==== 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 18-NOV-03 1RIW . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HANESSIAN,M.TREMBLAY,J.F.W.PETERSEN . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 60.5 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 . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.7 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 1 0 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 7 A A 0 0 126 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.2 14.0 21.0 19.2 2 8 A D > + 0 0 105 144,-0.0 3,-1.5 2,-0.0 145,-0.1 0.109 360.0 141.7-108.7 19.1 10.7 19.5 18.3 3 9 A a T 3 + 0 0 38 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.216 64.7 20.3 -59.5 151.3 11.7 15.9 19.1 4 10 A G T 3 S+ 0 0 0 141,-2.2 237,-1.2 236,-0.2 2,-0.7 0.361 92.4 111.6 73.0 -5.1 9.0 13.8 20.8 5 11 A L < - 0 0 36 -3,-1.5 -1,-0.1 140,-0.2 235,-0.1 -0.894 62.5-141.2-106.0 109.3 6.0 15.9 19.6 6 12 A R > > - 0 0 0 -2,-0.7 5,-2.2 1,-0.1 3,-1.6 -0.501 5.3-140.5 -73.5 127.6 4.0 13.9 17.1 7 13 A P T 3 5S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.907 103.6 43.5 -50.9 -45.2 2.6 15.9 14.2 8 14 A L T 3 5S+ 0 0 31 133,-0.5 31,-0.1 30,-0.3 -2,-0.1 0.466 129.7 18.8 -83.7 -0.8 -0.7 14.0 14.3 9 15 A F T X>>S+ 0 0 13 -3,-1.6 5,-2.0 29,-0.1 3,-1.5 0.404 127.0 24.6-128.6 -91.0 -1.1 14.1 18.1 10 16 A E G >45S+ 0 0 32 1,-0.3 3,-0.8 3,-0.2 -5,-0.1 0.866 121.5 55.4 -48.6 -44.8 0.7 16.4 20.5 11 17 A K G 34> S+ 0 0 48 2,-0.1 3,-1.4 3,-0.0 4,-0.9 0.457 85.6 99.9-133.7 0.1 -3.7 4.4 25.2 19 25 A E H >> S+ 0 0 9 -3,-0.4 4,-1.9 1,-0.3 3,-0.5 0.824 80.6 65.2 -59.0 -27.8 -1.3 7.2 26.1 20 26 A R H 3> S+ 0 0 131 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.850 92.6 62.2 -61.7 -33.5 -3.5 8.0 29.1 21 27 A E H <> S+ 0 0 46 -3,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.894 104.3 47.7 -58.9 -39.7 -2.6 4.5 30.5 22 28 A L H < S+ 0 0 86 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.920 108.5 53.8 -56.6 -45.9 0.3 8.9 32.3 24 30 A E H 3< S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.806 104.2 55.2 -60.8 -31.8 -1.8 7.1 34.9 25 31 A S H 3< S+ 0 0 21 -4,-1.3 2,-2.6 -3,-0.4 -1,-0.2 0.822 85.7 84.1 -73.4 -29.9 1.0 4.8 35.8 26 32 A Y << 0 0 26 -4,-1.3 -1,-0.2 -3,-0.6 136,-0.1 -0.466 360.0 360.0 -74.4 76.6 3.4 7.7 36.6 27 33 A I 0 0 177 -2,-2.6 -1,-0.2 0, 0.0 -2,-0.1 0.774 360.0 360.0 -77.4 360.0 2.1 8.0 40.1 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 37 B I 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.7 4.7 -7.8 19.5 30 38 B V B +A 221 0A 10 191,-3.0 191,-1.5 1,-0.2 143,-0.1 -0.839 360.0 0.6-101.4 133.9 2.8 -10.4 21.3 31 39 B E S S+ 0 0 126 141,-0.6 -1,-0.2 -2,-0.4 188,-0.2 