==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-SEP-08 3EE0 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.S.GANDHI,M.J.PAGE,Z.CHEN,L.BUSH-PELC,E.DI CERA . 275 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 61.8 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 27.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 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 . 1 0.4 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 . 19 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 2 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 1 3 3 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 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 1CA E 0 0 130 0, 0.0 146,-0.0 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 -29.6 -103.2 5.2 64.4 2 1BA A + 0 0 88 1,-0.1 148,-0.0 148,-0.0 0, 0.0 0.415 360.0 38.5-105.3 -6.5 -106.9 4.3 63.8 3 1AA D S > S+ 0 0 59 3,-0.0 3,-1.1 146,-0.0 -1,-0.1 0.077 91.2 139.4-127.4 15.8 -105.7 0.8 62.9 4 1 A a T 3 + 0 0 13 1,-0.2 145,-0.3 145,-0.1 3,-0.1 -0.167 56.1 30.3 -64.0 155.3 -103.1 0.6 65.6 5 2 A G T 3 S+ 0 0 0 143,-1.7 238,-1.8 237,-0.2 2,-0.5 0.254 91.9 105.3 82.8 -13.2 -102.5 -2.6 67.6 6 3 A L < - 0 0 27 -3,-1.1 -1,-0.2 142,-0.2 236,-0.1 -0.904 67.4-133.1-104.6 123.2 -103.5 -5.0 64.9 7 4 A R >>> - 0 0 0 -2,-0.5 3,-2.4 1,-0.1 5,-1.8 -0.607 0.6-145.8 -85.4 119.3 -100.8 -6.9 63.1 8 5 A P T 345S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.816 102.6 38.7 -44.9 -39.1 -100.8 -7.1 59.3 9 6 A L T 345S+ 0 0 34 135,-0.4 33,-0.1 32,-0.4 -2,-0.1 0.391 130.6 24.2 -99.1 6.5 -99.4 -10.6 59.3 10 7 A F T X4>S+ 0 0 14 -3,-2.4 5,-4.1 31,-0.1 3,-1.0 0.602 127.2 27.4-130.4 -67.3 -101.3 -11.9 62.4 11 8 A E G ><5S+ 0 0 24 -4,-0.6 3,-2.4 1,-0.2 -5,-0.0 0.973 118.4 58.7 -66.5 -49.7 -104.5 -10.3 63.3 12 9 A K G 3 - 0 0 6 -2,-0.5 3,-1.1 1,-0.1 4,-0.4 -0.119 41.3 -86.3 -59.4 162.0 -98.3 -15.6 67.1 18 14AA K T 3 S+ 0 0 168 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.718 116.4 7.7 -39.9 -41.2 -96.2 -18.4 68.7 19 14BA T T 3> S+ 0 0 48 2,-0.1 4,-0.5 1,-0.1 3,-0.5 0.118 85.5 111.6-139.2 27.7 -97.1 -17.6 72.3 20 14CA E H X> S+ 0 0 16 -3,-1.1 4,-1.6 1,-0.2 3,-1.4 0.835 72.4 70.1 -72.0 -28.7 -99.7 -14.9 72.7 21 14DA R H 3> S+ 0 0 131 -4,-0.4 4,-3.0 1,-0.3 5,-0.2 0.863 89.2 64.4 -52.6 -38.5 -102.2 -17.5 74.1 22 14EA E H 3> S+ 0 0 38 -3,-0.5 4,-1.2 1,-0.2 -1,-0.3 0.862 101.5 49.7 -51.3 -41.4 -100.0 -17.5 77.2 23 14FA L H XX S+ 0 0 2 -3,-1.4 4,-1.3 -4,-0.5 3,-0.6 0.940 109.3 50.7 -64.0 -48.1 -101.0 -13.9 77.7 24 14GA L H >X S+ 0 0 93 -4,-1.6 4,-1.1 1,-0.3 3,-0.5 0.912 108.3 52.8 -55.3 -47.0 -104.6 -14.7 77.2 25 14HA E H 3X S+ 0 0 73 -4,-3.0 4,-2.7 1,-0.2 -1,-0.3 0.767 99.2 64.6 -59.9 -29.9 -104.3 -17.5 79.9 26 14IA S H << S+ 0 0 11 