==== 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 19-NOV-07 3BEI . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.S.GANDHI,Z.CHEN,F.S.MATHEWS,E.DI CERA . 287 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 59.9 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 . 72 25.1 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 . 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 . 1 0.3 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 . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 10.1 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 1 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 . 3 4 1 3 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 0 156 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 68.6 2.5 35.8 15.5 2 1OA Q + 0 0 197 3,-0.1 2,-0.1 0, 0.0 4,-0.1 0.312 360.0 100.4-114.9 2.1 4.6 33.9 17.9 3 1NA T S S- 0 0 46 2,-0.2 12,-0.0 1,-0.1 11,-0.0 -0.370 84.6-114.5 -84.8 165.3 6.3 31.9 15.1 4 1MA F S S+ 0 0 61 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.922 103.6 51.7 -66.2 -44.9 9.8 32.6 13.6 5 1LA F S S- 0 0 3 6,-0.0 -2,-0.2 1,-0.0 -3,-0.1 -0.707 95.4-113.2 -93.7 146.2 8.3 33.6 10.3 6 1KA N >> - 0 0 7 -2,-0.3 4,-3.5 1,-0.2 3,-1.2 -0.649 17.8-146.0 -77.8 121.4 5.5 36.1 9.9 7 1JA P H 3> S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.783 95.6 70.2 -59.7 -23.6 2.4 34.2 8.7 8 1IA R H 34 S+ 0 0 201 1,-0.2 4,-0.1 2,-0.2 -2,-0.0 0.885 119.3 16.3 -59.5 -39.8 1.4 37.3 6.8 9 1HA T H <4 S+ 0 0 27 -3,-1.2 -1,-0.2 2,-0.1 279,-0.1 0.744 129.3 51.0-103.7 -32.5 4.3 36.7 4.4 10 1GA F H < S- 0 0 4 -4,-3.5 68,-0.6 1,-0.2 69,-0.2 0.815 95.4-142.2 -76.8 -31.1 5.2 33.1 5.1 11 1FA G < - 0 0 7 -4,-1.8 3,-0.3 -5,-0.4 -1,-0.2 -0.514 40.1 -43.6 92.5-170.6 1.6 31.7 4.8 12 1EA S S S+ 0 0 62 -2,-0.2 65,-2.0 1,-0.2 66,-0.2 -0.476 98.0 69.8 -93.2 168.0 0.3 29.0 7.0 13 1DA G + 0 0 15 63,-0.2 4,-0.5 -2,-0.1 3,-0.3 0.059 58.3 104.3 121.1 -27.2 2.1 25.8 8.2 14 1CA E S > S+ 0 0 45 -3,-0.3 3,-1.4 1,-0.2 -2,-0.1 0.927 80.4 52.7 -56.5 -49.1 4.9 26.6 10.6 15 1BA A T 3 S+ 0 0 80 1,-0.3 -1,-0.2 146,-0.0 146,-0.0 0.846 117.3 35.8 -58.1 -36.8 3.2 25.6 13.8 16 1AA D T > S+ 0 0 67 -3,-0.3 3,-1.1 144,-0.0 -1,-0.3 0.288 89.7 143.1-101.2 12.8 2.2 22.1 12.7 17 1 A a T < + 0 0 15 -3,-1.4 143,-0.2 -4,-0.5 144,-0.1 -0.049 59.4 15.2 -57.2 148.3 5.4 21.5 10.6 18 2 A G T 3 S+ 0 0 0 141,-2.8 233,-1.7 1,-0.2 2,-0.6 0.533 88.5 113.3 71.7 7.5 7.1 18.1 10.4 19 3 A L < - 0 0 26 -3,-1.1 -1,-0.2 140,-0.3 231,-0.1 -0.956 62.9-139.2-112.9 109.2 4.3 16.0 11.8 20 4 A R > > - 0 0 0 -2,-0.6 5,-2.3 1,-0.1 3,-1.6 -0.536 4.4-139.8 -77.8 128.3 3.1 13.7 9.0 21 5 A P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.846 102.7 42.6 -51.6 -38.1 -0.7 13.2 8.8 22 6 A L T 3 5S+ 0 0 27 133,-0.4 31,-0.1 