0.863 103.7 123.4 61.2 39.2 -0.6 -9.6 22.8 32 40 B G - 0 0 24 -3,-0.5 2,-0.3 140,-0.1 153,-0.2 -0.212 53.9-114.0-109.6-157.8 -0.5 -6.0 21.5 33 41 B S E -B 184 0B 77 151,-2.6 151,-2.5 -2,-0.1 2,-0.2 -0.941 34.0 -81.2-141.8 163.3 -2.7 -3.9 19.3 34 42 B D E -B 183 0B 100 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.436 50.6-124.2 -63.7 130.5 -2.7 -2.2 15.9 35 43 B A - 0 0 6 147,-3.0 2,-0.1 -2,-0.2 -1,-0.1 -0.391 24.0-114.2 -73.7 156.2 -0.9 1.1 16.2 36 44 B E > - 0 0 40 1,-0.1 3,-1.7 -2,-0.1 4,-0.4 -0.478 43.8 -82.1 -85.4 162.7 -2.8 4.3 15.1 37 45 B I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.460 117.1 5.2 -65.1 134.7 -1.6 6.3 12.1 38 46 B G T 3 S+ 0 0 11 -2,-0.1 -30,-0.3 55,-0.1 -1,-0.3 0.535 92.8 125.8 69.1 6.9 1.2 8.6 13.0 39 47 B M S < S+ 0 0 5 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.826 83.3 22.7 -65.4 -34.4 1.3 7.1 16.6 40 48 B S > + 0 0 14 -4,-0.4 3,-2.1 1,-0.1 -1,-0.3 -0.540 69.1 166.7-135.1 69.4 5.0 6.2 16.4 41 49 B P T 3 S+ 0 0 2 0, 0.0 103,-2.0 0, 0.0 51,-0.2 0.516 76.7 59.0 -63.1 -5.3 6.5 8.6 13.7 42 50 B W T 3 S+ 0 0 3 101,-0.2 18,-2.5 103,-0.1 104,-0.2 0.466 76.5 118.0-101.7 -5.6 10.1 7.7 14.9 43 51 B Q E < -J 59 0C 3 -3,-2.1 49,-0.8 16,-0.2 2,-0.4 -0.406 46.2-167.8 -64.1 134.5 9.6 3.9 14.2 44 52 B V E -JK 58 91C 0 14,-2.5 14,-1.4 47,-0.1 2,-0.5 -0.958 15.3-143.3-127.9 144.4 12.1 2.7 11.6 45 53 B M E -JK 57 90C 0 45,-2.4 45,-2.6 -2,-0.4 2,-0.8 -0.935 10.8-145.7-108.6 122.1 12.2 -0.6 9.7 46 54 B L E -JK 56 89C 1 10,-3.3 9,-2.9 -2,-0.5 10,-1.2 -0.805 25.8-162.3 -86.3 115.5 15.6 -2.1 9.0 47 55 B F E -JK 54 88C 0 41,-3.3 41,-2.6 -2,-0.8 2,-0.4 -0.872 12.6-139.5-108.3 131.7 15.1 -3.7 5.6 48 56 B R E > -JK 53 87C 77 5,-2.8 5,-0.8 -2,-0.4 39,-0.2 -0.703 9.1-147.1 -86.4 135.4 17.4 -6.3 4.1 49 57 B K T 5S+ 0 0 48 37,-2.1 3,-0.2 -2,-0.4 -1,-0.2 0.992 76.1 43.8 -65.8 -63.0 18.0 -5.9 0.4 50 58 B S T 5S+ 0 0 100 1,-0.4 -1,-0.2 36,-0.3 2,-0.1 -0.943 121.4 25.4-141.3 117.6 18.4 -9.5 -0.8 51 59 B P T 5S- 0 0 79 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 0.381 103.5-129.1 -74.0 140.6 16.5 -11.5 0.2 52 60 B Q T 5 + 0 0 54 -3,-0.2 229,-0.3 -2,-0.1 2,-0.3 -0.418 56.7 130.5 -60.3 105.0 14.0 -8.6 0.7 53 61 B E E < -J 48 0C 67 -5,-0.8 -5,-2.8 -2,-0.6 2,-0.2 -0.986 64.3 -87.6-156.2 158.6 12.9 -9.2 4.3 54 62 B L E +J 47 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.486 38.4 177.2 -67.5 135.7 12.4 -7.3 7.6 55 63 B L E - 0 0 31 -9,-2.9 2,-0.3 1,-0.4 170,-0.2 0.793 54.4 -40.8-105.6 -49.9 15.6 -7.4 9.6 56 64 B b E -J 46 0C 5 -10,-1.2 -10,-3.3 170,-0.1 -1,-0.4 -0.968 53.7 -96.5-167.4 173.3 14.8 -5.4 12.7 57 65 B G E +J 45 0C 2 170,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.483 41.2 