==== 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 BLOOD CLOTTING,HYDROLASE/INHIBITOR 19-MAY-05 1ZRB . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.J.STAUFFER,P.D.WILLIAMS,H.G.SELNICK,P.G.NANTERMET,C.L.NEWT . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 61.9 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 . 76 26.6 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 . 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 . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.4 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 0 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 . 4 4 0 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 1AA D > 0 0 114 0, 0.0 3,-1.1 0, 0.0 145,-0.1 0.000 360.0 360.0 360.0 4.2 10.1 18.6 19.0 2 1 A a T 3 + 0 0 40 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.145 360.0 22.4 -58.2 154.0 10.9 14.9 19.6 3 2 A G T 3 S+ 0 0 0 141,-2.6 236,-1.9 235,-0.2 2,-0.7 0.520 89.8 114.9 68.1 6.7 8.3 12.6 21.0 4 3 A L < - 0 0 31 -3,-1.1 -1,-0.2 140,-0.3 234,-0.1 -0.932 59.8-143.2-111.9 109.1 5.3 14.7 19.9 5 4 A R > > - 0 0 0 -2,-0.7 5,-2.6 1,-0.1 3,-1.4 -0.562 6.4-140.8 -77.8 128.7 3.3 12.8 17.3 6 5 A P T 3 5S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.841 102.8 43.1 -52.7 -40.7 1.8 14.8 14.4 7 6 A L T 3 5S+ 0 0 26 133,-0.5 31,-0.1 30,-0.3 133,-0.1 0.449 130.2 18.3 -90.4 -0.3 -1.5 12.8 14.4 8 7 A F T X>>S+ 0 0 15 -3,-1.4 5,-2.4 29,-0.1 3,-1.5 0.408 128.5 25.1-129.8 -87.2 -1.9 12.7 18.2 9 8 A E G >45S+ 0 0 30 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.874 120.4 56.7 -52.4 -41.8 -0.1 15.1 20.6 10 9 A K G 34 - 0 0 6 -2,-0.3 3,-0.5 1,-0.1 4,-0.4 -0.378 37.7 -96.0 -80.4 168.8 -4.6 7.0 20.9 16 14AA K T 3 S+ 0 0 148 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.603 114.3 27.1 -63.8 -16.0 -6.7 4.1 22.3 17 14BA T T >> S+ 0 0 33 2,-0.1 3,-1.1 1,-0.1 4,-0.9 0.457 84.6 97.5-129.0 2.7 -4.3 2.8 24.9 18 14CA E H X> S+ 0 0 13 -3,-0.5 4,-2.0 1,-0.3 3,-0.5 0.818 80.5 65.9 -60.9 -29.0 -2.0 5.6 26.1 19 14DA R H 3> S+ 0 0 138 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.864 93.5 59.7 -57.9 -38.4 -4.4 6.1 29.0 20 14EA E H <> S+ 0 0 48 -3,-1.1 4,-0.9 1,-0.2 -1,-0.2 0.865 105.9 48.5 -58.3 -37.0 -3.3 2.6 30.3 21 14FA L H XX S+ 0 0 0 -4,-0.9 3,-0.9 -3,-0.5 4,-0.6 0.960 111.0 48.6 -67.6 -51.2 0.3 3.9 30.4 22 14GA L H >< S+ 0 0 69 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.897 107.8 55.1 -56.7 -43.0 -0.7 7.0 32.3 23 14HA E H 3< S+ 0 0 116 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.772 103.5 56.6 -63.8 -24.6 -2.7 5.1 34.9 24 14IA S H << S+ 0 0 21 -4,-0.9 2,-1.5 -3,-0.9 -1,-0.3 0.593 86.0 83.6 -82.8 -11.1 0.3 2.9 35.6 25 14JA Y << 0 0 26 -3,-1.4 -1,-0.2 -4,-0.6 135,-0.1 -0.641 360.0 360.0 -93.0 80.0 2.4 5.9 36.5 26 14KA I 0 0 113 -2,-1.5 -2,-0.1 0, 0.0 135,-0.1 -0.592 360.0 360.0-109.0 360.0 1.2 6.2 40.1 27 ! 