==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 22-JUN-12 4AYV . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,A.D'ARCY,F.K.WINKLER,K.HILPERT . 298 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 58.4 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 25.5 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 . 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 . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 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 0 2 1 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 5 A G 0 0 136 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-117.0 67.8 27.2 15.3 2 6 A E - 0 0 196 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.470 360.0-103.3 -69.6 135.0 64.3 26.3 16.5 3 7 A A - 0 0 92 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.206 40.3-100.1 -58.8 145.1 61.4 26.8 14.0 4 8 A D + 0 0 70 146,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.464 53.9 163.2 -67.4 135.7 59.2 29.8 14.4 5 9 A a + 0 0 29 -2,-0.2 144,-0.2 -3,-0.1 145,-0.1 -0.996 44.6 22.7-153.9 154.0 55.9 29.2 16.2 6 10 A G S S+ 0 0 0 142,-2.7 244,-0.9 -2,-0.3 2,-0.6 0.594 84.1 112.3 67.9 11.7 53.0 30.8 17.9 7 11 A L - 0 0 29 141,-0.3 -1,-0.1 242,-0.2 242,-0.1 -0.933 62.9-140.5-114.8 108.7 53.5 34.2 16.3 8 12 A R > > - 0 0 0 -2,-0.6 5,-2.0 1,-0.1 3,-1.8 -0.492 5.2-139.7 -76.1 129.0 50.7 35.0 13.9 9 13 A P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.816 104.3 43.7 -49.9 -37.7 51.6 36.8 10.6 10 14 A L T 3 5S+ 0 0 32 134,-0.4 32,-0.1 31,-0.3 -2,-0.1 0.434 128.9 21.2 -95.1 2.1 48.6 39.1 10.8 11 15 A F T X >S+ 0 0 13 -3,-1.8 5,-2.2 30,-0.1 3,-2.1 0.441 126.8 25.9-127.9 -91.3 48.9 39.9 14.5 12 16 A E G > 5S+ 0 0 21 1,-0.3 3,-1.7 3,-0.2 -5,-0.1 0.897 122.9 54.8 -41.8 -49.5 52.1 39.5 16.6 13 17 A K G 3 - 0 0 4 -2,-0.3 3,-0.8 1,-0.1 4,-0.5 -0.361 38.2 -98.7 -75.1 163.0 43.1 40.6 18.4 19 23 A K T 3 S+ 0 0 171 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.674 114.7 24.6 -55.2 -25.8 39.7 41.8 19.9 20 24 A T T 3> S+ 0 0 41 2,-0.1 4,-0.7 1,-0.1 3,-0.5 0.380 86.3 98.3-130.4 7.1 39.9 39.6 23.0 21 25 A E H X> S+ 0 0 4 -3,-0.8 4,-2.0 1,-0.2 3,-0.6 0.820 78.1 66.8 -68.1 -30.8 43.6 38.7 23.8 22 26 A R H 3> S+ 0 0 140 -4,-0.5 4,-2.5 1,-0.3 -1,-0.2 0.874 95.7 57.9 -54.0 -41.0 43.8 41.5 26.4 23 27 A E H 3> S+ 0 0 48 -3,-0.5 4,-1.1 1,-0.2 -1,-0.3 0.874 105.7 49.9 -54.4 -39.7 41.2 39.5 28.4 24 28 A L H << S+ 0 0 0 -4,-0.7 142,-0.5 -3,-0.6 4,-0.4 0.949 111.7 46.4 -65.9 -47.1 43.7 36.6 28.4 25 29 A L H >< S+ 0 0 46 -4,-2.0 3,-1.8 1,-0.2 4,-0.5 0.893 107.9 55.3 -65.8 -42.1 46.7 38.6 29.6 26 30 A E H >< S+ 0 0 94 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.794 94.7 68.2 -62.7 -28.8 44.8 40.4 32.4 27 31 A S G >< S+ 0 0 12 -4,-1.1 3,-0.6 -3,-0.4 -1,-0.3 0.761 94.1 60.8 -59.7 -21.6 43.8 37.0 33.8 28 32 A Y G < S+ 0 0 27 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.758 101.8 51.1 -76.8 -26.8 47.5 36.6 34.7 29 33 A I G < 0 0 134 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 -0.388 360.0 360.0-115.5 52.1 47.6 39.7 37.0 30 34 A D < 0 0 207 -3,-0.6 -3,-0.0 -2,-0.2 -4,-0.0 -0.906 360.0 360.0-115.0 360.0 44.7 39.3 39.5 31 !