170.3 -95.0 171.9 13.1 -2.3 14.1 58 66 B A E -J 44 0C 0 -14,-1.4 -14,-2.5 -2,-0.2 2,-0.3 -0.922 23.4-117.9-166.5 179.6 14.9 0.9 14.8 59 67 B S E -JL 43 67C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.6 -0.991 13.1-126.8-140.2 147.3 14.2 4.5 15.7 60 68 B L E + L 0 66C 0 -18,-2.5 86,-2.4 -2,-0.3 6,-0.2 -0.808 29.2 166.9 -93.2 119.5 14.7 8.0 14.2 61 69 B I - 0 0 22 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.466 67.5 -6.5-111.5 -3.7 16.5 10.4 16.5 62 70 B S S S- 0 0 33 3,-0.9 3,-0.3 85,-0.1 -1,-0.2 -0.936 89.3 -78.3-170.9 177.8 17.4 13.2 14.0 63 71 B D S S+ 0 0 76 -2,-0.3 74,-2.5 1,-0.2 72,-0.1 0.657 129.4 22.7 -68.4 -11.2 17.1 13.9 10.3 64 72 B R S S+ 0 0 60 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.392 107.7 80.1-134.2 3.9 20.2 11.7 9.7 65 73 B W E - M 0 132C 16 -3,-0.3 -4,-2.3 67,-0.2 -3,-0.9 -0.957 47.4-173.7-123.8 132.9 20.7 9.3 12.6 66 74 B V E -LM 60 131C 0 65,-2.5 65,-2.3 -2,-0.4 2,-0.4 -0.969 12.0-149.8-123.1 135.0 18.9 6.1 13.3 67 75 B L E +LM 59 130C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.830 28.1 146.9-106.0 141.3 19.3 4.0 16.5 68 76 B T E - M 0 129C 0 61,-2.5 61,-2.0 -2,-0.4 2,-0.4 -0.862 49.5 -69.9-154.5-173.5 18.9 0.2 16.7 69 77 B A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.2 4,-0.5 -0.745 34.0-135.3 -91.3 139.1 20.2 -2.9 18.5 70 78 B A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-1.6 0.863 102.7 62.7 -59.3 -38.7 23.8 -4.0 17.8 71 79 B H G 34 S+ 0 0 31 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.550 91.8 67.3 -67.8 -5.5 22.8 -7.6 17.4 72 80 B b G <4 S+ 0 0 3 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.754 116.4 24.6 -80.1 -27.7 20.6 -6.6 14.4 73 81 B L T <4 S+ 0 0 1 -3,-1.6 9,-2.0 -4,-0.5 2,-0.4 0.732 128.7 35.6-106.6 -31.8 23.8 -5.8 12.5 74 82 B L E < +P 81 0D 29 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.970 50.0 137.2-137.2 123.4 26.5 -7.9 14.2 75 83 B Y E > > -P 80 0D 64 5,-2.8 3,-2.4 -2,-0.4 5,-1.6 -0.439 21.7-172.8-160.8 78.0 26.4 -11.4 15.7 76 84 B P G > 5S+ 0 0 49 0, 0.0 3,-1.8 0, 0.0 5,-0.1 0.731 79.6 70.9 -43.7 -37.8 29.5 -13.5 14.8 77 85 B P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.795 112.1 32.7 -56.6 -24.2 28.2 -16.7 16.3 78 86 B W G < 5S- 0 0 188 -3,-2.4 3,-0.1 2,-0.1 0, 0.0 0.254 119.1-112.2-109.6 5.1 25.7 -16.8 13.4 79 87 B D T < 5 + 0 0 150 -3,-1.8 2,-0.6 -4,-0.2 -5,-0.0 0.794 64.2 154.2 65.5 31.0 28.2 -15.2 11.0 80 88 B K E < +P 75 0D 52 -5,-1.6 -5,-2.8 1,-0.1 -1,-0.2 -0.818 5.3 144.9 -93.6 123.0 26.1 -12.0 10.8 81 89 B N E -P 74 0D 123 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.410 29.0-165.5-155.0 65.7 28.2 -8.9 10.0 82 90 B F - 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