==== 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-JUN-05 2A45 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.PECHIK,J.MADRAZO,G.L.GILLILAND,L.MEDVED . 866 12 19 6 13 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 1 0.1 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 . 65 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 2 1 2 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 2 0 2 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 12 10 7 5 1 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 . 3 2 0 0 2 1 1 0 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 60 0, 0.0 66,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.6 -1.2 14.9 -50.2 2 1CA E + 0 0 119 64,-0.2 150,-0.1 1,-0.2 149,-0.0 0.403 360.0 76.1 -50.1-172.5 -0.1 17.4 -52.8 3 1BA A S S+ 0 0 69 1,-0.1 -1,-0.2 0, 0.0 149,-0.0 0.622 115.7 42.6 73.0 8.7 -2.3 20.1 -54.5 4 1AA D S S+ 0 0 55 146,-0.1 3,-0.4 0, 0.0 -2,-0.2 0.219 96.9 106.8-160.8 -3.9 -1.7 21.6 -51.1 5 1 A a + 0 0 4 1,-0.2 146,-0.2 146,-0.1 147,-0.1 0.473 57.4 48.3 -64.1-154.9 2.1 20.8 -50.8 6 2 A G S S+ 0 0 0 144,-0.3 246,-1.3 246,-0.2 2,-0.4 0.567 87.2 111.9 26.2 28.7 5.0 23.2 -51.1 7 3 A L - 0 0 27 143,-0.5 244,-0.1 -3,-0.4 -1,-0.1 -0.950 60.1-140.2-136.7 123.0 3.5 25.7 -48.7 8 4 A R > > - 0 0 0 -2,-0.4 3,-2.7 1,-0.2 5,-1.6 -0.617 3.5-156.0 -78.5 115.2 4.5 26.8 -45.2 9 5 A P T 3 5S+ 0 0 17 0, 0.0 -1,-0.2 0, 0.0 138,-0.1 0.718 99.2 54.3 -62.5 -18.1 1.6 27.3 -42.8 10 6 A L T 3 5S+ 0 0 44 136,-0.3 34,-0.1 33,-0.2 -2,-0.1 0.173 134.9 0.2 -99.3 15.1 3.9 29.6 -40.9 11 7 A F T < 5S+ 0 0 19 -3,-2.7 3,-0.5 32,-0.1 4,-0.3 0.010 135.3 39.3-155.4 -79.8 4.7 31.6 -44.0 12 8 A E T > 5S+ 0 0 21 1,-0.2 3,-1.4 3,-0.2 -5,-0.0 0.925 120.6 41.9 -48.1 -62.4 3.0 30.6 -47.1 13 9 A K T 3 - 0 0 3 -2,-0.2 3,-3.1 1,-0.1 4,-0.4 -0.698 46.9 -89.8-102.1 156.1 11.6 33.7 -44.5 19 14AA K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 -2,-0.3 3,-0.0 0.679 129.0 10.6 -29.0 -35.7 14.7 35.6 -43.1 20 14BA T T 3 S+ 0 0 49 2,-0.1 4,-0.4 1,-0.1 -1,-0.3 -0.280 82.7 130.2-145.3 50.4 16.1 35.3 -46.6 21 14CA E S <> S+ 0 0 22 -3,-3.1 4,-0.7 1,-0.2 3,-0.2 0.686 73.0 62.9 -78.9 -16.0 13.3 34.0 -48.8 22 14DA R H > S+ 0 0 94 -4,-0.4 4,-3.4 1,-0.2 