==== 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 27-AUG-07 2R2M . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.SPURLINO . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13139.0 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 . 77 26.9 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.2 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 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 . 5 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 7 A A 0 0 130 0, 0.0 145,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.8 13.7 19.6 19.9 2 8 A D > + 0 0 67 143,-0.1 3,-1.1 3,-0.0 144,-0.1 0.125 360.0 145.4-111.3 15.7 10.3 18.5 18.9 3 9 A a T 3 + 0 0 30 1,-0.2 142,-0.2 142,-0.1 143,-0.1 -0.098 57.0 18.5 -58.5 148.8 10.9 14.9 19.9 4 10 A G T 3 S+ 0 0 0 140,-2.5 235,-1.4 234,-0.2 2,-0.6 0.509 91.2 112.8 76.0 4.4 8.2 12.6 21.4 5 11 A L < - 0 0 30 -3,-1.1 -1,-0.2 139,-0.3 233,-0.1 -0.932 60.2-142.7-113.5 111.7 5.2 14.7 20.2 6 12 A R > > - 0 0 0 -2,-0.6 5,-2.3 1,-0.1 3,-1.3 -0.565 7.4-141.1 -80.1 128.4 3.2 12.9 17.5 7 13 A P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.861 104.0 42.6 -48.3 -41.3 1.7 15.0 14.7 8 14 A L T 3 5S+ 0 0 31 132,-0.5 30,-0.1 29,-0.3 132,-0.0 0.463 129.7 19.0 -93.1 -1.4 -1.5 13.0 14.8 9 15 A F T X>>S+ 0 0 13 -3,-1.3 5,-2.2 28,-0.1 3,-1.7 0.430 127.3 26.6-127.9 -88.6 -1.9 12.8 18.5 10 16 A E G >45S+ 0 0 31 1,-0.3 3,-1.2 3,-0.2 -5,-0.1 0.870 120.4 55.3 -49.1 -44.3 -0.2 15.2 20.9 11 17 A K G 34 - 0 0 6 -2,-0.3 3,-0.5 22,-0.1 4,-0.4 -0.367 38.3 -96.5 -77.8 165.9 -4.6 7.1 21.3 17 23 A K T 3 S+ 0 0 163 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.646 113.5 24.1 -60.2 -23.0 -6.7 4.2 22.5 18 24 A T T >> S+ 0 0 46 2,-0.1 3,-0.9 1,-0.1 4,-0.8 0.388 84.7 101.4-130.1 4.9 -4.5 2.9 25.3 19 25 A E H <> S+ 0 0 2 -3,-0.5 4,-1.7 1,-0.3 3,-0.5 0.804 76.9 66.5 -63.2 -27.1 -2.2 5.7 26.5 20 26 A R H 3> S+ 0 0 132 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.873 92.8 61.3 -60.9 -38.2 -4.4 6.3 29.5 21 27 A E H <> S+ 0 0 43 -3,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.889 105.1 48.2 -53.7 -43.8 -3.4 2.8 30.7 22 28 A L H >X S+ 0 0 0 -4,-0.8 3,-1.3 -3,-0.5 4,-0.8 0.970 112.6 46.5 -60.1 -55.5 0.2 4.1 30.8 23 29 A L H >< S+ 0 0 54 -4,-1.7 3,-0.7 1,-0.3 -2,-0.2 0.848 108.2 56.5 -60.1 -36.1 -0.6 7.3 32.7 24 30 A E H 3< S+ 0 0 142 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.695 102.2 57.1 -71.5 -17.4 -2.8 5.5 35.2 25 31 A S H << 0 0 26 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.711 360.0 360.0 -83.1 -21.4 0.1 3.2 36.1 26 32 A Y << 0 0 75 -4,-0.8 -3,-0.1 -3,-0.7 -2,-0.1 0.656 360.0 360.0 -79.4 360.0 2.4 6.2 37.1 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 37 B I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 131.8 4.4 -9.1 19.5 29 