==== 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 17-NOV-07 3BEF . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.S.GANDHI,A.BAH,Z.CHEN,F.S.MATHEWS,E.DI CERA . 604 8 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 24.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 0.7 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 . 1 0.2 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 . 43 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 0 2 3 2 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 . 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 7 3 5 6 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 . 1 0 0 0 0 2 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 1RA S 0 0 75 0, 0.0 2,-0.3 0, 0.0 255,-0.1 0.000 360.0 360.0 360.0 111.2 12.5 16.4 -7.9 2 1QA E + 0 0 84 253,-0.3 2,-0.3 2,-0.0 253,-0.0 -0.497 360.0 163.7 -67.8 127.5 14.5 14.6 -10.6 3 1PA Y - 0 0 44 -2,-0.3 2,-0.5 2,-0.0 14,-0.0 -0.975 29.7-153.7-153.3 136.6 12.5 11.6 -11.8 4 1OA Q - 0 0 172 -2,-0.3 -2,-0.0 12,-0.0 0, 0.0 -0.942 25.8-127.7-111.4 121.3 12.6 9.3 -14.8 5 1NA T - 0 0 66 -2,-0.5 3,-0.0 1,-0.1 12,-0.0 -0.298 22.0-174.6 -64.4 151.8 9.3 7.7 -15.8 6 1MA F + 0 0 91 159,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.688 57.7 67.3-117.4 -36.1 9.4 3.9 -16.2 7 1LA F S S- 0 0 8 1,-0.1 284,-0.0 6,-0.1 9,-0.0 -0.480 89.4-101.4 -90.3 160.2 6.0 2.9 -17.6 8 1KA N >> - 0 0 67 1,-0.2 4,-3.6 -2,-0.2 3,-1.0 -0.707 24.3-147.7 -80.4 114.3 4.5 3.7 -21.0 9 1JA P H 3> S+ 0 0 83 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.748 95.8 67.4 -53.1 -24.6 2.1 6.6 -20.4 10 1IA R H 34 S+ 0 0 179 2,-0.1 4,-0.1 1,-0.1 -3,-0.0 0.938 119.6 16.0 -62.2 -48.8 0.0 5.0 -23.2 11 1HA T H <4 S+ 0 0 1 -3,-1.0 -1,-0.1 2,-0.1 3,-0.1 0.842 128.9 51.6 -93.3 -40.9 -0.9 2.0 -21.1 12 1GA F H < S- 0 0 3 -4,-3.6 69,-0.6 1,-0.2 70,-0.3 0.863 101.1-138.8 -65.3 -37.8 0.1 3.2 -17.6 13 1FA G < - 0 0 4 -4,-1.2 3,-0.4 -5,-0.5 -1,-0.2 -0.488 35.1 -44.2 101.6-177.1 -2.0 6.4 -17.9 14 1EA S S S+ 0 0 72 1,-0.2 66,-1.4 -2,-0.2 67,-0.2 -0.480 100.9 60.0 -90.1 160.6 -1.0 9.9 -16.8 15 1DA G > + 0 0 19 64,-0.2 3,-0.6 -2,-0.1 -1,-0.2 0.089 63.9 103.6 119.4 -25.0 0.6 10.8 -13.5 16 1CA E G > S+ 0 0 12 -3,-0.4 3,-1.9 1,-0.2 -2,-0.1 0.877 75.8 60.6 -60.6 -41.0 3.9 9.0 -13.2 17 1BA A G 3 S+ 0 0 64 1,-0.3 -1,-0.2 -12,-0.0 -3,-0.0 0.844 114.5 36.2 -56.5 -34.6 6.1 12.0 -14.0 18 1AA D G X S+ 0 0 64 -3,-0.6 3,-0.9 145,-0.0 -1,-0.3 0.099 91.2 141.4-106.4 22.1 4.8 13.9 -11.0 19 1 A a T < + 0 0 0 -3,-1.9 144,-0.2 1,-0.2 -3,-0.1 -0.188 58.3 20.9 -65.2 154.3 4.4 10.9 -8.7 20 2 A G T 3 S+ 0 0 0 142,-2.1 239,-1.4 238,-0.2 2,-0.6 0.469 90.2 111.8 69.8 4.2 5.2 10.9 -4.9 21 3 A L < - 0 0 19 -3,-0.9 -1,-0.1 141,-0.3 237,-0.1 -0.934 60.3-144.0-112.2 110.1 4.9 14.7 -4.5 22 4 A R > > - 0 0 0 -2,-0.6 