5,-0.3 0.909 82.9 74.5 -73.6 -43.7 14.2 36.9 -51.2 23 14EA E H > S+ 0 0 46 1,-0.3 4,-0.8 2,-0.2 145,-0.2 0.794 94.6 51.6 -40.1 -44.0 17.7 35.7 -52.1 24 14FA L H >> S+ 0 0 10 -4,-0.4 3,-1.8 2,-0.2 4,-0.8 0.981 113.9 43.8 -61.5 -52.2 16.4 32.9 -54.3 25 14GA L H >< S+ 0 0 25 -4,-0.7 3,-2.5 -3,-0.3 -2,-0.2 0.968 112.8 53.6 -51.2 -52.9 14.2 35.4 -56.1 26 14HA E H 3< S+ 0 0 76 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.624 102.7 58.3 -57.4 -15.3 17.2 37.6 -56.1 27 14IA S H << S+ 0 0 18 -3,-1.8 2,-2.0 -4,-0.8 -1,-0.3 0.609 73.9 105.9 -92.2 -10.9 19.2 34.9 -57.7 28 14JA Y S << S- 0 0 45 -3,-2.5 2,-3.2 -4,-0.8 -1,-0.1 -0.491 119.0 -65.6 -71.5 84.4 16.9 34.6 -60.7 29 14KA I S S- 0 0 137 -2,-2.0 2,-0.3 0, 0.0 -1,-0.1 -0.457 121.8 -4.2 67.2 -72.1 19.3 36.4 -63.1 30 14LA D S S- 0 0 127 -2,-3.2 -2,-0.2 1,-0.3 -3,-0.1 -0.951 94.2 -66.9-144.0 162.6 18.9 39.5 -60.9 31 14MA G 0 0 40 -2,-0.3 -1,-0.3 -5,-0.2 -5,-0.1 0.471 360.0 360.0 -37.1 178.9 16.9 40.8 -57.9 32 15 A R 0 0 218 -10,-0.0 -2,-0.0 0, 0.0 -1,-0.0 0.965 360.0 360.0 -84.6 360.0 13.1 41.5 -57.6 33 !* 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 34 16 B I > 0 0 3 0, 0.0 3,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 139.5 25.6 22.5 -43.1 35 17 B V B 3 +A 232 0A 12 197,-2.4 197,-0.8 1,-0.2 142,-0.1 -0.534 360.0 2.7 -83.1 139.4 28.8 24.6 -43.4 36 18 B E T 3 S+ 0 0 112 195,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.965 103.4 132.0 51.7 55.1 28.7 28.4 -43.1 37 19 B G < - 0 0 34 -3,-0.5 2,-0.3 159,-0.1 159,-0.2 -0.146 50.6-112.5-115.5-144.6 25.0 28.3 -42.4 38 20 B S E -B 195 0B 57 157,-0.6 157,-3.3 -2,-0.1 2,-1.8 -0.976 33.5 -94.6-160.6 141.9 22.6 29.8 -39.9 39 21 B D E -B 194 0B 120 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.353 56.4-137.0 -56.4 85.5 20.3 28.7 -37.1 40 22 B A - 0 0 5 -2,-1.8 3,-0.1 153,-0.9 2,-0.1 0.082 13.7-114.3 -46.3 155.5 17.2 28.4 -39.3 41 23 B E - 0 0 88 1,-0.1 3,-0.5 -3,-0.0 4,-0.3 -0.274 43.4 -71.4 -86.4 177.3 13.9 29.6 -38.1 42 24 B I S S+ 0 0 95 1,-0.2 -1,-0.1 2,-0.1 57,-0.0 -0.398 103.6 2.8 -76.5 145.2 10.8 27.6 -37.3 43 25 B G S S+ 0 0 8 2,-0.3 -33,-0.2 1,-0.1 -1,-0.2 0.180 85.6 110.9 75.4 -17.4 8.6 26.0 -39.9 44 26 B M S S+ 0 0 8 