==== 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/HYDROLASE INHIBITOR 23-OCT-00 1G37 . COMPND 2 MOLECULE: ALPHA THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.BACHAND,M.TARAZI,Y.ST-DENIS,J.J.EDMUNDS,P.D.WINOCOUR,L.LEB . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 61.2 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 . 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 . 21 7.3 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 . 26 9.1 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 0 1 0 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 1BA A 0 0 127 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-138.1 13.5 49.6 20.7 2 1AA D > + 0 0 81 144,-0.1 3,-1.3 3,-0.0 145,-0.1 0.177 360.0 137.3-114.4 9.0 10.2 48.8 19.1 3 1 A a T 3 + 0 0 22 1,-0.2 143,-0.2 143,-0.1 3,-0.1 -0.109 59.1 17.7 -60.1 148.4 10.8 45.2 20.1 4 2 A G T 3 S+ 0 0 0 141,-2.4 237,-1.0 236,-0.2 2,-0.7 0.401 91.8 112.0 75.1 -3.8 8.2 42.9 21.5 5 3 A L < - 0 0 36 -3,-1.3 -1,-0.2 140,-0.3 235,-0.1 -0.913 61.3-143.6-104.2 111.9 5.3 45.1 20.4 6 4 A R > > - 0 0 0 -2,-0.7 5,-2.4 1,-0.1 3,-1.1 -0.592 8.1-138.0 -81.6 134.0 3.3 43.3 17.7 7 5 A P T 3 5S+ 0 0 17 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.892 104.1 41.8 -52.2 -42.8 1.8 45.3 14.8 8 6 A L T 3 5S+ 0 0 33 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.506 130.0 19.5 -91.5 -1.0 -1.5 43.4 14.9 9 7 A F T X>>S+ 0 0 13 -3,-1.1 5,-2.7 29,-0.1 3,-0.9 0.511 126.7 28.1-126.4 -82.3 -1.9 43.2 18.7 10 8 A E G >45S+ 0 0 32 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.893 119.6 54.4 -53.8 -47.2 -0.1 45.6 21.1 11 9 A K G 34 - 0 0 6 -2,-0.4 3,-0.5 1,-0.1 4,-0.4 -0.308 37.9 -95.5 -75.4 172.6 -4.5 37.4 21.4 17 14AA K T 3 S+ 0 0 178 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.635 114.6 24.3 -68.8 -19.2 -6.7 34.5 22.5 18 14BA T T >> S+ 0 0 40 2,-0.1 3,-1.1 1,-0.1 4,-0.8 0.380 84.9 100.9-129.2 8.9 -4.5 33.1 25.3 19 14CA E H X> S+ 0 0 5 -3,-0.5 4,-2.0 1,-0.3 3,-0.6 0.846 77.0 67.4 -66.3 -26.9 -2.2 35.9 26.5 20 14DA R H 3> S+ 0 0 174 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.862 92.5 61.4 -54.9 -37.7 -4.4 36.4 29.5 21 14EA E H <> S+ 0 0 51 -3,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.885 106.1 45.7 -58.6 -40.1 -3.3 32.9 30.7 22 14FA L H XX S+ 0 0 0 -4,-0.8 3,-1.2 -3,-0.6 4,-0.6 0.970 113.7 46.9 -67.7 -52.2 0.3 34.1 30.9 23 14GA L H >< S+ 0 0 51 -4,-2.0 3,-1.0 1,-0.3 -2,-0.2 0.854 107.5 57.4 -62.1 -34.4 -0.5 37.3 32.7 24 14HA E H 3< S+ 0 0 121 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.728 104.4 53.5 -68.9 -19.7 -2.8 35.6 35.2 25 14IA S H << S+ 0 0 22 -3,-1.2 2,-2.1 -4,-0.6 -1,-0.3 0.603 81.4 95.8 -88.8 -11.8 0.1 33.4 36.2 26 14JA Y << 0 0 18 -3,-1.0 -1,-0.2 -4,-0.6 136,-0.1 -0.471 360.0 360.0 -83.9 70.6 2.4 36.3 36.9 27 14KA I 0 0 180 -2,-2.1 -1,-0.1 -3,-0.0 134,-0.0 0.102 360.0 360.0 133.7 360.0 1.7 36.4 40.7 