==== 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 28-OCT-04 1WAY . 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 . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 61.0 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 26.2 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.3 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 0 116 0, 0.0 2,-0.1 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 147.9 4.5 50.2 49.1 2 1CA E > - 0 0 65 61,-0.4 3,-2.1 146,-0.2 62,-0.0 -0.436 360.0-119.7 -66.4 140.8 6.3 51.7 52.0 3 1BA A T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.762 109.6 38.6 -55.3 -35.6 8.6 54.5 50.9 4 1AA D T > S+ 0 0 61 144,-0.0 3,-1.2 2,-0.0 -1,-0.3 0.243 85.8 140.1-102.6 11.9 11.8 52.9 52.2 5 1 A a T < + 0 0 11 -3,-2.1 143,-0.2 1,-0.2 144,-0.1 -0.174 63.1 17.8 -58.7 143.1 10.9 49.3 51.3 6 2 A G T 3 S+ 0 0 0 141,-2.7 236,-1.9 1,-0.2 2,-0.6 0.546 90.9 113.6 84.8 6.7 13.6 46.9 50.0 7 3 A L < - 0 0 30 -3,-1.2 -1,-0.2 140,-0.3 234,-0.1 -0.957 60.2-141.7-116.6 113.2 16.6 48.9 51.1 8 4 A R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.5 -0.604 7.4-139.5 -84.1 130.1 18.6 47.1 53.7 9 5 A P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.839 104.5 43.4 -50.9 -38.1 20.1 49.1 56.6 10 6 A L T 3 5S+ 0 0 31 133,-0.5 31,-0.1 30,-0.4 133,-0.0 0.468 130.8 17.3 -93.3 0.6 23.4 47.1 56.5 11 7 A F T X>>S+ 0 0 13 -3,-1.5 5,-2.4 29,-0.1 3,-1.1 0.433 128.7 26.7-132.4 -86.5 23.7 47.0 52.7 12 8 A E G >45S+ 0 0 32 1,-0.3 3,-1.0 3,-0.2 -5,-0.1 0.859 120.5 53.6 -53.4 -43.3 21.8 49.5 50.4 13 9 A K G 34 - 0 0 3 -2,-0.4 3,-0.6 1,-0.1 4,-0.4 -0.414 34.0 -98.1 -82.8 171.3 26.5 41.5 49.9 19 14AA K T 3 S+ 0 0 174 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.619 113.5 23.5 -71.0 -17.8 28.6 38.6 48.7 20 14BA T T >> S+ 0 0 39 2,-0.1 3,-0.7 1,-0.1 4,-0.7 0.357 85.9 99.6-130.7 9.2 26.3 37.2 46.0 21 14CA E H X> S+ 0 0 18 -3,-0.6 4,-1.9 1,-0.2 3,-0.7 0.832 79.2 65.6 -66.4 -28.8 24.0 40.0 44.8 22 14DA R H 3> S+ 0 0 130 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.840 91.7 62.4 -58.2 -36.8 26.2 40.5 41.8 23 14EA E H <> S+ 0 0 49 -3,-0.7 4,-1.0 2,-0.2 -1,-0.2 0.870 104.9 48.1 -54.6 -38.5 25.3 37.0 40.6 24 14FA L H XX S+ 0 0 0 -4,-0.7 3,-0.8 -3,-0.7 4,-0.7 0.951 110.9 49.2 -68.7 -49.7 21.7 38.3 40.3 25 14GA L H >< S+ 0 0 98 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.904 108.2 54.8 -54.0 -43.4 22.7 41.5 38.5 26 14HA E H 3< S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 104.5 54.8 -65.2 -26.5 24.7 39.4 36.0 27 14IA S H << S+ 0 0 17 -4,-1.0 2,-2.0 -3,-0.8 -1,-0.3 0.660 85.3 88.1 -77.2 -18.8 21.7 37.3 35.2 28 14JA Y << 0 0 29 -3,-1.3 -1,-0.2 -4,-0.7 135,-0.0 -0.482 360.0 360.0 -87.0 71.9 19.6 40.4 34.3 29 14KA I 0 0 175 -2,-2.0 -1,-0.2 -3,-0.0 -2,-0.1 0.592 360.0 360.0 -88.9 360.0 20.5 40.5 30.7 30 !