==== 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 3S7K . 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 . 567 6 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 60.3 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 . 150 26.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 36 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 0 2 0 2 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 . 8 8 2 6 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 . 2 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 1CA E > 0 0 169 0, 0.0 3,-1.4 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 -29.9 4.9 20.5 2.4 2 1BA A T 3 + 0 0 76 1,-0.3 149,-0.0 149,-0.0 0, 0.0 0.818 360.0 40.1 -61.3 -33.2 2.1 18.6 0.6 3 1AA D T > S+ 0 0 75 147,-0.0 3,-1.2 2,-0.0 -1,-0.3 0.306 90.0 142.2 -98.1 9.0 4.5 15.9 -0.5 4 1 A a T < + 0 0 19 -3,-1.4 146,-0.2 1,-0.2 147,-0.1 -0.077 61.3 12.5 -58.2 146.3 6.5 15.8 2.9 5 2 A G T 3 S+ 0 0 0 144,-3.0 241,-2.0 240,-0.2 2,-0.6 0.509 90.8 114.3 74.6 7.8 7.8 12.6 4.4 6 3 A L < - 0 0 30 -3,-1.2 -1,-0.2 143,-0.3 239,-0.1 -0.945 61.8-140.0-112.0 110.3 7.3 10.4 1.4 7 4 A R > > - 0 0 0 -2,-0.6 5,-2.1 1,-0.1 3,-1.5 -0.546 4.9-139.8 -82.3 131.1 10.7 9.2 0.1 8 5 A P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.829 103.3 42.0 -50.9 -37.6 11.2 9.1 -3.7 9 6 A L T 3 5S+ 0 0 29 136,-0.4 34,-0.1 33,-0.3 -2,-0.1 0.441 129.5 21.1 -96.1 0.3 13.2 5.8 -3.5 10 7 A F T X>>S+ 0 0 13 -3,-1.5 5,-2.6 32,-0.1 3,-1.6 0.452 127.0 25.8-127.0 -87.1 11.0 4.1 -0.9 11 8 A E G >45S+ 0 0 26 1,-0.3 3,-1.6 3,-0.2 -5,-0.1 0.892 122.1 53.0 -51.4 -46.7 7.3 5.1 -0.3 12 9 A K G 34> S+ 0 0 39 2,-0.1 3,-1.2 1,-0.0 4,-0.6 0.439 85.6 98.1-128.7 -1.6 14.6 -1.5 9.4 20 14CA E H >> S+ 0 0 14 -3,-0.4 4,-1.7 1,-0.3 3,-0.8 0.801 78.2 66.1 -59.7 -29.1 11.3 0.5 9.2 21 14DA R H 3> S+ 0 0 113 -4,-0.4 4,-2.9 1,-0.2 -1,-0.3 0.850 91.2 64.5 -57.3 -35.2 9.3 -2.7 10.1 22 14EA E H <> S+ 0 0 43 -3,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.861 103.1 48.0 -56.6 -36.4 11.1 -2.4 13.5 23 14FA L H X S+ 0 0 57 -4,-2.9 4,-3.5 1,-0.2 3,-0.7 0.891 106.0 52.0 -55.2 -44.2 6.4 -3.4 15.3 26 14IA S H 3< S+ 0 0 19 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.819 106.5 54.2 -64.9 -31.6 7.1 -1.1 18.3 27 14JA Y H 3< S+ 0 0 19 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.676 127.5 18.2 -74.6 -20.5 3.8 0.8 17.7 28 14KA I H << S- 0 0 117 -4,-0.9 -2,-0.2 -3,-0.7 -3,-0.2 0.720 116.1 -98.7-114.4 -38.2 1.6 -2.4 17.8 29 14LA D < - 0 0 132 -4,-3.5 -3,-0.2 1,-0.3 -2,-0.1 0.224 69.2 -23.6 103.7 123.4 3.9 -4.9 19.5 30 14MA G 0 0 46 1,-0.1 -1,-0.3 -8,-0.1 -2,-0.2 0.095 360.0 360.0 58.3-154.0 5.9 -7.6 17.6 31 15 A R 0 0 257 -3,-0.1 -1,-0.1 -7,-0.0 -6,-0.1 -0.536 360.0 360.0 60.7 360.0 5.6 -9.3 14.2 32 !