 134.0 -1.8 -0.4 15.9 48 18 B E S S+ 0 0 109 141,-0.5 -1,-0.2 -2,-0.4 189,-0.2 0.793 102.0 123.6 64.1 29.9 -0.0 2.3 17.9 49 19 B G - 0 0 28 -3,-0.4 2,-0.3 154,-0.1 154,-0.2 -0.216 52.2-128.3 -97.7-166.1 -0.4 4.8 15.0 50 20 B S E -B 202 0B 59 152,-2.2 152,-2.6 -2,-0.1 2,-0.1 -0.899 35.7 -71.3-139.7 172.4 -2.0 8.3 14.9 51 21 B D E -B 201 0B 99 -2,-0.3 150,-0.2 150,-0.2 149,-0.1 -0.424 51.3-120.4 -63.5 133.4 -4.5 10.1 12.8 52 22 B A - 0 0 7 148,-2.9 2,-0.2 -2,-0.1 -1,-0.1 -0.393 25.2-117.7 -64.9 150.2 -3.3 11.0 9.4 53 23 B E > - 0 0 40 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.559 46.6 -80.7 -81.7 159.5 -3.2 14.7 8.5 54 24 B I T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.401 117.0 6.8 -62.2 134.0 -5.4 15.8 5.6 55 25 B G T 3 S+ 0 0 12 2,-0.1 -31,-0.3 104,-0.1 -1,-0.3 0.579 91.6 124.9 68.8 9.6 -3.7 15.0 2.2 56 26 B M S < S+ 0 0 6 -3,-1.9 -2,-0.1 1,-0.3 3,-0.1 0.801 84.9 21.6 -70.0 -33.0 -0.8 13.2 4.0 57 27 B S S > S+ 0 0 12 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.584 70.5 165.3-132.1 70.3 -1.4 10.0 1.9 58 28 B P T 3 S+ 0 0 4 0, 0.0 103,-1.3 0, 0.0 51,-0.2 0.611 75.5 61.7 -74.6 -5.1 -3.2 11.1 -1.2 59 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.5 103,-0.1 2,-0.2 0.459 76.5 121.4 -88.4 -5.4 -2.5 7.8 -2.9 60 30 B Q E < -K 76 0C 2 -3,-2.3 49,-1.0 16,-0.2 50,-0.4 -0.389 43.5-170.7 -63.3 126.5 -4.4 5.9 -0.2 61 31 B V E -KL 75 108C 0 14,-2.6 14,-1.2 -2,-0.2 2,-0.5 -0.949 14.2-146.7-121.1 143.2 -7.3 3.9 -1.7 62 32 B M E -KL 74 107C 0 45,-2.7 45,-2.7 -2,-0.4 2,-0.5 -0.940 8.9-147.6-106.8 122.4 -10.1 2.1 0.1 63 33 B L E -KL 73 106C 0 10,-2.7 9,-2.9 -2,-0.5 10,-1.2 -0.837 28.0-168.7 -86.8 127.2 -11.4 -1.1 -1.4 64 34 B F E -KL 71 105C 0 41,-2.4 41,-2.0 -2,-0.5 2,-0.5 -0.953 24.4-137.9-130.1 136.4 -15.2 -1.2 -0.5 65 35 B R E > -K 70 0C 61 5,-3.4 5,-1.8 -2,-0.4 39,-0.1 -0.835 13.9-153.9 -91.0 123.2 -18.0 -3.8 -0.7 66 36 B K T 5S+ 0 0 84 -2,-0.5 3,-0.5 37,-0.4 -1,-0.1 0.895 72.2 51.0 -62.4 -46.0 -21.3 -2.3 -2.0 67 36AB S T 5S+ 0 0 104 1,-0.5 -1,-0.3 2,-0.1 2,-0.1 -0.920 120.3 16.5-157.9 120.7 -23.6 -4.7 -0.3 68 37 B P T 5S- 0 0 71 0, 0.0 -1,-0.5 0, 0.0 -3,-0.1 0.494 111.2-119.0 -74.9 140.8 -23.6 -5.5 2.4 69 38 B Q T 5 + 0 0 40 -3,-0.5 2,-0.3 247,-0.1 -3,-0.2 -0.185 50.1 153.3 -63.3 131.1 -21.5 -2.4 2.8 70 39 B E E < -K 65 0C 25 -5,-1.8 -5,-3.4 240,-0.0 2,-0.5 -0.976 49.3-120.6-156.3 134.2 -18.0 -3.1 4.1 71 40 B L E +K 64 0C 2 240,-0.6 240,-0.3 -2,-0.3 -7,-0.2 -0.698 35.2 179.4 -69.3 126.4 -14.5 -1.8 4.1 72 41 B L E - 0 0 0 -9,-2.9 2,-0.3 -2,-0.5 -8,-0.2 0.849 48.4 -39.7 -95.7 -45.6 -12.5 -4.7 2.5 73 42 B b E -K 63 0C 1 -10,-1.2 -10,-2.7 171,-0.1 -1,-0.4 -0.946 56.0 -93.7-170.0 170.4 -8.8 -3.6 2.3 74 43 B G E +K 62 0C 3 171,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.427 38.4 171.7 -92.1 176.9 -6.5 -0.8 1.5 75 44 B A E -K 61 0C 0 -14,-1.2 -14,-2.6 -2,-0.2 2,-0.4 -0.938 22.8-117.7-172.2 176.1 -4.9 -0.1 -1.9 76 45 B S E -KM 60 84C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.5 -0.997 12.9-127.6-141.2 141.3 -2.8 2.5 -3.6 77 46 B L E + M 0 83C 0 -18,-2.5 86,-2.1 -2,-0.4 6,-0.2 -0.736 28.5 168.7 -83.6 120.6 -3.2 4.9 -6.5 78 47 B I - 0 0 1 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.572 67.7 -10.7-112.1 -10.7 -0.2 4.6 -8.9 79 48 B S S S- 0 0 0 3,-1.1 -64,-0.2 85,-0.1 -1,-0.2 -0.888 89.6 -75.5-159.7-168.4 -1.6 6.6 -11.9 80 49 B D S S+ 0 0 17 -66,-2.1 74,-2.8 -2,-0.3 -67,-0.1 0.630 130.1 22.4 -72.0 -9.6 -4.9 8.0 -13.1 81 50 B R S S+ 0 0 58 -69,-0.6 69,-2.6 72,-0.2 2,-0.4 0.441 107.4 77.3-139.0 -3.8 -6.1 4.5 -14.0 82 51 B W E - N 0 149C 0 -70,-0.2 -4,-2.4 67,-0.2 -3,-1.1 -0.956 47.7-174.8-121.1 133.4 -4.2 1.9 -12.1 83 52 B V E -MN 77 148C 0 65,-2.2 65,-2.8 -2,-0.4 2,-0.3 -0.983 13.1-148.9-124.2 135.3 -4.6 0.8 -8.4 84 53 B L E +MN 76 147C 0 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.3 -0.815 27.2 153.2-104.7 142.5 -2.3 -1.6 -6.6 85 54 B T E - 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