* 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 31 16 B I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.6 17.8 25.2 51.8 32 17 B V B -A 222 0A 9 190,-2.8 190,-1.5 1,-0.2 143,-0.1 -0.816 360.0 -1.7 -96.7 131.3 19.8 22.6 50.0 33 18 B E S S+ 0 0 127 141,-0.5 -1,-0.2 -2,-0.5 187,-0.2 0.800 101.7 123.6 63.3 32.3 23.3 23.6 48.6 34 19 B G - 0 0 29 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.118 53.5-119.7 -99.2-157.6 23.1 27.2 49.9 35 20 B S E -B 185 0B 58 150,-2.2 150,-2.3 -2,-0.1 2,-0.2 -0.934 35.3 -76.4-142.0 164.9 25.3 29.2 52.1 36 21 B D E -B 184 0B 109 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.471 52.1-119.4 -60.9 131.7 25.1 31.0 55.5 37 22 B A - 0 0 7 146,-3.1 2,-0.2 -2,-0.2 -1,-0.1 -0.367 24.6-115.3 -59.9 149.5 23.4 34.4 55.2 38 23 B E > - 0 0 39 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.525 46.0 -82.9 -78.0 156.1 25.3 37.5 56.0 39 24 B I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.418 116.3 5.7 -59.5 130.1 24.0 39.5 59.0 40 25 B G T 3 S+ 0 0 12 -2,-0.2 -30,-0.4 104,-0.1 -1,-0.3 0.606 92.1 127.0 68.0 14.1 21.2 41.8 58.0 41 26 B M S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 -33,-0.1 0.763 83.2 22.2 -71.8 -29.2 21.2 40.2 54.5 42 27 B S S > S+ 0 0 11 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.529 70.1 166.2-136.9 67.4 17.5 39.4 54.5 43 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.8 0, 0.0 51,-0.2 0.584 75.3 61.4 -73.3 -6.3 15.9 41.8 57.2 44 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.0 103,-0.1 2,-0.2 0.369 77.7 120.8 -88.3 0.4 12.4 41.0 55.9 45 30 B Q E < -J 61 0C 2 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.509 43.0-170.9 -75.7 134.5 12.8 37.3 56.8 46 31 B V E -JK 60 93C 0 14,-2.1 14,-1.1 -2,-0.2 2,-0.5 -0.961 16.5-142.9-127.0 138.8 10.3 36.0 59.3 47 32 B M E -JK 59 92C 0 45,-2.6 45,-2.7 -2,-0.4 2,-0.6 -0.925 11.7-145.6 -97.7 127.1 10.2 32.7 61.2 48 33 B L E -JK 58 91C 0 10,-2.8 9,-3.2 -2,-0.5 10,-1.2 -0.857 26.8-168.7 -91.1 122.1 6.7 31.2 61.7 49 34 B F E -JK 56 90C 0 41,-3.3 41,-2.4 -2,-0.6 2,-0.3 -0.948 20.0-135.6-129.8 123.2 7.0 29.5 65.1 50 35 B R E > -JK 55 89C 82 5,-3.0 5,-1.0 -2,-0.4 39,-0.2 -0.644 12.6-146.5 -77.5 134.6 4.5 27.1 66.8 51 36 B K T 5S+ 0 0 40 37,-2.3 -1,-0.1 -2,-0.3 3,-0.1 0.925 79.3 47.8 -70.1 -47.5 4.0 27.9 70.5 52 37 B S T 5S+ 0 0 102 36,-0.4 -1,-0.3 1,-0.3 2,-0.2 -0.932 120.0 22.5-147.5 118.8 3.5 24.4 71.7 53 37AB P T 5S- 0 0 75 0, 0.0 2,-1.1 0, 0.0 -1,-0.3 0.644 103.7-123.0 -69.6 163.3 5.4 22.4 70.9 54 38 B Q T 5 + 0 0 64 -2,-0.2 231,-0.4 -3,-0.1 2,-0.3 -0.650 57.7 133.6 -83.2 100.4 8.1 25.0 70.2 55 39 B E E < -J 50 0C 71 -2,-1.1 -5,-3.0 -5,-1.0 2,-0.4 -0.976 59.9-100.8-146.6 159.4 9.1 24.5 66.6 56 40 B L E +J 49 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.675 34.2 174.2 -74.9 129.3 9.7 26.2 63.2 57 41 B L E - 0 0 26 -9,-3.2 2,-0.3 1,-0.4 169,-0.2 0.793 55.9 -38.0-101.2 -42.3 6.7 25.8 60.9 