* 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 33 16 B I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.4 25.8 7.5 16.2 34 17 B V B +A 226 0A 17 192,-2.1 192,-1.2 1,-0.2 143,-0.1 -0.824 360.0 3.0 -98.2 142.5 26.8 4.5 18.3 35 18 B E S S+ 0 0 119 -2,-0.4 -1,-0.2 141,-0.2 189,-0.1 0.741 98.7 131.6 54.9 27.8 25.7 1.0 17.3 36 19 B G - 0 0 25 -3,-0.3 2,-0.3 154,-0.1 154,-0.2 -0.141 48.1-132.1 -84.6-169.0 24.0 2.3 14.2 37 20 B S E -B 189 0B 61 152,-2.0 152,-2.5 -3,-0.1 2,-0.1 -0.922 33.1 -75.6-138.1 169.4 24.3 0.9 10.7 38 21 B D E -B 188 0B 102 -2,-0.3 150,-0.2 150,-0.2 2,-0.1 -0.419 50.1-120.5 -64.2 134.8 24.9 2.4 7.2 39 22 B A - 0 0 7 148,-2.5 2,-0.2 59,-0.1 -1,-0.1 -0.451 22.4-116.7 -70.6 146.7 21.9 4.2 5.7 40 23 B E > - 0 0 46 -2,-0.1 3,-2.0 1,-0.1 4,-0.3 -0.521 48.3 -83.4 -71.7 154.7 20.5 3.0 2.4 41 24 B I T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.414 117.7 9.1 -60.5 132.3 20.8 5.5 -0.5 42 25 B G T 3 S+ 0 0 12 104,-0.1 -33,-0.3 2,-0.1 -1,-0.3 0.585 91.2 125.4 74.1 10.5 17.8 7.9 -0.2 43 26 B M S < S+ 0 0 7 -3,-2.0 -2,-0.1 1,-0.3 -36,-0.1 0.794 84.3 22.2 -72.9 -28.5 16.8 6.5 3.2 44 27 B S S > S+ 0 0 12 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.576 70.4 166.6-137.8 68.3 16.9 9.9 4.9 45 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.6 0, 0.0 51,-0.1 0.541 74.3 61.2 -75.5 -4.4 16.5 12.5 2.1 46 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.4 103,-0.1 2,-0.2 0.340 76.1 125.0 -93.1 -0.6 15.8 15.3 4.5 47 30 B Q E < -J 63 0C 3 -3,-2.1 49,-0.9 16,-0.2 2,-0.4 -0.451 40.0-172.2 -63.3 132.7 19.2 14.9 6.2 48 31 B V E -JK 62 95C 0 14,-2.1 14,-1.1 -2,-0.2 2,-0.5 -0.980 15.5-146.5-128.3 138.3 21.2 18.1 6.3 49 32 B M E -JK 61 94C 0 45,-2.6 45,-2.1 -2,-0.4 2,-0.6 -0.921 11.9-148.8-101.4 128.9 24.8 18.6 7.3 50 33 B L E -JK 60 93C 0 10,-2.9 9,-2.9 -2,-0.5 10,-1.4 -0.893 21.7-172.5 -99.5 123.7 25.7 21.9 9.0 51 34 B F E -JK 58 92C 2 41,-3.2 41,-2.1 -2,-0.6 2,-0.4 -0.902 27.8-130.6-117.9 142.7 29.3 23.1 8.3 52 35 B R E > -JK 57 91C 88 5,-3.0 5,-1.4 -2,-0.4 39,-0.2 -0.744 24.7-142.0 -76.9 135.0 31.5 25.8 9.5 53 36 B K T 5S+ 0 0 82 37,-2.6 -1,-0.1 -2,-0.4 38,-0.1 0.955 78.0 52.4 -67.2 -51.8 32.9 27.5 6.3 54 36AB S T 5S+ 0 0 103 36,-0.3 -1,-0.3 1,-0.3 2,-0.1 -0.965 117.6 20.5-143.9 118.7 36.5 28.2 7.6 55 37 B P T 5S- 0 0 82 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.615 106.3-115.7 -67.3 152.3 38.0 26.0 8.8 56 38 B Q T 5 + 0 0 122 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.2 -0.414 53.7 159.7 -57.4 120.5 35.9 23.4 7.0 57 39 B E E < -J 52 0C 86 -5,-1.4 -5,-3.0 -2,-0.2 2,-0.5 -0.922 44.3-130.2-153.6 119.5 34.3 21.6 9.9 58 40 B L E +J 51 0C 28 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.631 34.1 173.1 -66.2 118.1 31.1 19.4 10.2 59 41 B L E - 0 0 20 -9,-2.9 2,-0.3 -2,-0.5 173,-0.2 0.855 47.9 -26.3 -95.3 -48.1 29.3 21.0 13.2 60 42 B b E -J 50 0C 8 -10,-1.4 -10,-2.9 171,-0.1 -1,-0.3 -0.944 56.9 -97.1-160.6 167.9 25.9 19.4 13.5 61 43 B G E +J 49 0C 4 171,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.431 38.2 169.4 -90.2 174.2 23.0 17.6 11.8 62 44 B A E -J 48 0C 0 -14,-1.1 -14,-2.1 -2,-0.2 2,-0.3 -0.932 22.4-123.3-171.8 173.1 19.9 19.3 10.7 63 45 B S E -JL 47 71C 0 8,-2.1 8,-2.8 -2,-0.3 2,-0.6 -0.995 14.7-122.5-140.9 149.8 16.8 18.5 8.6 64 46 B L E + L 0 70C 0 -18,-2.4 86,-2.3 -2,-0.3 6,-0.2 -0.772 29.2 168.4 -90.6 122.9 15.0 19.9 5.6 65 47 B I - 0 0 15 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.444 69.3 -8.4-112.6 -5.1 11.4 20.9 6.3 66 48 B S S S- 0 0 25 3,-1.0 -1,-0.2 85,-0.1 75,-0.1 -0.931 87.5 -79.1-167.1-173.7 10.7 22.8 3.0 67 49 B D S S+ 0 0 72 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.703 130.1 24.9 -72.5 -16.5 12.6 24.0 -0.1 68 50 B R S S+ 0 0 52 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.447 108.8 79.7-122.5 -9.1 13.8 27.1 1.9 69 51 B W E - M 0 136C 6 67,-0.2 -4,-2.4 65,-0.0 -3,-1.0 -0.917 46.8-174.3-120.9 134.0 13.8 26.0 5.6 70 52 B V E -LM 64 135C 0 65,-2.6 65,-2.6 -2,-0.4 2,-0.4 -0.972 13.2-148.5-125.5 133.3 16.2 23.9 7.7 71 53 B L E +LM 63 134C 0 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.2 -0.834 29.6 144.9-104.9 134.7 15.6 22.8 11.3 72 54 B T E - M 0 133C 0 61,-2.5 61,-2.3 -2,-0.4 2,-0.4 -0.842 49.5 -73.6-147.8-173.5 18.4 22.3 13.9 73 55 B A > - 0 0 0 -12,-0.4 3,-1.3 59,-0.2 4,-0.4 -0.755 32.1-134.0 -91.1 139.0 19.3 22.6 17.5 74 56 B A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 3,-2.0 0.883 103.7 63.1 -56.1 -40.4 20.0 26.1 19.0 75 57 B H G 34 S+ 0 0 29 1,-0.3 -1,-0.2 2,-0.2 9,-0.0 0.670 91.2 66.3 -65.0 -18.6 23.1 24.9 20.7 76 58 B b G <4 S+ 0 0 3 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.714 117.5 25.0 -65.9 -24.7 24.7 24.1 17.3 77 59 B L T <4 S+ 0 0 0 -3,-2.0 9,-3.0 -4,-0.4 2,-0.5 0.711 130.2 32.8-110.3 -39.8 24.7 27.8 16.6 78 60 B L E < +P 85 0D 42 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.958 57.0 145.0-132.0 111.3 24.7 29.6 20.0 79 60AB Y E > > -P 84 0D 57 5,-2.4 5,-2.3 -2,-0.5 3,-1.8 -0.694 20.7-172.8-147.2 90.7 26.5 28.2 23.0 80 60BB P G > 5S+ 0 0 49 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.780 81.0 67.2 -57.6 -31.6 28.0 30.9 25.3 81 60CB P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.736 111.7 36.8 -63.0 -18.8 29.8 28.4 27.6 82 60DB W G < 5S- 0 0 159 -3,-1.8 3,-0.1 2,-0.1 -3,-0.0 0.180 117.0-114.2-109.4 13.3 32.0 27.6 24.6 83 60EB D T < 5 + 0 0 153 -3,-2.0 2,-0.5 1,-0.2 -5,-0.0 0.877 64.7 158.3 47.5 43.0 32.0 31.2 23.3 84 60FB K E < +P 79 0D 42 -5,-2.3 -5,-2.4 -9,-0.0 -1,-0.2 -0.852 11.2 146.1 -99.4 123.8 30.0 29.9 20.3 85 60GB N E -P 78 0D 104 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.547 22.5-171.5-158.6 83.8 27.9 32.2 18.3 86 60HB F - 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