==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAY-11 3S7H . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.NIU,Z.CHEN,P.GANDHI,A.VOGT,N.POZZI,L.A.PELE,F.ZAPATA,E.DI . 275 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 60.4 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 26.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 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 . 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 1BA A 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.2 -4.3 25.8 15.1 2 1AA D > + 0 0 76 144,-0.0 3,-1.3 2,-0.0 145,-0.1 0.472 360.0 133.1-102.8 -6.5 -7.4 26.2 12.9 3 1 A a T 3 S+ 0 0 37 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.055 71.0 13.1 -54.7 146.1 -7.7 23.1 10.8 4 2 A G T 3 S+ 0 0 0 141,-2.8 236,-1.7 235,-0.2 2,-0.6 0.569 92.7 112.4 70.5 10.2 -11.0 21.2 10.4 5 3 A L < - 0 0 32 -3,-1.3 -1,-0.2 140,-0.3 234,-0.1 -0.960 63.3-140.2-113.9 110.8 -13.1 24.0 11.9 6 4 A R > > - 0 0 0 -2,-0.6 5,-2.3 1,-0.1 3,-1.3 -0.538 5.2-139.7 -79.5 131.1 -15.3 25.4 9.1 7 5 A P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.824 103.8 42.6 -53.4 -36.2 -15.9 29.2 9.0 8 6 A L T 3 5S+ 0 0 30 133,-0.4 31,-0.1 30,-0.4 -2,-0.0 0.399 129.4 21.8 -96.8 1.9 -19.6 28.7 8.0 9 7 A F T X >S+ 0 0 14 -3,-1.3 5,-3.0 29,-0.1 3,-1.2 0.462 127.3 24.7-128.3 -85.5 -20.3 25.9 10.5 10 8 A E G > 5S+ 0 0 19 1,-0.3 3,-1.2 3,-0.2 -5,-0.1 0.886 123.1 52.3 -55.8 -42.1 -18.2 25.2 13.6 11 9 A K G 3 > S+ 0 0 34 2,-0.1 4,-0.8 1,-0.1 3,-0.8 0.389 85.0 100.7-131.3 4.7 -26.0 15.2 7.9 19 14CA E H 3> S+ 0 0 9 -3,-0.4 4,-2.3 1,-0.2 3,-0.2 0.800 77.7 67.2 -65.0 -26.9 -23.1 15.5 10.5 20 14DA R H 3> S+ 0 0 147 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.902 94.7 58.0 -52.3 -44.8 -25.5 14.0 13.1 21 14EA E H <> S+ 0 0 57 -3,-0.8 4,-0.8 1,-0.2 -1,-0.2 0.877 108.0 46.1 -55.4 -41.2 -25.4 10.8 11.1 22 14FA L H >X S+ 0 0 0 -4,-0.8 3,-0.9 -3,-0.2 4,-0.5 0.966 114.4 45.2 -65.5 -52.9 -21.6 10.6 11.5 23 14GA L H >< S+ 0 0 53 -4,-2.3 3,-1.0 1,-0.3 -2,-0.2 0.861 110.5 53.7 -66.2 -35.1 -21.5 11.4 15.2 24 14HA E H 3< S+ 0 0 117 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.722 100.5 63.3 -69.8 -21.0 -24.4 9.0 16.1 25 14IA S H << S+ 0 0 16 -3,-0.9 2,-1.9 -4,-0.8 -1,-0.2 0.691 75.3 98.2 -74.8 -19.4 -22.5 6.2 14.3 26 14JA Y << 0 0 33 -3,-1.0 -1,-0.1 -4,-0.5 136,-0.1 -0.492 360.0 360.0 -80.3 81.8 -19.6 6.3 16.8 27 14KA I 0 0 170 -2,-1.9 -1,-0.2 0, 0.0 134,-0.1 0.900 360.0 360.0 -87.8 360.0 -20.6 3.4 19.1 28 !