==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 01-JUL-04 1TWX . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.O.PINEDA,E.ZHANG,E.R.GUINTO,S.N.SAVVIDES,A.TULINSKY,E.DI C . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 60.7 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 . 78 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 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 . 25 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 0 1 0 1 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 . 4 3 1 4 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 0 129 0, 0.0 147,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.5 22.4 -10.3 27.9 2 1AA D > + 0 0 60 145,-0.0 3,-0.8 144,-0.0 146,-0.1 0.362 360.0 122.9-136.9 -12.1 25.6 -8.8 29.3 3 1 A a T 3 + 0 0 32 1,-0.2 144,-0.2 144,-0.1 240,-0.1 0.477 62.1 33.6 -40.9-168.0 24.7 -5.2 29.3 4 2 A G T 3 S+ 0 0 0 142,-0.7 238,-0.8 238,-0.2 2,-0.6 0.595 93.6 115.8 25.1 18.8 24.6 -2.8 32.2 5 3 A L < - 0 0 30 -3,-0.8 -1,-0.1 141,-0.5 236,-0.1 -0.880 57.7-149.9-116.4 105.4 27.6 -5.0 33.4 6 4 A R > > - 0 0 0 -2,-0.6 5,-2.1 1,-0.1 3,-1.0 -0.506 9.7-144.0 -78.3 133.4 30.8 -3.0 33.5 7 5 A P T 3 5S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.831 100.1 47.6 -61.5 -35.7 34.2 -4.8 33.0 8 6 A L T 3 5S+ 0 0 40 134,-0.4 32,-0.1 31,-0.3 -2,-0.0 0.442 128.9 13.1 -89.2 0.5 36.0 -2.6 35.5 9 7 A F T < >S+ 0 0 7 -3,-1.0 5,-3.7 30,-0.1 4,-0.2 0.491 126.8 30.8-134.7 -75.2 33.5 -2.9 38.3 10 8 A E T > 5S+ 0 0 28 3,-0.3 3,-2.1 2,-0.2 -5,-0.1 0.972 125.9 42.8 -57.7 -58.0 30.6 -5.4 38.3 11 9 A K T 3 > S+ 0 0 21 2,-0.1 3,-1.1 1,-0.1 4,-1.0 0.432 81.0 109.9-134.0 5.8 29.3 6.8 44.7 19 14CA E H 3> S+ 0 0 18 -3,-0.4 4,-2.2 1,-0.3 5,-0.2 0.757 78.4 70.9 -54.4 -19.6 27.0 4.0 43.4 20 14DA R H 3> S+ 0 0 141 -4,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.946 90.7 55.2 -60.1 -50.8 26.3 3.6 47.2 21 14EA E H <> S+ 0 0 60 -3,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.888 109.2 48.8 -49.9 -44.2 24.3 6.8 47.3 22 14FA L H >X S+ 0 0 0 -4,-1.0 3,-2.5 1,-0.2 4,-0.9 0.994 110.1 47.9 -59.7 -64.2 22.1 5.6 44.5 23 14GA L H 3X S+ 0 0 35 -4,-2.2 4,-0.9 1,-0.3 3,-0.2 0.743 111.2 55.6 -50.2 -23.7 21.4 2.2 46.1 24 14HA E H 3X S+ 0 0 99 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.3 0.697 94.2 65.1 -84.0 -20.2 20.7 4.1 49.3 25 14IA S H << S+ 0 0 11 -3,-2.5 -1,-0.2 -4,-1.0 -2,-0.2 0.731 99.8 54.3 -73.8 -22.4 18.0 6.4 47.7 26 14JA Y H < S+ 0 0 23 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.970 108.0 46.5 -70.7 -56.4 15.8 3.3 47.1 27 14KA I H < 0 0 125 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.1 0.834 360.0 360.0 -52.3 -40.6 15.9 2.2 50.7 28 14LA D < 0 0 178 -4,-1.6 -1,-0.2 134,-0.1 -2,-0.1 -0.732 360.0 360.0 84.2 360.0 15.2 5.7 51.9 29 !