* 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 32 1 B I 0 0 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.3 31.5 26.9 20.5 33 2 B V B -A 230 0A 10 197,-2.8 197,-1.4 1,-0.2 143,-0.1 -0.828 360.0 -0.3 -96.9 134.2 28.7 28.1 22.8 34 3 B E S S+ 0 0 134 141,-0.5 -1,-0.2 -2,-0.4 194,-0.2 0.830 103.5 117.7 58.1 38.8 28.6 31.8 23.8 35 4 B G - 0 0 30 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.109 54.7-126.5-107.5-151.5 31.7 32.7 21.8 36 5 B S E -B 193 0B 60 157,-1.6 157,-2.4 -2,-0.1 -3,-0.0 -0.971 34.1 -65.7-155.7 168.7 32.0 35.1 18.8 37 6 B D E -B 192 0B 102 -2,-0.3 155,-0.2 155,-0.2 2,-0.1 -0.260 51.2-126.4 -54.8 136.4 33.3 35.2 15.2 38 7 B A - 0 0 7 153,-2.8 2,-0.2 59,-0.1 -1,-0.1 -0.498 23.5-113.5 -75.5 157.4 37.0 34.9 14.9 39 8 B E > - 0 0 44 -2,-0.1 3,-1.8 1,-0.1 4,-0.3 -0.580 47.2 -82.4 -80.5 155.8 39.0 37.6 13.0 40 9 B I T 3 S+ 0 0 100 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.428 116.7 6.8 -58.6 129.1 40.6 36.5 9.8 41 10 B G T 3 S+ 0 0 15 55,-0.1 -31,-0.3 2,-0.1 -1,-0.3 0.552 88.3 126.6 78.6 10.5 44.0 34.8 10.6 42 11 B M S < S+ 0 0 3 -3,-1.8 -2,-0.1 1,-0.3 -34,-0.1 0.709 83.3 27.9 -71.7 -24.9 43.4 34.8 14.4 43 12 B S > + 0 0 12 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.494 67.5 167.3-134.8 67.4 44.1 31.1 14.6 44 13 B P T 3 S+ 0 0 2 0, 0.0 103,-1.4 0, 0.0 51,-0.1 0.615 76.9 58.0 -64.6 -8.8 46.4 30.2 11.8 45 14 B W T 3 S+ 0 0 2 101,-0.2 18,-2.6 103,-0.1 2,-0.2 0.477 77.1 118.3 -94.6 -6.2 47.1 26.8 13.4 46 15 B Q E < -J 62 0C 4 -3,-2.3 49,-0.9 16,-0.2 2,-0.4 -0.433 45.6-167.7 -66.4 127.8 43.4 25.7 13.4 47 16 B V E -JK 61 94C 0 14,-2.7 14,-1.2 -2,-0.2 2,-0.5 -0.919 13.3-142.7-118.3 144.3 42.8 22.6 11.2 48 17 B M E -JK 60 93C 0 45,-2.6 45,-2.7 -2,-0.4 2,-0.8 -0.921 9.2-145.3-101.5 129.0 39.5 21.1 10.1 49 18 B L E -JK 59 92C 0 10,-2.6 9,-2.8 -2,-0.5 10,-0.8 -0.873 24.0-166.9 -90.5 113.7 39.1 17.3 9.9 50 19 B F E -JK 57 91C 0 41,-2.7 41,-3.1 -2,-0.8 2,-0.3 -0.885 15.1-140.0-110.0 123.6 36.9 16.6 6.9 51 20 B R E > -JK 56 90C 71 5,-2.4 5,-0.9 -2,-0.5 39,-0.2 -0.629 10.6-146.0 -75.5 135.3 35.2 13.3 6.2 52 21 B K T 5S+ 0 0 40 37,-1.8 3,-0.2 -2,-0.3 -1,-0.1 0.946 77.0 45.7 -69.4 -52.3 35.3 12.4 2.4 53 22 B S T 5S+ 0 0 102 1,-0.4 -1,-0.2 36,-0.3 2,-0.1 -0.930 121.4 22.6-146.8 115.9 32.0 10.6 2.0 54 23 B P T 5S- 0 0 77 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 0.605 102.3-125.3 -65.1 154.2 29.6 11.8 3.3 55 24 B Q T 5 + 0 0 73 -3,-0.2 2,-0.3 -2,-0.1 236,-0.2 -0.619 55.9 135.7 -67.9 113.7 31.1 15.2 3.3 56 25 B E E < -J 51 0C 73 -5,-0.9 -5,-2.4 -2,-0.6 2,-0.6 -0.983 60.4 -97.2-156.3 157.0 30.9 16.4 6.9 57 26 B L E +J 50 0C 38 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.709 37.0 177.4 -76.4 117.3 