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.812 87.4 46.9 -60.8 -21.5 10.5 26.8 -43.1 45 27 B S + 0 0 15 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.3 -0.750 61.8 147.6-122.9 83.7 11.2 23.1 -43.1 46 28 B P S S+ 0 0 0 0, 0.0 103,-3.7 0, 0.0 -1,-0.1 0.145 82.3 47.4 -96.4 13.5 8.0 21.3 -42.4 47 29 B W S S+ 0 0 9 101,-0.2 18,-2.5 103,-0.1 2,-1.5 0.294 78.5 123.8-130.1 -5.0 9.1 18.4 -44.6 48 30 B Q E -G 64 0C 0 16,-0.2 49,-0.8 101,-0.1 50,-0.6 -0.424 45.8-168.1 -64.7 87.7 12.6 18.2 -43.0 49 31 B V E -GH 63 96C 0 -2,-1.5 14,-1.8 14,-1.2 2,-0.5 -0.436 12.6-145.9 -80.5 155.8 12.6 14.6 -41.8 50 32 B M E - H 0 95C 0 45,-0.9 45,-4.4 12,-0.2 2,-0.2 -0.869 9.4-149.8-129.4 101.3 15.3 13.3 -39.5 51 33 B L E - H 0 94C 0 -2,-0.5 9,-1.5 10,-0.3 10,-0.7 -0.447 22.5-175.5 -69.6 129.4 16.4 9.7 -40.0 52 34 B F E -IH 59 93C 23 41,-3.9 41,-1.9 -2,-0.2 2,-0.5 -0.900 24.9-124.7-133.6 157.5 17.4 7.9 -36.9 53 35 B R E > -IH 58 92C 82 5,-2.6 5,-0.5 -2,-0.3 39,-0.2 -0.876 11.2-148.0-103.1 121.6 18.9 4.6 -35.7 54 36 B K T 5S+ 0 0 15 37,-2.0 -1,-0.2 -2,-0.5 3,-0.1 0.956 83.8 51.1 -46.2 -68.1 17.1 2.6 -33.1 55 36AB S T 5S+ 0 0 56 36,-0.4 -1,-0.2 1,-0.3 2,-0.1 -0.965 124.8 11.9-133.3 121.1 20.3 1.2 -31.7 56 37 B P T 5S- 0 0 57 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.568 98.8-124.5 -81.8 154.1 22.4 3.0 -31.0 57 38 B Q T 5 + 0 0 63 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.2 -0.438 53.8 147.7 -62.6 116.6 20.2 6.0 -31.3 58 39 B E E < -I 53 0C 102 -5,-0.5 -5,-2.6 -2,-0.4 2,-0.7 -0.982 52.1-117.3-147.9 150.7 22.1 8.1 -33.8 59 40 B L E +I 52 0C 50 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.837 34.8 172.8 -92.0 117.4 21.1 10.6 -36.5 60 41 B L - 0 0 33 -9,-1.5 178,-0.2 -2,-0.7 2,-0.2 0.885 54.2 -26.4 -94.8 -42.8 22.3 9.1 -39.7 61 42 B b - 0 0 5 -10,-0.7 -10,-0.3 176,-0.1 2,-0.3 -0.650 60.3 -95.7-148.3-157.1 20.9 11.4 -42.4 62 43 B G - 0 0 1 176,-2.0 12,-0.4 -2,-0.2 2,-0.3 -0.890 35.6-160.4-127.6 160.3 18.2 13.9 -43.4 63 44 B A E -G 49 0C 0 -14,-1.8 -14,-1.2 -2,-0.3 2,-0.5 -0.836 15.5-114.7-135.9 175.6 15.1 12.8 -45.3 64 45 B S E -GJ 48 72C 2 8,-3.5 8,-3.3 -2,-0.3 2,-0.6 -0.943 14.9-146.5-126.6 119.8 12.5 14.5 -47.4 65 46 B L E + J 0 71C 7 -18,-2.5 86,-2.3 -2,-0.5 6,-0.2 -0.659 