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 28 16 A I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.5 4.6 -9.0 18.9 29 17 A V B +A 219 0A 11 190,-2.7 190,-1.3 1,-0.2 143,-0.1 -0.826 360.0 0.6-100.9 134.6 2.5 -11.7 20.7 30 18 A E S S+ 0 0 117 141,-0.5 -1,-0.2 -2,-0.4 187,-0.2 0.831 101.8 120.7 60.6 35.6 -1.0 -10.8 22.1 31 19 A G - 0 0 30 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.152 54.3-121.6-106.2-154.9 -0.8 -7.2 20.9 32 20 A S E -B 182 0B 53 150,-1.9 150,-2.3 -2,-0.1 2,-0.1 -0.950 35.2 -73.4-148.4 165.8 -3.1 -5.3 18.5 33 21 A D E -B 181 0B 101 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.393 52.8-119.5 -63.2 135.8 -3.0 -3.4 15.3 34 22 A A - 0 0 6 146,-2.8 2,-0.2 59,-0.1 -1,-0.1 -0.405 25.1-114.4 -73.3 152.4 -1.3 -0.0 15.6 35 23 A E > - 0 0 43 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.521 46.9 -82.3 -82.0 157.2 -3.3 3.1 14.8 36 24 A I T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.407 117.0 6.3 -61.2 131.9 -2.1 5.1 11.8 37 25 A G T 3 S+ 0 0 12 2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.602 90.6 128.5 70.1 14.3 0.7 7.4 12.9 38 26 A M S < S+ 0 0 3 -3,-2.0 -2,-0.1 1,-0.3 -33,-0.1 0.829 81.9 22.7 -70.4 -35.2 0.8 5.9 16.4 39 27 A S > + 0 0 10 -4,-0.3 3,-2.4 1,-0.1 -1,-0.3 -0.612 69.5 168.9-132.1 70.4 4.6 5.2 16.4 40 28 A P T 3 S+ 0 0 2 0, 0.0 103,-1.8 0, 0.0 51,-0.2 0.599 77.6 59.0 -59.6 -13.5 6.0 7.7 13.8 41 29 A W T 3 S+ 0 0 1 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.448 77.3 120.4 -94.4 -3.0 9.5 6.8 15.0 42 30 A Q E < -J 58 0C 2 -3,-2.4 49,-1.0 16,-0.2 50,-0.4 -0.414 43.8-170.1 -65.5 133.6 9.2 3.1 14.2 43 31 A V E -JK 57 90C 0 14,-2.4 14,-1.3 47,-0.2 2,-0.5 -0.963 15.5-144.2-127.9 143.5 11.7 2.0 11.6 44 32 A M E -JK 56 89C 0 45,-2.5 45,-2.7 -2,-0.4 2,-0.7 -0.934 10.3-145.2-108.2 126.8 12.0 -1.3 9.7 45 33 A L E -JK 55 88C 0 10,-3.2 9,-2.8 -2,-0.5 10,-1.3 -0.840 26.0-164.5 -88.8 120.0 15.4 -2.7 9.1 46 34 A F E -JK 53 87C 0 41,-3.0 41,-2.6 -2,-0.7 2,-0.4 -0.929 15.2-137.4-116.1 129.6 15.1 -4.3 5.7 47 35 A R E > -JK 52 86C 82 5,-2.6 5,-1.1 -2,-0.5 39,-0.2 -0.684 9.6-147.0 -83.4 130.9 17.5 -6.8 4.1 48 36 A K T 5S+ 0 0 49 37,-2.3 3,-0.4 -2,-0.4 -1,-0.1 0.931 77.5 51.8 -62.6 -49.2 18.1 -6.2 0.4 49 36AA S T 5S+ 0 0 92 1,-0.5 -1,-0.2 36,-0.4 2,-0.1 -0.924 119.6 18.7-148.3 118.9 18.6 -9.8 -0.7 50 37 A P T 5S- 0 0 83 0, 0.0 -1,-0.5 0, 0.0 2,-0.2 0.464 103.7-124.9 -76.4 142.7 16.6 -11.8 -0.1 51 38 A Q T 5 + 0 0 55 -3,-0.4 230,-0.4 -2,-0.1 2,-0.3 -0.335 59.0 126.9 -54.8 114.3 14.1 -9.0 0.6 52 39 A E E < -J 47 0C 69 -5,-1.1 -5,-2.6 -2,-0.2 2,-0.2 -0.989 65.2 -78.2-165.6 162.9 12.9 -9.6 4.1 53 40 A L E +J 46 0C 30 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.511 39.9 174.4 -68.9 131.7 12.3 -8.1 7.5 54 41 A L E - 0 0 20 -9,-2.8 2,-0.3 1,-0.4 -8,-0.2 0.792 54.8 -49.3-105.6 -43.8 15.5 -8.0 9.5 55 42 A b E -J 45 0C 4 -10,-1.3 -10,-3.2 169,-0.1 -1,-0.4 -0.973 52.6 -91.9-177.2 176.4 14.6 -6.1 12.7 56 43 A G E +J 44 0C 2 169,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.470 40.4 167.4 -99.2 175.1 12.9 -3.1 14.1 57 44 A A E -J 43 0C 0 -14,-1.3 -14,-2.4 -2,-0.2 2,-0.3 -0.945 23.9-118.4-171.2 179.4 14.5 0.2 15.0 58 45 A S E -JL 42 66C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.990 14.7-123.8-141.3 150.3 13.7 3.7 15.9 59 46 A L E + L 0 65C 0 -18,-2.2 86,-2.3 -2,-0.3 6,-0.2 -0.795 29.4 167.1 -92.3 121.9 14.2 7.3 14.5 60 47 A I - 0 0 26 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.504 69.3 -6.7-112.5 -6.5 16.0 9.6 16.9 61 48 A S S S- 0 0 35 3,-1.0 3,-0.3 85,-0.1 -1,-0.3 -0.925 88.7 -81.1-168.9 176.7 16.8 12.5 14.6 62 49 A D S S+ 0 0 77 -2,-0.3 74,-2.0 1,-0.2 72,-0.1 0.609 128.2 25.9 -71.1 -6.9 16.6 13.2 10.8 63 50 A R S S+ 0 0 75 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.404 108.2 76.5-134.8 3.1 19.8 11.3 10.2 64 51 A W E - M 0 131C 7 -3,-0.3 -4,-2.1 67,-0.2 -3,-1.0 -0.961 49.2-171.1-125.0 136.9 20.2 8.7 13.0 65 52 A V E -LM 59 130C 0 65,-2.4 65,-2.1 -2,-0.4 2,-0.4 -0.978 11.8-148.5-125.2 134.3 18.5 5.4 13.7 66 53 A L E +LM 58 129C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.3 -0.816 28.5 148.2-103.9 140.0 18.8 3.3 16.9 67 54 A T E - M 0 128C 0 61,-2.4 61,-2.4 -2,-0.4 2,-0.4 -0.883 49.6 -74.0-153.9-177.3 18.6 -0.4 17.0 68 55 A A > - 0 0 0 -12,-0.4 3,-1.7 -2,-0.3 4,-0.5 -0.747 34.6-133.8 -89.5 135.7 19.8 -3.5 18.8 69 56 A A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.3 3,-1.7 0.860 103.8 62.5 -54.7 -38.0 23.4 -4.5 18.1 70 57 A H G 34 S+ 0 0 12 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.694 90.0 68.9 -65.7 -15.5 22.5 -8.2 17.7 71 58 A b G <4 S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.777 116.1 24.6 -70.1 -25.8 20.3 -7.2 14.7 72 59 A L T <4 S+ 0 0 2 -3,-1.7 9,-1.9 -4,-0.5 2,-0.4 0.728 131.4 33.8-107.8 -34.3 23.5 -6.4 12.8 73 60 A L E < +P 80 0D 39 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.947 59.1 138.1-133.1 113.8 26.1 -8.5 14.6 74 60AA Y E > > -P 79 0D 43 5,-2.8 3,-1.8 -2,-0.4 5,-1.7 -0.530 23.8-171.5-155.2 82.1 25.5 -12.0 16.0 75 60BA P G > 5S+ 0 0 45 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.774 80.6 68.3 -43.7 -41.0 28.2 -14.6 15.4 76 60CA P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.862 112.2 32.4 -54.1 -34.3 26.1 -17.5 16.8 77 60DA W G < 5S- 0 0 153 -3,-1.8 -3,-0.0 2,-0.1 0, 0.0 0.139 117.6-109.5-106.0 18.6 23.7 -17.3 13.8 78 60EA D T < 5 + 0 0 154 -3,-2.1 2,-0.5 1,-0.2 -5,-0.0 0.857 66.1 153.1 56.1 40.0 26.4 -16.1 11.3 79 60FA K E < +P 74 0D 38 -5,-1.7 -5,-2.8 1,-0.1 -1,-0.2 -0.884 6.6 140.6-103.0 126.3 25.0 -12.6 11.2 80 60GA N E -P 73 0D 119 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.361 28.8-171.8-162.8 69.4 27.4 -9.8 10.4 81 60HA F - 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