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 A I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 127.9 4.2 21.3 19.4 30 17 A V B -A 221 0A 10 191,-3.0 191,-1.3 1,-0.2 143,-0.1 -0.846 360.0 -0.8 -98.2 129.2 2.2 18.7 21.3 31 18 A E S S+ 0 0 122 141,-0.5 -1,-0.2 -2,-0.5 188,-0.2 0.792 101.6 122.6 64.6 32.0 -1.2 19.7 22.7 32 19 A G - 0 0 28 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.262 53.3-122.9-102.4-164.4 -1.0 23.3 21.4 33 20 A S E -B 184 0B 64 151,-2.5 151,-2.6 -2,-0.1 2,-0.1 -0.905 35.2 -74.3-138.4 168.6 -3.4 25.2 19.1 34 21 A D E -B 183 0B 102 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.387 51.0-122.4 -62.2 136.7 -3.2 27.1 15.8 35 22 A A - 0 0 5 147,-3.2 2,-0.2 59,-0.1 -1,-0.1 -0.437 22.6-115.7 -75.5 153.6 -1.5 30.4 16.2 36 23 A E > - 0 0 50 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.552 45.8 -84.5 -80.3 156.5 -3.4 33.6 15.1 37 24 A I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.424 116.0 8.4 -63.8 134.4 -2.0 35.5 12.2 38 25 A G T 3 S+ 0 0 12 55,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.559 89.9 125.6 72.4 10.6 0.8 37.9 13.4 39 26 A M S < S+ 0 0 5 -3,-1.8 -2,-0.1 1,-0.3 -23,-0.1 0.790 85.0 21.4 -70.9 -30.4 0.8 36.3 17.0 40 27 A S > + 0 0 12 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.566 69.3 167.9-136.8 72.3 4.6 35.6 16.9 41 28 A P T 3 S+ 0 0 2 0, 0.0 103,-1.9 0, 0.0 51,-0.2 0.571 76.4 61.5 -67.1 -6.9 6.1 38.0 14.2 42 29 A W T 3 S+ 0 0 1 101,-0.2 18,-2.1 103,-0.1 2,-0.1 0.435 77.0 119.8 -94.3 -2.3 9.6 37.1 15.5 43 30 A Q E < -J 59 0C 4 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.431 43.4-171.7 -69.1 133.0 9.1 33.4 14.6 44 31 A V E -JK 58 91C 0 14,-2.1 14,-1.4 47,-0.2 2,-0.5 -0.950 16.3-142.4-126.2 145.7 11.7 32.1 12.0 45 32 A M E -JK 57 90C 0 45,-2.3 45,-2.3 -2,-0.4 2,-0.7 -0.943 10.2-145.1-107.0 127.2 11.9 28.9 10.2 46 33 A L E -JK 56 89C 1 10,-3.2 9,-3.3 -2,-0.5 10,-1.1 -0.864 27.2-171.0 -89.2 118.4 15.3 27.3 9.5 47 34 A F E -JK 54 88C 0 41,-3.0 41,-2.6 -2,-0.7 2,-0.3 -0.934 18.6-135.5-121.2 128.6 15.0 25.7 6.2 48 35 A R E > -JK 53 87C 67 5,-3.0 5,-0.9 -2,-0.5 39,-0.2 -0.619 8.7-146.9 -81.3 140.1 17.4 23.4 4.4 49 36 A K T 5S+ 0 0 27 37,-2.0 -1,-0.1 -2,-0.3 38,-0.1 0.954 79.6 46.2 -69.5 -53.6 18.1 24.0 0.7 50 36AA S T 5S+ 0 0 94 36,-0.3 -1,-0.2 1,-0.3 2,-0.2 -0.906 123.1 21.1-146.8 112.7 18.7 20.5 -0.4 51 37 A P T 5S- 0 0 76 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.580 102.9-126.7 -68.7 159.7 16.8 18.5 0.4 52 38 A Q T 5 + 0 0 59 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.684 54.5 134.8 -76.3 115.1 14.1 21.1 1.2 53 39 A E E < -J 48 0C 71 -5,-0.9 -5,-3.0 -2,-0.7 2,-0.5 -0.991 61.4 -96.5-160.9 153.6 13.0 20.5 4.7 54 40 A L E +J 47 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.651 37.8 175.8 -72.2 123.7 12.3 22.2 8.0 55 41 A L E - 0 0 29 -9,-3.3 2,-0.3 -2,-0.5 170,-0.2 0.840 54.0 -42.4 -96.2 -43.5 15.3 