36.9 145.5 -80.9 118.8 8.8 14.8 -46.5 66 47 B I E + 0 0 50 4,-1.6 2,-0.2 -2,-0.6 -64,-0.2 0.220 69.9 8.6-136.2 9.3 6.6 14.7 -49.6 67 48 B S E > S- J 0 70C 21 3,-0.7 3,-0.7 -66,-0.1 -1,-0.5 -0.852 77.8 -99.9 173.4 148.4 3.6 12.8 -48.2 68 49 B D T 3 S+ 0 0 37 1,-0.3 74,-0.9 -2,-0.2 72,-0.1 0.463 126.2 25.5 -57.2 -3.8 2.1 11.5 -45.0 69 50 B R T 3 S+ 0 0 81 72,-0.2 69,-1.2 1,-0.2 2,-0.4 0.401 114.9 64.6-140.5 -6.3 3.5 8.1 -46.0 70 51 B W E < -JK 67 137C 17 -3,-0.7 -4,-1.6 67,-0.2 -3,-0.7 -0.977 50.0-178.5-129.0 143.1 6.5 8.7 -48.3 71 52 B V E -JK 65 136C 9 65,-1.2 65,-1.0 -2,-0.4 2,-0.2 -0.998 15.8-142.9-140.4 135.3 9.8 10.3 -47.7 72 53 B L E +JK 64 135C 8 -8,-3.3 -8,-3.5 -2,-0.4 2,-0.3 -0.625 32.6 140.3 -97.0 152.1 12.6 10.9 -50.1 73 54 B T E - K 0 134C 0 61,-1.3 61,-4.8 -2,-0.2 2,-0.2 -0.969 53.5 -56.7-178.7 167.2 16.3 10.6 -49.3 74 55 B A > - 0 0 0 -12,-0.4 3,-0.6 -2,-0.3 4,-0.5 -0.346 37.8-151.3 -56.4 115.5 19.9 9.7 -50.2 75 56 B A G >> S+ 0 0 0 1,-0.2 4,-2.0 -2,-0.2 3,-1.6 0.864 94.9 62.5 -59.5 -35.3 19.9 6.0 -51.0 76 57 B H G 34 S+ 0 0 2 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.890 89.7 68.5 -61.2 -34.7 23.5 5.8 -49.8 77 58 B b G <4 S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.782 109.6 35.7 -54.1 -27.1 22.3 6.8 -46.3 78 59 B L T <4 S+ 0 0 5 -3,-1.6 9,-3.1 -4,-0.5 2,-0.5 0.838 128.3 27.2 -93.8 -40.3 20.6 3.4 -46.1 79 60 B L B < +N 86 0D 32 -4,-2.0 -1,-0.3 7,-0.2 7,-0.3 -0.937 58.4 145.7-132.7 111.9 23.0 1.2 -47.9 80 60AB Y - 0 0 22 5,-0.9 6,-0.1 -2,-0.5 -4,-0.0 -0.714 15.2-179.3-146.8 93.8 26.7 1.7 -48.3 81 60BB P S > S+ 0 0 43 0, 0.0 3,-3.4 0, 0.0 -1,-0.1 0.857 82.6 64.5 -56.9 -42.3 28.8 -1.5 -48.4 82 60CB P T 3 S+ 0 0 61 0, 0.0 -2,-0.1 0, 0.0 44,-0.0 0.974 121.0 24.5 -47.8 -56.3 32.1 0.5 -48.8 83 60DB W T 3 S- 0 0 144 2,-0.1 -3,-0.1 -3,-0.0 0, 0.0 0.055 128.2-113.7 -93.7 28.6 31.3 1.8 -45.4 84 60EB D < + 0 0 141 -3,-3.4 2,-0.3 1,-0.1 -5,-0.0 0.911 56.4 160.1 36.7 99.1 29.3 -1.4 -45.0 85 60FB K + 0 0 43 2,-0.1 -5,-0.9 1,-0.0 -1,-0.1 -0.855 19.4 148.7-151.8 111.2 25.7 -0.3 -44.7 86 60GB N B +N 79 0D 116 -2,-0.3 -7,-0.2 -7,-0.3 2,-0.1 -0.541 27.1 172.8-139.7 70.1 22.5 -2.2 -45.3 87 60HB F - 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