==== 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 01-NOV-04 1WBG . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.J.HARTSHORN,C.W.MURRAY,A.CLEASBY,M.FREDERICKSON,I.J.TICKLE . 292 7 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 61.6 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 26.0 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 . 3 1.0 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.2 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 0 1 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 1DA G 0 0 115 0, 0.0 2,-0.2 0, 0.0 150,-0.1 0.000 360.0 360.0 360.0-132.5 4.2 50.7 49.0 2 1CA E > - 0 0 84 63,-0.4 3,-2.1 148,-0.2 64,-0.0 -0.453 360.0-135.5 -65.1 128.2 6.5 51.5 52.0 3 1BA A T 3 S+ 0 0 79 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 0.813 104.0 41.3 -53.7 -33.4 8.7 54.5 50.8 4 1AA D T > S+ 0 0 58 146,-0.1 3,-1.2 2,-0.0 -1,-0.3 0.251 87.6 139.7-100.9 11.0 11.8 52.9 52.3 5 1 A a T < + 0 0 12 -3,-2.1 145,-0.2 1,-0.2 146,-0.1 -0.147 63.4 12.1 -66.5 146.7 11.1 49.3 51.2 6 2 A G T 3 S+ 0 0 0 143,-2.8 238,-2.3 237,-0.2 2,-0.6 0.561 91.5 115.4 74.5 9.8 13.7 47.0 49.9 7 3 A L < - 0 0 35 -3,-1.2 -1,-0.2 142,-0.3 236,-0.1 -0.955 59.6-142.2-114.1 113.4 16.7 49.1 50.9 8 4 A R > > - 0 0 0 -2,-0.6 5,-2.6 1,-0.1 3,-1.5 -0.602 6.7-141.2 -84.5 128.1 18.7 47.3 53.5 9 5 A P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.854 104.3 43.6 -49.5 -40.3 20.3 49.3 56.4 10 6 A L T 3 5S+ 0 0 28 135,-0.5 33,-0.1 32,-0.3 135,-0.1 0.457 131.1 17.9 -89.9 1.2 23.5 47.2 56.3 11 7 A F T X>>S+ 0 0 14 -3,-1.5 5,-2.5 31,-0.1 3,-1.6 0.403 129.4 25.0-132.0 -87.4 23.8 47.2 52.5 12 8 A E G >45S+ 0 0 31 1,-0.3 3,-1.2 3,-0.2 -5,-0.1 0.864 119.9 56.1 -54.9 -42.9 22.0 49.7 50.3 13 9 A K G 34 - 0 0 5 -2,-0.4 3,-0.6 25,-0.1 4,-0.4 -0.313 34.2 -96.7 -81.1 168.7 26.7 41.7 49.5 19 14AA K T 3 S+ 0 0 169 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.636 113.7 19.6 -65.7 -21.9 28.8 38.8 48.3 20 14BA T T >> S+ 0 0 48 2,-0.1 3,-0.8 1,-0.0 4,-0.6 0.322 86.3 101.6-133.6 9.2 26.5 37.4 45.6 21 14CA E H X> S+ 0 0 15 -3,-0.6 4,-1.7 1,-0.2 3,-0.8 0.807 80.2 64.8 -65.5 -26.8 24.0 40.2 44.6 22 14DA R H 3> S+ 0 0 127 -4,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.848 90.4 63.8 -63.8 -33.6 26.2 40.8 41.5 23 14EA E H <> S+ 0 0 52 -3,-0.8 4,-0.7 1,-0.2 -1,-0.3 0.825 104.7 48.5 -56.2 -33.7 25.3 37.3 40.3 24 14FA L H XX S+ 0 0 0 -3,-0.8 3,-0.8 -4,-0.6 4,-0.5 0.923 110.6 48.7 -71.8 -48.5 21.7 38.5 40.1 25 14GA L H >< S+ 0 0 100 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.873 107.6 55.9 -57.6 -41.1 22.7 41.7 38.2 26 14HA E H 3< S+ 0 0 129 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.745 104.3 53.5 -66.4 -24.8 24.7 39.7 35.8 27 14IA S H << S+ 0 0 16 -3,-0.8 2,-1.5 -4,-0.7 -1,-0.2 0.553 85.3 85.9 -84.5 -13.0 21.7 37.5 34.9 28 14JA Y << + 0 0 13 -3,-1.1 2,-3.8 -4,-0.5 -1,-0.2 -0.353 48.7 162.0 -89.4 57.4 19.5 40.5 34.0 29 14KA I - 0 0 128 -2,-1.5 -1,-0.1 2,-0.2 -3,-0.1 -0.079 60.7-114.1 -72.7 50.3 20.8 40.7 30.5 30 14LA D 0 0 95 -2,-3.8 -1,-0.2 133,-0.0 -2,-0.1 0.707 360.0 360.0 -11.4 72.1 17.6 42.7 29.9 31 14MA G 0 0 57 129,-0.1 -2,-0.2 133,-0.1 129,-0.0 -0.518 360.0 360.0 177.6 360.0 16.3 39.9 27.7 32 !