* 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 30 16 B I 0 0 0 0, 0.0 2,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 128.4 27.9 18.7 34.6 31 17 B V B +A 222 0A 4 191,-3.2 191,-1.6 1,-0.2 143,-0.1 -0.872 360.0 0.3-100.5 117.7 27.4 21.2 37.4 32 18 B E S S+ 0 0 126 -2,-0.6 -1,-0.2 141,-0.3 188,-0.1 0.877 101.6 124.5 76.4 42.0 28.7 20.1 40.8 33 19 B G - 0 0 33 -3,-0.5 2,-0.3 153,-0.1 153,-0.2 -0.063 52.2-121.2-108.5-148.8 29.9 16.7 39.8 34 20 B S E -B 185 0B 63 151,-1.4 151,-3.3 -2,-0.1 2,-0.3 -0.937 41.1 -73.9-151.8 166.1 33.2 14.8 40.0 35 21 B D E -B 184 0B 98 -2,-0.3 149,-0.3 149,-0.2 148,-0.1 -0.502 52.6-109.7 -71.1 131.8 35.5 13.1 37.6 36 22 B A - 0 0 4 147,-3.3 3,-0.1 -2,-0.3 -1,-0.1 -0.363 34.9-120.2 -59.7 133.3 34.2 9.9 36.1 37 23 B E > - 0 0 81 1,-0.2 3,-2.0 2,-0.1 4,-0.4 -0.396 48.2 -76.2 -70.2 155.6 36.3 7.0 37.5 38 24 B I T 3 S- 0 0 82 1,-0.3 -1,-0.2 2,-0.1 57,-0.1 -0.327 116.7 -1.5 -59.4 130.9 38.0 5.1 34.7 39 25 B G T 3 S+ 0 0 12 2,-0.1 -31,-0.3 55,-0.1 -1,-0.3 0.482 92.8 131.1 68.6 1.9 35.6 2.8 32.9 40 26 B M S < S+ 0 0 7 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.828 81.2 24.6 -54.1 -38.0 32.8 4.0 35.2 41 27 B S > + 0 0 12 -4,-0.4 3,-2.0 1,-0.1 -1,-0.3 -0.591 68.2 167.6-130.6 72.4 30.5 4.7 32.2 42 28 B P T 3 S+ 0 0 3 0, 0.0 103,-2.1 0, 0.0 51,-0.1 0.516 76.9 59.7 -62.5 -5.3 31.7 2.4 29.3 43 29 B W T 3 S+ 0 0 1 101,-0.2 18,-2.4 103,-0.1 2,-0.2 0.490 74.7 113.3-102.1 -6.7 28.4 3.2 27.5 44 30 B Q E < -J 60 0C 3 -3,-2.0 49,-1.0 16,-0.2 50,-0.4 -0.487 47.9-167.8 -68.9 132.3 28.9 7.0 27.3 45 31 B V E -JK 59 92C 0 14,-2.6 14,-2.1 -2,-0.2 2,-0.6 -0.988 14.2-140.0-126.6 131.7 29.4 8.1 23.7 46 32 B M E -JK 58 91C 0 45,-2.5 45,-2.3 -2,-0.4 2,-0.7 -0.812 14.3-138.5 -93.4 121.8 30.6 11.6 22.6 47 33 B L E -JK 57 90C 0 10,-3.1 9,-3.0 -2,-0.6 10,-1.1 -0.689 28.7-164.5 -80.4 115.2 28.9 13.0 19.5 48 34 B F E -JK 55 89C 2 41,-2.0 41,-2.0 -2,-0.7 2,-0.4 -0.827 15.7-135.1-109.7 142.1 31.7 14.6 17.4 49 35 B R E > -JK 54 88C 82 5,-3.4 5,-0.9 -2,-0.4 39,-0.2 -0.722 9.6-147.4 -91.6 136.4 31.5 17.1 14.6 50 36 B K T 5S+ 0 0 36 37,-2.5 -1,-0.2 -2,-0.4 38,-0.1 0.999 77.7 39.7 -63.6 -73.3 33.7 16.5 11.5 51 36AB S T 5S+ 0 0 106 36,-0.4 -1,-0.3 1,-0.3 2,-0.1 -0.982 123.7 24.1-134.5 122.6 34.5 20.0 10.4 52 37 B P T 5S- 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.504 104.7-125.8 -76.1 145.7 35.1 22.0 12.3 53 38 B Q T 5 + 0 0 64 -2,-0.1 232,-0.3 232,-0.1 2,-0.3 -0.360 55.7 126.2 -57.5 126.0 36.1 19.3 14.8 54 39 B E E < -J 49 0C 65 -5,-0.9 -5,-3.4 -2,-0.1 2,-0.6 -0.982 62.6 -84.5-173.3 166.7 34.1 19.8 18.0 55 40 B L E +J 48 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.746 37.2 170.2 -86.3 117.7 31.8 18.2 20.7 56 41 B L E - 0 0 25 -9,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.902 58.7 -41.6 -90.4 -53.7 28.2 18.3 19.6 57 42 B b E -J 47 0C 7 -10,-1.1 -10,-3.1 170,-0.1 -1,-0.3 -0.880 53.3 -98.1-158.5-172.1 26.5 16.2 22.3 58 43 B G E +J 46 0C 1 170,-4.4 12,-0.4 -12,-0.3 2,-0.3 -0.758 37.3 169.3-116.4 165.2 26.7 13.0 24.4 59 44 B A E -J 45 0C 0 -14,-2.1 -14,-2.6 -2,-0.3 2,-0.3 -0.889 25.7-108.5-159.4-173.9 25.0 9.7 23.7 60 45 B S E -JL 44 68C 0 8,-2.3 8,-2.5 -2,-0.3 2,-0.6 -0.977 17.5-126.2-135.2 148.8 24.9 6.1 24.9 61 46 B L E + L 0 67C 0 -18,-2.4 86,-2.3 -2,-0.3 6,-0.2 -0.807 28.2 169.0 -93.6 123.7 25.9 2.7 23.4 62 47 B I E - 0 0 23 4,-2.0 2,-0.2 -2,-0.6 5,-0.1 0.223 69.4 -16.6-118.3 13.5 23.1 0.2 23.3 63 48 B S E > S- L 0 66C 31 3,-0.6 3,-0.5 82,-0.0 -1,-0.5 -0.746 83.2 -81.6 159.3 158.4 24.8 -2.5 21.2 64 49 B D T 3 S+ 0 0 59 1,-0.2 74,-0.6 -2,-0.2 72,-0.1 0.645 128.1 36.4 -56.5 -15.7 27.7 -2.7 18.8 65 50 B R T 3 S+ 0 0 40 72,-0.2 69,-3.9 217,-0.2 2,-0.4 0.635 110.8 59.3-111.8 -19.7 25.7 -1.2 16.0 66 51 B W E < -LM 63 133C 0 -3,-0.5 -4,-2.0 67,-0.2 -3,-0.6 -0.910 49.2-174.2-122.0 144.3 23.4 1.4 17.6 67 52 B V E -LM 61 132C 0 65,-2.2 65,-2.9 -2,-0.4 2,-0.3 -0.980 17.1-143.0-129.7 141.8 23.8 4.5 19.7 68 53 B L E +LM 60 131C 0 -8,-2.5 -8,-2.3 -2,-0.4 2,-0.3 -0.825 28.7 151.6-107.7 143.7 21.0 6.5 21.3 69 54 B T E - M 0 130C 0 61,-2.1 61,-2.3 -2,-0.3 2,-0.2 -0.935 47.2 -78.1-156.5 175.0 20.9 10.3 21.7 70 55 B A > - 0 0 0 -12,-0.4 3,-0.6 -2,-0.3 4,-0.3 -0.510 37.1-129.2 -80.2 153.0 18.4 13.2 21.9 71 56 B A G >> S+ 0 0 0 1,-0.2 4,-2.0 -2,-0.2 3,-1.3 0.815 101.3 62.2 -76.3 -31.0 16.8 14.4 18.7 72 57 B H G 34 S+ 0 0 27 1,-0.3 -1,-0.2 2,-0.2 56,-0.0 0.606 91.2 70.1 -71.7 -8.5 17.6 18.2 19.0 73 58 B b G <4 S+ 0 0 1 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.748 114.4 27.0 -73.5 -24.9 21.4 17.3 18.9 74 59 B L T <4 S+ 0 0 2 -3,-1.3 9,-1.1 -4,-0.3 2,-0.4 0.666 132.1 28.4-108.5 -25.8 20.8 16.4 15.2 75 60 B L E < +P 82 0D 40 -4,-2.0 -1,-0.3 7,-0.2 7,-0.2 -0.970 54.9 142.9-144.8 125.8 17.8 18.5 14.2 76 60AB Y E > > -P 81 0D 54 5,-2.7 3,-2.4 -2,-0.4 5,-1.2 -0.511 22.8-168.1-162.2 85.1 16.7 21.9 15.5 77 60BB P G > 5S+ 0 0 51 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 0.833 83.8 70.5 -42.5 -45.9 15.3 24.3 12.9 78 60CB P G 3 5S+ 0 0 67 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.801 111.8 31.3 -47.1 -31.5 15.4 27.2 15.3 79 60DB W G < 5S- 0 0 185 -3,-2.4 0, 0.0 2,-0.1 0, 0.0 0.194 117.9-107.1-112.8 15.9 19.2 27.2 15.0 80 60EB D T < 5 + 0 0 157 -3,-2.8 2,-0.5 1,-0.2 -5,-0.0 0.955 67.3 154.7 58.5 51.1 19.3 25.9 11.5 81 60FB K E < +P 76 0D 51 -5,-1.2 -5,-2.7 1,-0.1 -1,-0.2 -0.957 11.6 137.3-115.6 127.0 20.5 22.5 12.6 82 60GB N E -P 75 0D 120 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.219 33.7-166.5-163.2 53.9 19.9 19.4 10.4 83 60HB F - 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