22.0 10.2 56 42 A b E -J 46 0C 5 -10,-1.1 -10,-3.2 170,-0.1 -1,-0.4 -0.968 55.8 -92.9-174.4 169.4 14.4 24.0 13.3 57 43 A G E +J 45 0C 2 170,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.445 39.1 170.7 -92.4 175.2 12.8 27.1 14.6 58 44 A A E -J 44 0C 0 -14,-1.4 -14,-2.1 -2,-0.2 2,-0.3 -0.930 22.3-119.4-168.2 179.7 14.5 30.4 15.4 59 45 A S E -JL 43 67C 0 8,-2.0 8,-2.7 -2,-0.3 2,-0.6 -0.990 13.7-124.6-142.2 150.6 13.7 34.0 16.3 60 46 A L E + L 0 66C 0 -18,-2.1 86,-2.3 -2,-0.3 6,-0.2 -0.822 29.6 166.8 -93.3 119.1 14.2 37.5 14.9 61 47 A I - 0 0 24 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.543 68.9 -7.8-111.0 -10.4 16.0 39.8 17.4 62 48 A S S S- 0 0 32 3,-1.2 -1,-0.2 85,-0.1 3,-0.1 -0.916 86.6 -79.8-161.0-172.1 16.8 42.6 15.0 63 49 A D S S+ 0 0 67 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.664 129.5 25.6 -71.4 -16.5 16.7 43.4 11.3 64 50 A R S S+ 0 0 46 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.433 109.3 78.6-123.9 -6.6 19.9 41.5 10.7 65 51 A W E - M 0 132C 14 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.2 -0.939 45.5-174.0-125.9 134.1 20.1 38.9 13.5 66 52 A V E -LM 60 131C 0 65,-2.4 65,-2.1 -2,-0.4 2,-0.4 -0.942 13.4-150.5-119.2 137.7 18.5 35.5 14.1 67 53 A L E +LM 59 130C 0 -8,-2.7 -8,-2.0 -2,-0.4 2,-0.3 -0.888 28.8 144.7-108.9 137.9 18.8 33.5 17.3 68 54 A T E - M 0 129C 0 61,-2.5 61,-2.3 -2,-0.4 2,-0.4 -0.889 50.8 -71.4-153.7-177.2 18.6 29.7 17.5 69 55 A A > - 0 0 0 -12,-0.4 3,-1.7 -2,-0.3 4,-0.4 -0.706 33.2-135.3 -85.8 137.1 20.0 26.6 19.2 70 56 A A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.3 3,-2.1 0.872 103.5 64.2 -57.4 -36.5 23.6 25.6 18.4 71 57 A H G 34 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.653 89.0 68.1 -66.8 -13.9 22.5 22.0 18.1 72 58 A b G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.738 117.1 24.3 -71.7 -22.2 20.4 22.9 15.1 73 59 A L T <4 S+ 0 0 1 -3,-2.1 9,-3.0 -4,-0.4 2,-0.4 0.724 130.4 32.7-110.7 -33.5 23.6 23.6 13.3 74 60 A L E < +P 81 0D 36 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.962 53.0 140.9-138.8 115.1 26.2 21.5 15.0 75 60AA Y E > > -P 80 0D 50 5,-2.8 3,-2.1 -2,-0.4 5,-1.6 -0.518 22.4-171.5-153.5 80.7 25.8 18.2 16.6 76 60BA P G > 5S+ 0 0 44 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.744 80.7 66.2 -43.6 -42.5 28.8 15.8 15.9 77 60CA P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.834 111.8 37.1 -53.0 -32.9 27.2 12.6 17.4 78 60DA W G < 5S- 0 0 179 -3,-2.1 3,-0.1 2,-0.1 -3,-0.0 0.062 117.9-111.3-106.6 22.1 24.6 12.8 14.5 79 60EA D T < 5 + 0 0 157 -3,-2.3 2,-0.6 1,-0.2 -5,-0.0 0.865 66.1 154.4 50.0 40.5 27.1 14.0 12.0 80 60FA K E < +P 75 0D 44 -5,-1.6 -5,-2.8 2,-0.0 -1,-0.2 -0.895 6.5 143.1-103.4 125.2 25.4 17.3 11.9 81 60GA N E -P 74 0D 112 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.544 23.1-174.0-159.7 83.2 27.4 20.4 10.8 82 60HA F - 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