38 B V B +A 219 0A 2 190,-2.9 190,-1.4 1,-0.2 143,-0.1 -0.880 360.0 1.8-107.3 132.0 2.3 -11.6 21.4 30 39 B E S S+ 0 0 101 141,-0.5 -1,-0.2 -2,-0.5 187,-0.2 0.834 101.2 126.3 64.0 35.6 -1.1 -10.8 22.8 31 40 B G - 0 0 24 -3,-0.4 2,-0.3 140,-0.1 152,-0.2 -0.303 52.7-118.5-106.0-166.6 -1.0 -7.2 21.4 32 41 B S E -B 182 0B 77 150,-2.5 150,-2.7 -2,-0.1 2,-0.1 -0.904 35.8 -83.0-131.8 161.0 -3.3 -5.1 19.2 33 42 B D E -B 181 0B 106 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.426 50.2-121.8 -58.6 132.6 -3.1 -3.4 15.9 34 43 B A - 0 0 6 146,-3.0 2,-0.2 59,-0.1 -1,-0.1 -0.437 24.6-115.0 -69.6 153.3 -1.4 -0.0 16.2 35 44 B E > - 0 0 47 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.545 46.0 -80.8 -79.7 157.3 -3.4 3.0 15.1 36 45 B I T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.391 117.3 6.4 -57.6 129.3 -2.1 5.1 12.2 37 46 B G T 3 S+ 0 0 13 55,-0.1 -29,-0.3 2,-0.1 -1,-0.3 0.542 89.2 126.7 74.7 6.6 0.7 7.4 13.4 38 47 B M S < S+ 0 0 5 -3,-1.9 -2,-0.1 1,-0.3 -32,-0.1 0.806 84.6 22.8 -63.9 -32.3 0.8 5.9 16.9 39 48 B S > + 0 0 11 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.560 67.1 167.6-136.1 71.4 4.5 5.2 16.7 40 49 B P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.1 0.578 77.8 59.8 -67.5 -6.8 6.0 7.6 14.1 41 50 B W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 2,-0.1 0.485 76.6 117.5 -95.1 -7.2 9.6 6.7 15.4 42 51 B Q E < -J 58 0C 3 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.409 45.9-170.5 -65.2 131.4 9.1 3.0 14.6 43 52 B V E -JK 57 90C 0 14,-2.2 14,-1.4 47,-0.2 2,-0.5 -0.941 15.3-141.5-124.3 146.9 11.6 1.8 12.0 44 53 B M E -JK 56 89C 0 45,-2.3 45,-2.5 -2,-0.4 2,-0.6 -0.942 9.7-144.6-107.8 127.5 11.9 -1.4 10.1 45 54 B L E -JK 55 88C 0 10,-2.8 9,-3.0 -2,-0.5 10,-1.0 -0.838 25.8-167.1 -88.7 120.0 15.3 -3.0 9.4 46 55 B F E -JK 53 87C 0 41,-3.4 41,-2.8 -2,-0.6 2,-0.3 -0.930 16.1-137.2-121.6 126.9 15.0 -4.6 6.0 47 56 B R E > -JK 52 86C 72 5,-3.0 5,-0.8 -2,-0.5 39,-0.2 -0.602 9.3-144.9 -80.2 137.8 17.4 -7.1 4.4 48 57 B K T 5S+ 0 0 24 37,-2.0 3,-0.3 -2,-0.3 -1,-0.1 0.932 78.5 43.5 -68.0 -47.4 18.1 -6.5 0.7 49 58 B S T 5S+ 0 0 92 1,-0.5 -1,-0.3 36,-0.3 2,-0.2 -0.892 119.7 22.7-161.3 125.3 18.4 -10.1 -0.3 50 59 B P T 5S- 0 0 77 0, 0.0 2,-0.5 0, 0.0 -1,-0.5 0.553 105.4-125.5 -65.5 147.2 16.7 -12.3 0.5 51 60 B Q T 5 + 0 0 55 -3,-0.3 2,-0.3 -2,-0.2 229,-0.3 -0.526 56.1 132.0 -67.7 115.2 14.2 -9.5 1.1 52 61 B E E < -J 47 0C 72 -5,-0.8 -5,-3.0 -2,-0.5 2,-0.4 -0.991 61.4 -90.4-159.2 163.2 13.0 -9.9 4.7 53 62 B L E +J 46 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.674 37.1 174.3 -77.2 126.3 12.3 -8.2 8.0 54 63 B L E - 0 0 25 -9,-3.0 2,-0.3 -2,-0.4 169,-0.2 0.846 54.9 -41.4 -96.0 -48.2 15.4 -8.3 10.2 55 64 B b E -J 45 0C 3 -10,-1.0 -10,-2.8 169,-0.1 -1,-0.4 -0.950 54.5 -94.9-166.6 172.9 14.4 -6.3 13.3 56 65 B G E +J 44 0C 2 169,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.526 39.3 172.8 -95.3 174.7 12.7 -3.1 14.6 57 66 B A E -J 43 0C 0 -14,-1.4 -14,-2.2 -2,-0.2 2,-0.3 -0.917 22.0-118.0-165.6-179.8 14.5 0.1 15.3 58 67 B S E -JL 42 66C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.6 -0.998 12.5-128.2-142.2 143.8 13.8 3.7 16.3 59 68 B L E + L 0 65C 0 -18,-2.1 86,-2.2 -2,-0.3 6,-0.2 -0.772 28.5 167.6 -87.7 121.4 14.3 7.2 14.8 60 69 B I - 0 0 24 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.487 68.4 -6.5-112.9 -7.3 16.0 9.5 17.3 61 70 B S S S- 0 0 33 3,-1.1 -1,-0.2 85,-0.1 3,-0.2 -0.939 92.0 -71.9-165.8-173.8 16.8 12.3 14.9 62 71 B D S S+ 0 0 75 -2,-0.3 74,-3.0 1,-0.2 72,-0.1 0.689 128.8 12.2 -70.0 -16.7 16.7 13.2 11.2 63 72 B R S S+ 0 0 56 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.318 107.6 88.6-141.2 16.3 19.6 10.8 10.4 64 73 B W E - M 0 131C 18 67,-0.2 -4,-2.1 -3,-0.2 -3,-1.1 -0.952 48.3-171.0-116.8 134.4 20.3 8.6 13.4 65 74 B V E -LM 59 130C 0 65,-2.2 65,-1.9 -2,-0.4 2,-0.4 -0.982 10.3-149.5-125.1 130.4 18.5 5.3 14.1 66 75 B L E +LM 58 129C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.3 -0.802 30.4 145.0-101.1 138.0 18.8 3.3 17.3 67 76 B T E - M 0 128C 0 61,-2.4 61,-2.2 -2,-0.4 2,-0.4 -0.894 49.4 -73.1-154.1-176.9 18.5 -0.5 17.4 68 77 B A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.3 4,-0.4 -0.744 30.5-138.3 -90.9 135.9 19.8 -3.7 19.1 69 78 B A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-2.3 0.878 101.7 63.9 -56.9 -40.7 23.4 -4.9 18.4 70 79 B H G 34 S+ 0 0 17 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.723 90.5 68.6 -62.9 -17.1 22.3 -8.5 18.1 71 80 B b G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.753 116.5 23.1 -66.8 -26.3 20.2 -7.5 15.1 72 81 B L T <4 S+ 0 0 1 -3,-2.3 9,-2.3 -4,-0.4 2,-0.5 0.765 129.0 36.3-107.9 -39.5 23.5 -6.9 13.2 73 82 B L E < +P 80 0D 39 -4,-2.8 -1,-0.2 7,-0.2 7,-0.2 -0.934 56.1 136.2-130.0 109.5 26.1 -8.9 15.0 74 83 B Y E > > -P 79 0D 48 5,-3.4 3,-2.3 -2,-0.5 5,-1.8 -0.534 21.7-175.9-152.1 83.5 25.6 -12.4 16.5 75 84 B P G > 5S+ 0 0 48 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.754 78.6 70.2 -52.8 -36.9 28.4 -14.9 15.6 76 85 B P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.737 112.0 34.2 -57.1 -19.7 26.7 -17.9 17.3 77 86 B W G < 5S- 0 0 176 -3,-2.3 3,-0.1 2,-0.1 -3,-0.0 0.081 116.7-111.5-116.3 20.0 24.2 -17.7 14.4 78 87 B D T < 5 + 0 0 155 -3,-2.4 2,-0.6 1,-0.2 -5,-0.0 0.810 67.4 151.4 54.1 32.2 26.7 -16.6 11.8 79 88 B K E < +P 74 0D 44 -5,-1.8 -5,-3.4 -9,-0.0 -1,-0.2 -0.857 3.5 142.6 -98.2 119.3 24.9 -13.2 11.7 80 89 B N E -P 73 0D 112 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.493 23.5-176.0-155.8 79.4 27.2 -10.2 10.8 81 90 B F - 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