30,-0.3 -2,-0.0 0.440 129.0 19.3 -94.0 2.7 -0.2 9.5 7.9 23 7 A F T X >S+ 0 0 13 -3,-1.6 5,-2.8 29,-0.1 3,-1.5 0.454 127.8 27.9-131.2 -84.1 2.5 8.6 10.4 24 8 A E G > 5S+ 0 0 18 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.887 121.8 53.2 -53.1 -41.8 3.2 10.8 13.5 25 9 A K G 3 > S+ 0 0 29 2,-0.1 3,-1.2 1,-0.1 4,-0.9 0.401 85.4 100.7-125.8 5.6 13.2 2.9 8.0 33 14CA E H 3> S+ 0 0 8 -3,-0.4 4,-2.3 1,-0.3 3,-0.4 0.815 78.4 65.7 -63.0 -25.7 12.9 5.8 10.4 34 14DA R H 3> S+ 0 0 158 -4,-0.4 4,-3.0 1,-0.2 -1,-0.3 0.854 94.0 60.7 -59.6 -36.0 14.3 3.6 13.2 35 14EA E H <> S+ 0 0 55 -3,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.874 107.4 44.7 -61.4 -36.5 17.6 3.6 11.2 36 14FA L H >X S+ 0 0 0 -4,-0.9 3,-0.9 -3,-0.4 4,-0.6 0.970 114.8 45.8 -71.5 -52.0 17.8 7.3 11.6 37 14GA L H >< S+ 0 0 58 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.878 109.9 55.1 -60.9 -36.3 16.9 7.4 15.3 38 14HA E H 3< S+ 0 0 123 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.777 101.6 59.4 -68.2 -22.8 19.3 4.6 16.1 39 14IA S H << S+ 0 0 17 -3,-0.9 2,-1.8 -4,-0.8 -1,-0.2 0.672 80.4 92.3 -78.6 -15.1 22.1 6.5 14.5 40 14JA Y << 0 0 27 -3,-1.1 -1,-0.2 -4,-0.6 136,-0.1 -0.527 360.0 360.0 -83.3 78.3 21.8 9.4 16.9 41 14KA I 0 0 171 -2,-1.8 -1,-0.2 0, 0.0 -2,-0.0 0.999 360.0 360.0 -71.0 360.0 24.2 8.3 19.6 42 !* 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 43 16 B I 0 0 7 0, 0.0 142,-1.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.2 18.1 7.9 -6.0 44 17 B V B +A 231 0A 37 187,-2.4 187,-1.9 1,-0.2 3,-0.1 -0.963 360.0 3.2-122.2 140.4 20.3 4.9 -6.3 45 18 B E S S+ 0 0 152 -2,-0.4 184,-0.2 185,-0.2 -1,-0.2 0.877 96.1 131.8 56.4 43.8 20.1 1.8 -4.1 46 19 B G - 0 0 32 -3,-0.2 2,-0.3 149,-0.1 149,-0.2 -0.352 51.1-118.3-108.4-169.1 17.1 3.0 -2.2 47 20 B S E -B 194 0B 59 147,-1.8 147,-2.6 -2,-0.1 2,-0.3 -0.859 40.5 -77.2-128.7 165.3 13.8 1.3 -1.2 48 21 B D E -B 193 0B 98 -2,-0.3 145,-0.2 145,-0.2 144,-0.1 -0.457 45.7-135.5 -66.3 127.6 10.2 2.2 -2.0 49 22 B A - 0 0 6 143,-3.1 2,-0.2 -2,-0.3 143,-0.1 -0.377 22.5-115.2 -75.0 161.3 8.9 5.0 0.1 50 23 B E > - 0 0 44 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.627 40.5 -81.6 -95.9 156.6 5.4 4.6 1.6 51 24 B I T 3 S+ 0 0 75 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.345 116.2 7.6 -58.2 134.0 2.4 6.7 0.7 52 25 B G T 3 S+ 0 0 10 104,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.544 91.2 124.2 71.9 9.6 2.5 10.1 2.6 53 26 B M S < S+ 0 0 2 -3,-2.0 -2,-0.1 1,-0.3 -33,-0.1 0.758 82.6 25.3 -74.4 -26.4 6.0 9.4 4.0 54 27 B S S > S+ 0 0 11 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.530 70.5 164.9-135.2 68.2 7.5 12.6 2.6 55 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.4 0, 0.0 51,-0.2 0.579 73.4 60.6 -65.5 -8.6 4.6 15.0 2.2 56 