5,-2.1 1,-0.1 3,-1.6 -0.549 7.9-139.0 -78.7 131.5 1.9 15.6 -2.4 23 5 A P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.868 104.2 44.0 -54.2 -40.4 -0.1 18.8 -3.2 24 6 A L T 3 5S+ 0 0 32 134,-0.5 32,-0.1 31,-0.3 134,-0.0 0.417 130.0 18.4 -89.5 4.7 -0.5 19.8 0.4 25 7 A F T X >S+ 0 0 14 -3,-1.6 5,-3.3 30,-0.1 3,-0.8 0.447 126.6 26.6-133.7 -82.4 3.1 19.0 1.4 26 8 A E G > 5S+ 0 0 24 1,-0.2 3,-1.7 3,-0.2 -5,-0.1 0.927 119.8 56.4 -56.9 -45.5 6.0 18.6 -1.0 27 9 A K G 3 > S+ 0 0 36 2,-0.1 3,-1.2 1,-0.1 4,-0.7 0.451 86.7 98.2-129.3 5.0 6.1 12.5 11.3 35 14CA E H >> S+ 0 0 1 -3,-0.4 4,-2.0 1,-0.3 3,-0.6 0.797 78.2 68.7 -64.0 -25.5 8.1 12.4 8.1 36 14DA R H 3> S+ 0 0 75 -4,-0.4 4,-2.4 1,-0.3 -1,-0.3 0.856 93.3 59.3 -59.1 -34.1 11.1 13.7 9.9 37 14EA E H <> S+ 0 0 52 -3,-1.2 4,-1.3 2,-0.2 -1,-0.3 0.852 104.8 49.1 -63.2 -35.7 11.2 10.4 11.8 38 14FA L H << S+ 0 0 0 -4,-0.7 142,-0.5 -3,-0.6 4,-0.5 0.950 111.5 47.7 -69.4 -48.9 11.7 8.6 8.4 39 14GA L H >< S+ 0 0 48 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.874 110.3 52.3 -60.3 -39.5 14.5 10.9 7.3 40 14HA E H >X S+ 0 0 52 -4,-2.4 4,-3.2 1,-0.3 3,-2.3 0.842 96.9 67.0 -65.7 -33.8 16.3 10.6 10.6 41 14IA S T 3< S+ 0 0 3 -4,-1.3 -1,-0.3 3,-0.3 -2,-0.2 0.699 91.5 63.7 -61.8 -16.5 16.1 6.8 10.3 42 14JA Y T <4 S+ 0 0 6 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.689 117.0 27.4 -78.4 -16.8 18.5 7.2 7.4 43 14KA I T <4 0 0 109 -3,-2.3 -2,-0.2 -4,-0.3 258,-0.2 0.621 360.0 360.0-112.5 -27.0 21.1 8.6 9.8 44 14LA D < 0 0 94 -4,-3.2 -3,-0.3 -5,-0.1 -4,-0.1 0.512 360.0 360.0-134.0 360.0 20.0 6.8 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 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.2 -3.1 0.3 12.3 47 17 B V B -A 239 0A 2 192,-3.3 192,-1.3 1,-0.2 143,-0.1 -0.831 360.0 -2.3-101.3 133.1 -1.9 -0.4 15.8 48 18 B E S S+ 0 0 104 141,-0.5 -1,-0.2 -2,-0.4 189,-0.2 0.817 103.7 117.6 61.5 33.3 -0.2 2.2 17.9 49 19 B G - 0 0 29 -3,-0.4 2,-0.3 154,-0.1 154,-0.2 -0.124 54.7-125.0-107.0-152.5 -0.3 4.8 15.2 50 20 B S E -B 202 0B 57 152,-2.0 152,-2.5 -2,-0.1 2,-0.2 -0.934 35.7 -65.9-152.0 173.2 -2.1 8.1 15.0 51 21 B D E -B 201 0B 96 -2,-0.3 150,-0.2 150,-0.2 149,-0.1 -0.464 51.9-127.4 -67.4 128.8 -4.5 10.1 12.9 52 22 B A - 0 0 5 148,-2.9 2,-0.2 -2,-0.2 -1,-0.1 -0.315 24.5-114.7 -69.3 160.4 -3.1 11.0 9.4 53 23 B E > - 0 0 40 1,-0.1 3,-1.8 148,-0.0 4,-0.4 -0.539 43.2 -80.8 -91.9 164.2 -3.2 14.6 8.4 54 24 B I T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.466 117.4 5.9 -67.2 131.2 -5.3 15.8 5.5 55 25 B G T 3 S+ 0 0 11 -2,-0.2 -31,-0.3 104,-0.1 -1,-0.3 0.559 93.6 123.8 73.5 7.6 -3.6 15.0 2.2 56 26 B M S < S+ 0 0 5 -3,-1.8 -2,-0.1 1,-0.3 -34,-0.1 0.851 85.0 20.9 -68.2 -35.3 -0.9 13.2 4.0 57 27 B S S > S+ 0 0 12 -4,-0.4 3,-1.9 1,-0.1 -1,-0.3 -0.555 70.1 164.9-134.1 68.9 -1.4 10.0 2.0 58 