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.921 97.7 54.2 -62.2 -43.1 -102.8 -15.0 82.3 27 14JA Y H << S+ 0 0 35 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.906 116.8 38.8 -57.4 -40.9 -106.1 -13.1 82.3 28 14KA I H < S- 0 0 137 -4,-1.1 -2,-0.2 1,-0.0 -3,-0.1 0.977 116.3-112.7 -68.9 -77.3 -107.7 -16.4 83.3 29 14LA D < 0 0 152 -4,-2.7 -3,-0.1 135,-0.0 -4,-0.1 0.001 360.0 360.0 170.5 -40.2 -105.0 -17.7 85.6 30 14MA G 0 0 88 -5,-0.1 -4,-0.2 0, 0.0 -5,-0.1 -0.006 360.0 360.0-152.8 360.0 -103.5 -20.7 83.9 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 16 B I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 137.6 -84.1 -10.5 76.5 33 17 B V B +A 223 0A 20 190,-3.2 190,-1.3 1,-0.2 143,-0.1 -0.895 360.0 0.7-107.1 133.4 -83.3 -13.4 78.9 34 18 B E S S+ 0 0 97 -2,-0.4 -1,-0.2 188,-0.2 2,-0.1 0.864 104.6 115.2 62.4 35.2 -85.0 -16.8 78.5 35 19 B G - 0 0 28 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.041 55.8-127.7-108.1-144.1 -87.1 -15.6 75.5 36 20 B S E -B 186 0B 62 150,-1.2 150,-1.5 -2,-0.1 2,-0.1 -0.987 34.3 -67.2-164.6 165.0 -87.0 -16.8 71.9 37 21 B D E -B 185 0B 102 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.418 56.9-130.7 -61.1 128.7 -86.6 -15.7 68.4 38 22 B A - 0 0 7 146,-2.7 2,-0.3 59,-0.1 -1,-0.1 -0.360 22.2-102.7 -76.5 161.4 -89.7 -13.6 67.5 39 23 B E > - 0 0 48 1,-0.1 3,-2.4 -2,-0.1 4,-0.2 -0.667 47.6 -89.5 -86.4 140.0 -91.7 -14.3 64.4 40 24 B I T 3 S+ 0 0 68 -2,-0.3 -1,-0.1 1,-0.3 57,-0.1 -0.156 114.1 7.8 -47.8 133.2 -91.2 -11.9 61.5 41 25 B G T 3 S+ 0 0 12 55,-0.1 -32,-0.4 2,-0.1 -1,-0.3 0.650 88.7 128.9 66.1 16.4 -93.7 -9.0 61.8 42 26 B M S < S+ 0 0 5 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.566 84.8 23.0 -77.0 -7.4 -94.7 -10.2 65.2 43 27 B S > + 0 0 14 -4,-0.2 3,-2.5 102,-0.1 -1,-0.3 -0.371 68.2 173.8-157.3 63.3 -94.1 -6.7 66.6 44 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.5 0, 0.0 51,-0.2 0.587 78.6 61.7 -54.1 -9.9 -94.3 -4.2 63.7 45 29 B W T 3 S+ 0 0 3 101,-0.2 18,-1.4 103,-0.1 104,-0.1 0.438 73.1 118.2 -97.1 -1.6 -94.0 -1.3 66.2 46 30 B Q E < -J 62 0C 5 -3,-2.5 49,-1.0 16,-0.2 2,-0.4 -0.446 46.0-167.3 -66.1 134.5 -90.6 -2.3 67.5 47 31 B V E -JK 61 94C 0 14,-3.6 14,-1.4 47,-0.2 2,-0.5 -0.962 10.4-143.6-126.8 144.2 -88.1 0.4 66.8 48 32 B M E -JK 60 93C 0 45,-2.4 45,-2.2 -2,-0.4 2,-1.1 -0.934 4.2-147.7-112.6 130.2 -84.3 0.2 67.0 49 33 B L E -JK 59 92C 0 10,-2.1 9,-3.3 -2,-0.5 10,-1.1 -0.793 23.3-169.7 -95.1 96.7 -82.1 3.1 68.3 50 34 B F E -JK 57 91C 34 41,-1.5 41,-1.6 -2,-1.1 7,-0.2 -0.759 12.3-140.0 -94.1 125.7 -78.9 2.6 66.3 51 35 B R E > -JK 56 90C 75 5,-3.6 5,-0.9 -2,-0.5 39,-0.2 -0.508 5.5-140.5 -81.3 152.9 -75.9 4.7 67.3 52 36 B K E 5S+J 55 0C 66 37,-1.9 3,-0.5 1,-0.2 38,-0.1 0.706 80.4 44.5 -87.0 -23.9 -73.6 6.2 64.6 53 36AB S T 5S+ 0 0 93 1,-0.8 -1,-0.2 