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 2,-0.2 0.424 76.1 120.2 -94.3 -1.0 6.9 18.0 1.9 57 30 B Q E < -J 73 0C 11 -3,-2.2 49,-0.9 16,-0.2 2,-0.4 -0.453 42.2-173.5 -70.2 132.1 8.5 16.6 -1.3 58 31 B V E -JK 72 105C 0 14,-2.4 14,-1.3 -2,-0.2 2,-0.5 -0.966 13.7-146.9-125.9 141.3 8.0 18.9 -4.3 59 32 B M E -JK 71 104C 9 45,-2.6 45,-2.2 -2,-0.4 2,-0.5 -0.949 10.4-148.0-111.7 131.2 9.0 18.2 -7.9 60 33 B L E -JK 70 103C 0 10,-2.8 9,-3.1 -2,-0.5 10,-1.5 -0.860 18.6-173.1-102.3 129.1 10.2 21.0 -10.2 61 34 B F E -JK 68 102C 23 41,-2.8 41,-1.8 -2,-0.5 2,-0.3 -0.881 28.0-124.2-123.2 149.1 9.4 20.8 -13.9 62 35 B R E > -JK 67 101C 69 5,-2.8 5,-1.1 -2,-0.3 39,-0.2 -0.709 25.9-141.8 -81.7 141.4 10.3 22.7 -17.0 63 36 B K T 5S+ 0 0 74 37,-3.2 3,-0.2 -2,-0.3 -1,-0.1 0.964 76.3 53.2 -71.0 -53.1 7.0 23.8 -18.7 64 36AB S T 5S+ 0 0 100 36,-0.4 -1,-0.3 1,-0.4 2,-0.2 -0.965 120.0 16.0-142.7 120.8 8.0 23.3 -22.3 65 37 B P T 5S- 0 0 93 0, 0.0 2,-0.4 0, 0.0 -1,-0.4 0.660 107.3-119.6 -73.0 157.2 9.0 20.9 -23.3 66 38 B Q T 5 + 0 0 124 -2,-0.2 2,-0.3 -3,-0.2 -3,-0.2 -0.488 50.1 150.2 -69.3 121.9 7.8 19.1 -20.1 67 39 B E E < -J 62 0C 88 -5,-1.1 -5,-2.8 -2,-0.4 2,-0.4 -0.987 48.8-113.2-153.7 142.7 10.7 17.6 -18.2 68 40 B L E +J 61 0C 39 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.612 36.6 172.0 -73.4 130.1 11.5 16.9 -14.5 69 41 B L E - 0 0 27 -9,-3.1 2,-0.3 -2,-0.4 -8,-0.2 0.763 49.3 -29.9-108.2 -37.2 14.4 19.1 -13.4 70 42 B b E -J 60 0C 4 -10,-1.5 -10,-2.8 166,-0.1 -1,-0.3 -0.990 54.4 -96.9-170.6 170.4 14.9 18.7 -9.7 71 43 B G E +J 59 0C 1 166,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.475 37.2 170.4 -95.8 178.0 13.5 18.1 -6.3 72 44 B A E -J 58 0C 0 -14,-1.3 -14,-2.4 -2,-0.2 2,-0.4 -0.938 23.8-115.0-172.4 176.1 12.5 20.8 -3.7 73 45 B S E -JL 57 81C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.981 12.9-127.3-138.2 145.4 10.6 21.0 -0.4 74 46 B L E + L 0 80C 0 -18,-2.2 86,-2.2 -2,-0.4 6,-0.2 -0.799 29.3 166.7 -89.6 116.5 7.5 22.6 0.9 75 47 B I S S- 0 0 3 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.520 70.3 -5.9-107.3 -8.3 8.1 24.8 4.0 76 48 B S S S- 0 0 0 3,-1.1 -63,-0.2 -63,-0.1 -1,-0.2 -0.908 89.9 -80.1-163.1-178.4 4.7 26.6 4.1 77 49 B D S S+ 0 0 19 -65,-2.0 74,-2.4 -2,-0.3 -66,-0.1 0.632 129.1 23.8 -72.1 -6.7 1.6 26.7 2.0 78 50 B R S S+ 0 0 53 -68,-0.6 69,-2.7 -66,-0.2 2,-0.4 0.489 107.6 77.7-134.9 -1.1 3.2 29.1 -0.4 79 51 B W E - M 0 146C 1 -69,-0.2 -4,-2.2 67,-0.2 -3,-1.1 -0.943 48.2-173.5-120.3 138.7 7.0 28.7 -0.1 80 52 B V E -LM 74 145C 0 65,-2.6 65,-2.5 -2,-0.4 2,-0.4 -0.975 11.8-149.0-127.9 135.7 9.3 26.1 -1.6 81 53 B L E +LM 73 144C 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.825 29.0 148.8-104.3 141.2 13.0 25.6 -1.0 82 54 B T E - 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