32.9 18.2 9.6 58 27 B L E - 0 0 23 -9,-2.8 2,-0.3 -2,-0.6 176,-0.2 0.917 53.2 -43.3 -82.7 -48.1 34.4 15.5 11.9 59 28 B b E -J 49 0C 5 -10,-0.8 -10,-2.6 176,-0.1 -1,-0.3 -0.953 54.3 -97.2-176.2 160.7 36.5 17.4 14.5 60 29 B G E +J 48 0C 2 176,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.381 38.4 171.5 -87.2 176.7 39.0 20.3 14.9 61 30 B A E -J 47 0C 0 -14,-1.2 -14,-2.7 10,-0.1 2,-0.4 -0.947 22.6-118.7-169.1 178.6 42.8 19.8 15.1 62 31 B S E -JL 46 70C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.4 -0.992 15.0-122.8-139.3 147.4 46.0 22.0 15.2 63 32 B L E + L 0 69C 0 -18,-2.6 86,-2.2 -2,-0.4 6,-0.2 -0.704 29.7 167.6 -84.1 128.6 49.1 22.4 13.1 64 33 B I - 0 0 23 4,-2.2 2,-0.3 -2,-0.4 5,-0.2 0.543 68.1 -6.5-121.2 -15.2 52.3 21.9 15.0 65 34 B S S S- 0 0 34 3,-1.1 -1,-0.4 82,-0.0 3,-0.1 -0.906 88.8 -79.6-156.5-173.0 54.9 21.7 12.1 66 35 B D S S+ 0 0 72 -2,-0.3 74,-2.0 1,-0.2 72,-0.1 0.676 128.6 23.8 -69.8 -15.5 54.8 21.6 8.3 67 36 B R S S+ 0 0 66 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.423 108.2 80.6-127.5 -1.0 53.9 17.9 8.3 68 37 B W E - M 0 135C 18 67,-0.2 -4,-2.2 -3,-0.1 -3,-1.1 -0.931 47.6-172.8-120.8 136.8 52.3 17.1 11.6 69 38 B V E -LM 63 134C 0 65,-2.4 65,-2.0 -2,-0.4 2,-0.4 -0.969 11.5-150.0-124.4 135.4 48.8 17.7 13.0 70 39 B L E +LM 62 133C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.3 -0.860 29.5 144.5-104.6 136.9 47.6 17.1 16.5 71 40 B T E - M 0 132C 0 61,-2.3 61,-1.9 -2,-0.4 2,-0.3 -0.871 51.0 -71.5-150.0-177.1 44.0 16.1 17.4 72 41 B A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.3 4,-0.3 -0.714 32.7-135.6 -82.9 136.7 41.9 14.0 19.9 73 42 B A G >> S+ 0 0 0 -2,-0.3 3,-2.4 1,-0.2 4,-2.3 0.902 102.8 63.4 -51.8 -45.1 42.1 10.1 19.6 74 43 B H G 34 S+ 0 0 37 1,-0.3 -1,-0.2 2,-0.2 162,-0.0 0.594 90.2 67.5 -66.8 -9.1 38.3 9.8 20.0 75 44 B b G <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.718 116.1 25.5 -72.3 -23.2 37.8 11.7 16.8 76 45 B L T <4 S+ 0 0 2 -3,-2.4 9,-2.3 -4,-0.3 2,-0.4 0.767 125.8 35.2-110.4 -38.2 39.4 8.8 14.9 77 46 B L E < +P 84 0D 37 -4,-2.3 -1,-0.3 7,-0.2 7,-0.2 -0.974 48.1 142.6-135.7 118.6 38.8 5.7 17.0 78 47 B Y E > > -P 83 0D 61 5,-2.8 5,-2.1 -2,-0.4 3,-0.8 -0.650 23.7-166.8-150.6 95.1 36.0 4.6 19.2 79 48 B P G > 5S+ 0 0 49 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.809 80.3 66.4 -56.2 -40.3 35.2 0.8 19.1 80 49 B P G 3 5S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.907 111.5 36.3 -48.8 -46.5 31.8 0.8 20.9 81 50 B W G < 5S- 0 0 199 -3,-0.8 3,-0.1 2,-0.1 -3,-0.0 0.031 117.4-114.5 -91.0 26.0 30.2 2.8 17.9 82 51 B D T < 5 + 0 0 146 -3,-2.6 2,-0.6 1,-0.2 -5,-0.0 0.848 61.8 159.5 43.4 43.7 32.4 0.9 15.5 83 52 B K E < +P 78 0D 51 -5,-2.1 -5,-2.8 1,-0.0 -1,-0.2 -0.878 4.3 146.2 -98.7 118.4 34.2 4.1 14.6 84 53 B N E -P 77 0D 109 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.487 24.7-168.5-156.5 75.9 37.6 3.5 13.1 85 54 B F - 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