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.531 75.3 60.2 -65.0 -7.1 -3.2 11.0 -1.2 59 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.8 103,-0.1 2,-0.2 0.489 76.7 119.8 -96.8 -4.7 -2.4 7.7 -2.9 60 30 B Q E < -J 76 0C 1 -3,-1.9 49,-1.0 16,-0.2 50,-0.4 -0.422 45.1-168.5 -64.3 126.2 -4.3 5.7 -0.2 61 31 B V E -JK 75 108C 0 14,-2.9 14,-1.4 -2,-0.2 2,-0.5 -0.919 13.5-144.3-120.2 144.1 -7.2 3.7 -1.7 62 32 B M E -JK 74 107C 0 45,-2.2 45,-2.2 -2,-0.4 2,-0.6 -0.924 9.7-145.5-108.6 125.2 -10.0 1.9 0.2 63 33 B L E -JK 73 106C 0 10,-3.3 9,-2.4 -2,-0.5 10,-1.3 -0.813 28.7-171.5 -88.5 126.1 -11.3 -1.4 -1.2 64 34 B F E -JK 71 105C 27 41,-2.9 41,-1.6 -2,-0.6 2,-0.5 -0.946 24.1-139.2-128.2 143.1 -15.0 -1.4 -0.5 65 35 B R E > -JK 70 104C 62 5,-3.1 5,-1.5 -2,-0.4 39,-0.2 -0.874 13.3-149.3 -99.5 123.1 -17.8 -4.0 -0.8 66 36 B K T > 5S+ 0 0 88 37,-1.3 3,-0.6 -2,-0.5 -1,-0.2 0.960 74.6 47.1 -54.0 -61.6 -21.1 -2.6 -2.1 67 36AB S T 3 5S+ 0 0 97 1,-0.5 -1,-0.2 36,-0.3 2,-0.1 -0.958 122.4 19.3-146.0 124.5 -23.5 -4.9 -0.3 68 37 B P T 3 5S- 0 0 77 0, 0.0 -1,-0.5 0, 0.0 -3,-0.1 0.340 109.7-126.3 -71.0 126.7 -23.4 -5.6 2.5 69 38 B Q T < 5 + 0 0 150 -3,-0.6 2,-0.3 -2,-0.1 -3,-0.2 -0.108 47.1 156.7 -44.9 131.2 -21.3 -2.4 2.4 70 39 B E E < -J 65 0C 98 -5,-1.5 -5,-3.1 -3,-0.0 2,-0.7 -0.962 49.6-114.5-164.0 139.5 -18.0 -3.2 4.1 71 40 B L E +J 64 0C 30 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.702 37.0 175.7 -76.8 115.5 -14.4 -2.0 4.2 72 41 B L E - 0 0 23 -9,-2.4 2,-0.3 -2,-0.7 171,-0.2 0.866 48.3 -42.9 -91.3 -41.9 -12.5 -4.9 2.6 73 42 B b E -J 63 0C 9 -10,-1.3 -10,-3.3 171,-0.1 -1,-0.3 -0.976 53.1 -87.4-171.4-178.2 -8.9 -3.7 2.4 74 43 B G E +J 62 0C 1 171,-3.7 12,-0.5 -2,-0.3 2,-0.3 -0.562 38.7 167.5-103.0 168.9 -6.3 -1.0 1.6 75 44 B A E -J 61 0C 0 -14,-1.4 -14,-2.9 -2,-0.2 2,-0.4 -0.950 25.0-118.5-167.6 174.5 -4.8 -0.3 -1.7 76 45 B S E -JL 60 84C 0 8,-3.0 8,-3.4 -2,-0.3 2,-0.7 -0.993 12.8-130.0-136.7 143.1 -2.7 2.4 -3.5 77 46 B L E + L 0 83C 0 -18,-2.8 86,-2.4 -2,-0.4 6,-0.2 -0.771 28.4 168.2 -88.9 114.3 -3.1 4.7 -6.5 78 47 B I - 0 0 1 4,-1.9 2,-0.3 -2,-0.7 5,-0.2 0.539 68.9 -9.3-103.8 -9.5 -0.1 4.4 -8.8 79 48 B S S S- 0 0 0 3,-1.1 -64,-0.2 -64,-0.1 -1,-0.1 -0.892 84.8 -84.0-164.6-173.1 -1.5 6.3 -11.8 80 49 B D S S+ 0 0 9 -66,-1.4 74,-2.0 -2,-0.3 -67,-0.1 0.627 128.6 33.1 -81.9 -10.8 -4.9 7.7 -12.9 81 50 B R S S+ 0 0 72 -69,-0.6 69,-2.7 72,-0.2 2,-0.4 0.666 109.7 65.2-113.1 -28.9 -5.8 4.2 -14.2 82 51 B W E - M 0 149C 0 -70,-0.3 -4,-1.9 67,-0.2 -3,-1.1 -0.857 49.2-172.2-113.6 142.1 -4.1 1.7 -11.9 83 52 B V E -LM 77 148C 0 65,-2.0 65,-2.2 -2,-0.4 2,-0.4 -0.977 14.2-147.5-125.6 135.2 -4.5 0.7 -8.3 84 53 B L E +LM 76 147C 0 -8,-3.4 -8,-3.0 -2,-0.4 2,-0.3 -0.835 30.8 142.2-106.3 141.0 -2.2 -1.7 -6.4 85 54 B T E - 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