* 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 33 16 B I 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 121.9 18.0 25.4 51.5 34 17 B V B +A 224 0A 11 190,-2.6 190,-1.4 1,-0.2 143,-0.1 -0.818 360.0 1.7 -94.6 133.6 20.1 22.8 49.7 35 18 B E S S+ 0 0 128 141,-0.5 -1,-0.2 -2,-0.4 187,-0.2 0.793 100.1 131.2 60.6 33.3 23.5 23.9 48.3 36 19 B G - 0 0 24 -3,-0.5 2,-0.3 152,-0.1 152,-0.2 -0.096 51.3-121.7 -89.1-164.2 23.2 27.4 49.7 37 20 B S E -B 187 0B 78 150,-1.9 150,-2.4 -3,-0.1 2,-0.1 -0.935 37.4 -82.3-132.1 160.4 25.6 29.5 51.7 38 21 B D E -B 186 0B 100 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.442 52.0-117.2 -55.7 130.4 25.3 31.1 55.1 39 22 B A - 0 0 6 146,-3.0 2,-0.2 -2,-0.1 -1,-0.1 -0.346 26.4-115.6 -63.4 149.9 23.5 34.5 54.8 40 23 B E > - 0 0 39 1,-0.1 3,-1.7 -2,-0.0 4,-0.3 -0.499 45.8 -81.5 -77.3 160.9 25.5 37.6 55.7 41 24 B I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.462 116.9 5.4 -64.4 131.5 24.2 39.6 58.7 42 25 B G T 3 S+ 0 0 12 -2,-0.2 -32,-0.3 2,-0.1 -1,-0.3 0.629 92.6 127.1 70.3 14.8 21.3 41.9 57.7 43 26 B M S < S+ 0 0 6 -3,-1.7 -2,-0.1 1,-0.3 -35,-0.1 0.824 83.2 21.0 -74.9 -28.1 21.3 40.4 54.2 44 27 B S S > S+ 0 0 11 -4,-0.3 3,-1.9 102,-0.1 -1,-0.3 -0.606 70.4 165.6-139.0 71.8 17.6 39.5 54.3 45 28 B P T 3 S+ 0 0 2 0, 0.0 103,-2.2 0, 0.0 51,-0.1 0.523 74.1 61.8 -78.3 -2.9 16.1 41.8 56.9 46 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.4 103,-0.1 2,-0.2 0.351 77.4 120.9 -92.2 -1.0 12.5 41.1 55.8 47 30 B Q E < -J 63 0C 2 -3,-1.9 49,-1.0 16,-0.2 50,-0.4 -0.501 43.0-172.0 -69.5 132.9 13.0 37.4 56.6 48 31 B V E -JK 62 95C 0 14,-2.2 14,-1.1 -2,-0.2 2,-0.5 -0.925 16.9-141.1-125.9 141.8 10.5 36.1 59.2 49 32 B M E -JK 61 94C 0 45,-2.5 45,-2.7 -2,-0.4 2,-0.7 -0.951 12.5-142.6-102.9 128.3 10.4 32.8 61.0 50 33 B L E -JK 60 93C 0 10,-3.0 9,-3.1 -2,-0.5 10,-1.0 -0.831 28.2-166.6 -89.1 117.7 7.0 31.3 61.5 51 34 B F E -JK 58 92C 0 41,-3.6 41,-2.8 -2,-0.7 2,-0.4 -0.917 18.9-135.9-120.8 129.1 7.2 29.7 64.9 52 35 B R E > -JK 57 91C 80 5,-3.1 5,-1.0 -2,-0.4 39,-0.2 -0.695 11.9-147.0 -80.0 130.6 4.9 27.2 66.6 53 36 B K T 5S+ 0 0 36 37,-2.7 -1,-0.1 -2,-0.4 38,-0.1 0.967 79.1 47.2 -61.0 -55.3 4.2 28.0 70.3 54 37 B S T 5S+ 0 0 103 36,-0.4 -1,-0.2 1,-0.3 2,-0.1 -0.964 120.1 21.1-144.3 118.4 3.9 24.4 71.5 55 37AB P T 5S- 0 0 76 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.625 103.6-119.3 -71.8 162.3 5.8 22.4 70.8 56 38 B Q T 5 + 0 0 56 -2,-0.1 234,-0.4 234,-0.1 2,-0.3 -0.584 58.4 136.4 -74.6 109.9 8.5 25.0 69.9 57 39 B E E < -J 52 0C 68 -5,-1.0 -5,-3.1 -2,-0.7 2,-0.3 -0.998 59.0-102.7-155.9 153.4 9.3 24.5 66.3 58 40 B L E +J 51 0C 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.607 