* 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 29 16 B I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 126.9 -21.0 10.4 -6.0 30 17 B V B +A 220 0A 28 190,-2.2 190,-1.8 1,-0.2 143,-0.1 -0.892 360.0 0.5-104.5 135.6 -24.0 8.1 -6.4 31 18 B E S S+ 0 0 155 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.793 99.1 127.0 58.6 35.2 -27.1 8.4 -4.2 32 19 B G - 0 0 27 -3,-0.3 2,-0.3 152,-0.1 152,-0.2 -0.201 52.1-122.9 -95.6-164.9 -25.7 11.4 -2.3 33 20 B S E -B 183 0B 60 150,-1.9 150,-2.4 -2,-0.1 2,-0.2 -0.895 36.5 -72.7-136.4 168.8 -27.2 14.8 -1.7 34 21 B D E -B 182 0B 104 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.447 47.6-127.8 -64.0 127.2 -26.4 18.4 -2.4 35 22 B A - 0 0 6 146,-3.2 2,-0.2 -2,-0.2 146,-0.1 -0.387 23.1-117.3 -65.3 149.2 -23.6 19.8 -0.2 36 23 B E > - 0 0 45 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.564 44.7 -81.2 -82.2 157.4 -24.3 23.1 1.6 37 24 B I T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.400 116.6 6.9 -60.5 129.4 -22.2 26.1 0.8 38 25 B G T 3 S+ 0 0 11 104,-0.1 -30,-0.4 -2,-0.1 -1,-0.3 0.587 91.4 124.5 73.7 11.3 -18.8 26.0 2.7 39 26 B M S < S+ 0 0 3 -3,-1.8 -2,-0.1 1,-0.3 -33,-0.1 0.757 84.4 24.2 -72.7 -27.5 -19.6 22.5 4.0 40 27 B S S > S+ 0 0 12 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.538 70.9 163.6-135.7 66.2 -16.3 21.0 2.6 41 28 B P T 3 S+ 0 0 4 0, 0.0 103,-1.4 0, 0.0 51,-0.1 0.574 73.9 61.0 -72.6 -5.4 -14.0 24.1 2.3 42 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.4 103,-0.1 2,-0.2 0.392 76.1 122.7 -93.2 -0.0 -10.9 21.8 1.9 43 30 B Q E < -J 59 0C 7 -3,-2.2 49,-0.9 16,-0.2 2,-0.4 -0.450 41.6-171.9 -67.7 130.5 -12.3 20.2 -1.3 44 31 B V E -JK 58 91C 0 14,-2.4 14,-1.2 -2,-0.2 2,-0.5 -0.972 14.7-146.2-125.1 140.1 -9.9 20.6 -4.2 45 32 B M E -JK 57 90C 2 45,-2.4 45,-1.9 -2,-0.4 2,-0.5 -0.930 11.7-150.0-104.1 127.8 -10.6 19.8 -7.9 46 33 B L E -JK 56 89C 0 10,-3.2 9,-3.2 -2,-0.5 10,-1.3 -0.870 19.7-173.6 -99.3 127.5 -7.6 18.5 -10.0 47 34 B F E -JK 54 88C 23 41,-3.1 41,-2.0 -2,-0.5 2,-0.3 -0.907 27.6-127.8-120.2 146.9 -7.7 19.4 -13.7 48 35 B R E > -JK 53 87C 81 5,-2.6 5,-1.3 -2,-0.3 39,-0.2 -0.727 23.8-142.6 -77.2 138.7 -5.7 18.5 -16.8 49 36 B K T 5S+ 0 0 80 37,-3.1 3,-0.3 -2,-0.3 -1,-0.1 0.963 76.9 52.1 -68.9 -54.4 -4.7 21.8 -18.5 50 36AB S T 5S+ 0 0 95 1,-0.4 -1,-0.3 36,-0.3 2,-0.1 -0.983 120.1 18.0-143.0 122.4 -5.0 20.7 -22.1 51 37 B P T 5S- 0 0 88 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.635 107.8-122.6 -67.5 145.3 -7.5 19.5 -23.1 52 38 B Q T 5 + 0 0 120 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.381 49.6 150.7 -63.2 121.4 -9.2 20.9 -20.0 53 39 B E E < -J 48 0C 93 -5,-1.3 -5,-2.6 -2,-0.2 2,-0.4 -0.972 50.1-111.3-155.0 140.4 -10.8 18.1 -18.0 54 40 B L E +J 47 0C 53 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.550 38.7 171.0 -67.8 124.7 -11.7 17.3 -14.4 55 41 B L E - 0 0 29 -9,-3.2 2,-0.3 -2,-0.4 169,-0.2 0.857 49.9 -23.5 -98.9 -52.5 -9.4 14.5 -13.3 56 42 B b E -J 46 0C 4 -10,-1.3 -10,-3.2 169,-0.1 -1,-0.4 -0.971 55.9-103.6-160.6 