58 42 B b E -J 48 0C 2 -10,-1.2 -10,-2.8 169,-0.1 -1,-0.4 -0.963 56.0 -93.2-170.2 166.4 7.7 27.9 57.9 59 43 B G E +J 47 0C 1 169,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.422 39.7 169.1 -86.2 177.0 9.3 31.1 56.6 60 44 B A E -J 46 0C 0 -14,-1.1 -14,-2.1 -2,-0.2 2,-0.3 -0.901 23.1-120.6-173.7 178.6 7.4 34.2 56.0 61 45 B S E -JL 45 69C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.6 -0.999 13.3-122.2-146.9 145.7 8.3 37.9 55.2 62 46 B L E + L 0 68C 0 -18,-2.0 86,-2.0 -2,-0.3 6,-0.2 -0.754 30.1 168.1 -85.0 113.8 7.7 41.4 56.6 63 47 B I - 0 0 16 4,-2.4 -61,-0.4 -2,-0.6 2,-0.3 0.542 69.5 -7.8-105.4 -9.5 6.0 43.6 54.1 64 48 B S S S- 0 0 29 3,-1.1 3,-0.3 -63,-0.1 -1,-0.2 -0.911 89.5 -78.1-161.7-178.0 5.1 46.6 56.5 65 49 B D S S+ 0 0 73 -2,-0.3 74,-2.2 1,-0.2 72,-0.1 0.705 130.0 23.9 -64.3 -18.0 5.3 47.3 60.3 66 50 B R S S+ 0 0 34 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.368 108.2 80.0-128.7 4.5 2.1 45.2 60.9 67 51 B W E - M 0 134C 9 -3,-0.3 -4,-2.4 67,-0.2 -3,-1.1 -0.955 47.1-173.3-125.9 134.5 1.8 42.7 58.0 68 52 B V E -LM 62 133C 0 65,-2.5 65,-2.5 -2,-0.4 2,-0.4 -0.981 12.3-149.9-123.3 134.2 3.6 39.4 57.3 69 53 B L E +LM 61 132C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.3 -0.796 28.9 145.4-104.4 138.7 3.3 37.4 54.1 70 54 B T E - M 0 131C 0 61,-2.4 61,-2.0 -2,-0.4 2,-0.4 -0.901 51.5 -70.9-153.7-177.3 3.5 33.6 53.9 71 55 B A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.3 4,-0.4 -0.709 34.7-133.7 -83.2 134.9 2.2 30.5 52.1 72 56 B A G >> S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 3,-2.0 0.867 104.9 63.1 -50.9 -38.1 -1.5 29.6 52.9 73 57 B H G 34 S+ 0 0 25 1,-0.3 -1,-0.2 2,-0.2 155,-0.0 0.661 90.4 66.4 -69.8 -15.7 -0.4 25.9 53.3 74 58 B b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.702 117.5 25.4 -68.3 -22.4 1.8 26.9 56.3 75 59 B L T <4 S+ 0 0 2 -3,-2.0 9,-1.8 -4,-0.4 2,-0.4 0.668 130.0 32.8-110.8 -32.2 -1.5 27.8 58.1 76 60 B L E < +P 83 0D 30 -4,-2.5 -1,-0.3 7,-0.2 7,-0.2 -0.967 54.1 139.0-141.3 116.0 -4.2 25.6 56.4 77 60AB Y E > > -P 82 0D 55 5,-2.9 3,-2.1 -2,-0.4 5,-1.8 -0.549 22.0-173.5-156.0 81.9 -3.8 22.1 55.0 78 60BB P G > 5S+ 0 0 46 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.756 78.4 70.3 -50.0 -35.1 -6.8 19.9 55.8 79 60CB P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.784 110.5 34.9 -57.2 -26.4 -5.3 16.7 54.4 80 60DB W G < 5S- 0 0 177 -3,-2.1 3,-0.1 2,-0.1 0, 0.0 0.101 119.2-107.5-108.7 19.5 -2.8 16.7 57.3 81 60EB D T < 5 + 0 0 156 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.833 68.9 151.6 48.4 40.8 -5.3 18.1 59.8 82 60FB K E < +P 77 0D 49 -5,-1.8 -5,-2.9 1,-0.1 -1,-0.2 -0.894 4.1 137.3 -99.7 119.0 -3.5 21.5 59.8 83 60GB N E -P 76 0D 120 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.356 31.9-167.6-156.0 71.2 -5.7 24.5 60.5 84 60HB F - 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