34.3 174.5 -71.0 128.7 10.0 26.2 63.0 59 41 B L E - 0 0 22 -9,-3.1 2,-0.3 1,-0.4 169,-0.2 0.795 55.9 -40.8 -97.3 -47.3 6.9 25.9 60.8 60 42 B b E -J 50 0C 3 -10,-1.0 -10,-3.0 169,-0.1 -1,-0.4 -0.952 56.6 -91.5-169.4 167.1 7.8 27.9 57.7 61 43 B G E +J 49 0C 1 169,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.367 39.4 169.4 -86.9 179.1 9.5 31.1 56.4 62 44 B A E -J 48 0C 0 -14,-1.1 -14,-2.2 -2,-0.1 2,-0.3 -0.932 22.4-121.9-176.8 173.0 7.7 34.4 55.7 63 45 B S E -JL 47 71C 0 8,-2.5 8,-3.1 -2,-0.3 2,-0.5 -0.999 14.6-123.3-142.7 146.3 8.5 38.0 54.9 64 46 B L E + L 0 70C 0 -18,-2.4 86,-2.1 -2,-0.3 6,-0.2 -0.750 28.3 169.6 -86.8 119.0 7.9 41.4 56.4 65 47 B I S S- 0 0 16 4,-2.1 -63,-0.4 -2,-0.5 2,-0.3 0.551 71.1 -7.8-108.2 -12.0 6.1 43.7 53.9 66 48 B S S S- 0 0 27 3,-1.2 3,-0.3 -65,-0.1 -1,-0.3 -0.906 91.6 -76.2-160.1-175.2 5.3 46.6 56.3 67 49 B D S S+ 0 0 49 -2,-0.3 74,-2.3 1,-0.2 72,-0.1 0.601 128.9 20.6 -71.0 -9.0 5.5 47.1 60.1 68 50 B R S S+ 0 0 53 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.362 107.9 82.3-138.9 11.4 2.4 45.0 60.8 69 51 B W E - M 0 136C 6 -3,-0.3 -4,-2.1 67,-0.2 -3,-1.2 -0.967 49.3-173.3-121.8 132.4 1.9 42.7 57.8 70 52 B V E -LM 64 135C 0 65,-2.2 65,-1.9 -2,-0.4 2,-0.4 -0.989 12.4-148.1-124.8 130.5 3.8 39.4 57.1 71 53 B L E +LM 63 134C 0 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.3 -0.773 29.4 145.3-102.3 138.7 3.5 37.5 53.9 72 54 B T E - M 0 133C 0 61,-2.5 61,-2.5 -2,-0.4 2,-0.3 -0.896 50.6 -72.2-152.9-178.2 3.7 33.7 53.7 73 55 B A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 4,-0.4 -0.700 34.6-133.3 -81.9 137.1 2.3 30.6 51.9 74 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.3 3,-2.0 0.863 104.5 63.4 -56.3 -34.8 -1.3 29.6 52.7 75 57 B H G 34 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.643 90.3 66.5 -72.0 -14.5 -0.2 25.9 53.1 76 58 B b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.727 117.6 25.6 -68.7 -25.3 2.0 27.0 56.0 77 59 B L T <4 S+ 0 0 2 -3,-2.0 9,-1.9 -4,-0.4 2,-0.4 0.711 130.2 31.3-107.7 -33.9 -1.3 27.8 57.8 78 60 B L E < +P 85 0D 33 -4,-2.5 -1,-0.3 7,-0.2 7,-0.2 -0.955 56.4 139.6-139.6 109.7 -4.0 25.6 56.2 79 60AB Y E > > -P 84 0D 55 5,-2.2 3,-2.1 -2,-0.4 5,-1.6 -0.574 22.1-173.6-149.3 84.8 -3.4 22.2 54.7 80 60BB P G > 5S+ 0 0 45 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.796 79.5 68.7 -46.7 -41.4 -6.2 19.7 55.5 81 60CB P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.769 111.7 35.7 -53.6 -23.1 -4.5 16.6 54.0 82 60DB W G < 5S- 0 0 177 -3,-2.1 3,-0.1 2,-0.1 0, 0.0 0.100 117.9-109.8-113.0 16.1 -2.0 16.9 57.0 83 60EB D T < 5 + 0 0 156 -3,-2.6 2,-0.5 1,-0.2 -5,-0.0 0.862 67.8 150.4 49.7 43.2 -4.6 18.1 59.6 84 60FB K E < +P 79 0D 44 -5,-1.6 -5,-2.2 1,-0.1 -1,-0.2 -0.919 4.9 138.2-103.9 122.5 -3.0 21.6 59.6 85 60GB N E -P 78 0D 116 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.317 31.7-167.1-159.7 71.6 -5.3 24.5 60.3 86 60HB F - 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