156.5 -9.7 13.8 -9.6 57 43 B G E +J 45 0C 5 169,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.362 38.4 173.6 -81.5 175.0 -10.7 15.3 -6.2 58 44 B A E -J 44 0C 0 -14,-1.2 -14,-2.4 10,-0.1 2,-0.4 -0.936 21.4-118.5-170.4 174.8 -8.0 16.3 -3.7 59 45 B S E -JL 43 67C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.989 13.0-125.5-139.4 146.0 -7.8 18.1 -0.3 60 46 B L E + L 0 66C 0 -18,-2.4 86,-2.3 -2,-0.4 6,-0.2 -0.768 30.3 165.4 -88.6 118.1 -6.3 21.2 1.1 61 47 B I S S- 0 0 21 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.539 70.1 -7.3-110.1 -11.6 -4.1 20.5 4.2 62 48 B S S S- 0 0 34 3,-1.1 3,-0.4 85,-0.1 -1,-0.2 -0.915 89.9 -77.5-161.0-174.6 -2.3 23.9 4.4 63 49 B D S S+ 0 0 50 -2,-0.3 74,-2.8 1,-0.2 72,-0.1 0.627 129.2 21.2 -71.1 -12.0 -2.1 27.1 2.4 64 50 B R S S+ 0 0 96 72,-0.2 69,-1.8 1,-0.1 2,-0.4 0.246 107.9 83.5-139.7 15.1 0.3 25.5 -0.1 65 51 B W E - M 0 132C 15 -3,-0.4 -4,-2.2 67,-0.2 -3,-1.1 -0.986 46.9-174.9-126.9 133.4 -0.2 21.7 0.1 66 52 B V E -LM 60 131C 0 65,-2.4 65,-2.7 -2,-0.4 2,-0.4 -0.983 12.8-149.2-124.9 133.1 -2.8 19.5 -1.5 67 53 B L E +LM 59 130C 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.841 29.6 148.5-101.5 134.5 -3.3 15.8 -0.9 68 54 B T E - M 0 129C 0 61,-2.6 61,-2.0 -2,-0.4 2,-0.3 -0.830 48.6 -75.1-146.2-174.2 -4.6 13.4 -3.6 69 55 B A > - 0 0 0 -12,-0.4 3,-1.1 59,-0.2 4,-0.3 -0.728 31.2-133.8 -88.5 143.3 -4.3 9.8 -4.8 70 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 3,-2.2 0.883 105.7 62.2 -59.5 -39.1 -1.1 8.7 -6.7 71 57 B H G 34 S+ 0 0 7 1,-0.3 -1,-0.2 2,-0.2 176,-0.0 0.663 92.3 67.3 -65.1 -17.4 -3.2 7.0 -9.4 72 58 B b G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.643 117.8 22.1 -67.8 -21.8 -4.7 10.5 -10.2 73 59 B L T <4 S+ 0 0 1 -3,-2.2 9,-2.3 -4,-0.3 2,-0.4 0.668 128.5 39.0-118.7 -34.2 -1.2 11.5 -11.5 74 60 B L E < +P 81 0D 36 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.944 55.1 136.9-134.6 108.9 0.6 8.3 -12.3 75 60AB Y E > > -P 80 0D 38 5,-2.5 5,-1.9 -2,-0.4 3,-1.6 -0.617 24.1-172.4-150.7 85.5 -1.0 5.3 -14.0 76 60BB P G > 5S+ 0 0 52 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.775 79.2 66.8 -50.9 -39.1 1.2 3.8 -16.8 77 60CB P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.804 110.6 38.7 -58.9 -25.4 -1.4 1.2 -18.1 78 60DB W G < 5S- 0 0 127 -3,-1.6 3,-0.1 2,-0.1 -3,-0.0 0.134 119.8-110.2-105.3 18.6 -3.4 4.2 -19.3 79 60EB D T < 5 + 0 0 152 -3,-2.5 2,-0.6 1,-0.2 -5,-0.0 0.836 67.3 153.2 59.4 34.9 -0.3 6.2 -20.4 80 60FB K E < +P 75 0D 36 -5,-1.9 -5,-2.5 1,-0.0 -1,-0.2 -0.873 6.5 137.7-102.5 118.8 -0.9 8.6 -17.5 81 60GB N E -P 74 0D 112 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.471 30.5-169.9-158.4 75.6 2.2 10.4 -16.1 82 60HB F - 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