36,-0.4 2,-0.2 -0.615 121.3 24.9-175.2 111.9 -70.2 5.6 66.2 54 37 B P T 5S- 0 0 69 0, 0.0 -1,-0.8 0, 0.0 2,-0.6 0.406 106.4-133.7 -60.9 136.6 -69.4 3.1 67.4 55 38 B Q E 5 +J 52 0C 151 -3,-0.5 2,-0.3 -2,-0.2 -3,-0.2 -0.559 59.0 111.5 -67.9 115.1 -72.1 1.9 65.0 56 39 B E E > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-2.1 0.917 104.2 57.3 -78.9 -43.8 -85.3 8.8 78.7 74 57 B H T 34 S+ 0 0 18 1,-0.3 -1,-0.2 2,-0.2 155,-0.0 0.597 89.6 74.5 -64.3 -9.7 -82.1 7.2 80.0 75 58 B b T 34 S+ 0 0 0 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.770 115.5 21.2 -71.9 -20.3 -81.5 5.6 76.6 76 59 B L T <4 S+ 0 0 2 -3,-2.1 9,-3.2 1,-0.3 2,-0.4 0.732 132.2 30.0-113.8 -38.8 -80.5 9.1 75.4 77 60 B L E < +P 84 0D 38 -4,-2.3 -1,-0.3 7,-0.2 7,-0.2 -0.952 58.1 144.0-136.7 114.8 -79.6 11.1 78.5 78 60AB Y E > > -P 83 0D 46 5,-2.6 5,-2.3 -2,-0.4 3,-1.4 -0.714 23.3-169.4-151.2 89.5 -78.1 9.6 81.6 79 60BB P G > 5S+ 0 0 53 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.805 82.0 69.7 -50.2 -40.9 -75.4 11.8 83.4 80 60CB P G 3 5S+ 0 0 65 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.865 111.5 34.5 -50.5 -35.2 -74.2 9.0 85.7 81 60DB W G < 5S- 0 0 176 -3,-1.4 3,-0.1 2,-0.1 -3,-0.0 0.172 118.3-109.5-104.1 17.2 -72.7 7.4 82.7 82 60EB D T < 5 + 0 0 159 -3,-2.6 2,-0.6 1,-0.2 -5,-0.0 0.892 65.9 159.3 57.6 39.3 -71.8 10.6 80.9 83 60FB K E < +P 78 0D 40 -5,-2.3 -5,-2.6 2,-0.0 2,-0.2 -0.856 11.2 145.2-103.4 119.2 -74.6 9.9 78.4 84 60GB N E -P 77 0D 124 -2,-0.6 2,-0.5 -7,-0.2 -7,-0.2 -0.716 22.4-171.8-150.4 92.4 -76.0 12.7 76.4 85 60HB F - 0 0 23 -9,-3.2 2,-0.1 -2,-0.2 -2,-0.0 -0.766 8.5-153.1 -93.3 126.3 -77.1 11.8 72.8 86 60IB T > - 0 0 65 -2,-0.5 3,-1.7 1,-0.1 4,-0.3 -0.469 36.1 -98.5 -88.6 165.0 -78.2 14.6 70.4 87 61 B E G > S+ 0 0 44 1,-0.3 3,-0.7 2,-0.2 25,-0.4 0.794 124.5 50.6 -53.2 -31.5 -80.6 13.9 67.5 88 62 B N G 3 S+ 0 0 100 1,-0.2 -1,-0.3 23,-0.1 -3,-0.0 0.628 87.6 81.0 -84.6 -13.4 -77.7 13.6 65.1 89 63 B D G < S- 0 0 60 -3,-1.7 -37,-1.9 -38,-0.1 -36,-0.4 0.583 110.9 -13.0 -68.1 -7.2 -75.8 11.1 67.2 90 64 B L E < -K 51 0C 0 -3,-0.7 22,-0.4 -4,-0.3 2,-0.3 -0.896 59.2-137.7-165.4-167.0 -78.0 8.5 65.8 91 65 B L E -K 50 0C 32 -41,-1.6 -41,-1.5 -2,-0.3 2,-0.5 -0.946 28.0 -96.8-161.2 174.4 -81.1 7.5 63.9 92 66 B V E -KN 49 110C 0 18,-1.4 18,-3.0 -2,-0.3 2,-0.6 -0.913 16.7-158.7-115.4 130.8 -84.0 5.0 64.0 93 67 B R E -KN 48 109C 20 -45,-2.2 -45,-2.4 -2,-0.5 2,-0.3 -0.919 21.8-167.6-102.8 116.7 -84.2 1.7 62.1 94 68 B I E +KN 47 108C 0 14,-3.4 14,-2.5 -2,-0.6 -47,-0.2 -0.822 60.8 21.3-109.2 148.4 -87.9 0.7 61.8 95 69 B G S S+ 0 0 7 -49,-1.0 -1,-0.2 -2,-0.3 -48,-0.1 0.702 84.8 154.9 72.9 20.5 -89.4 -2.6 60.8 96 70 B K + 0 0 16 -50,-0.3 -1,-0.2 -3,-0.3 -55,-0.1 -0.352 26.9 171.6 -80.5 160.7 -86.2 -4.6 61.5 97 71 B H + 0 0 34 4,-0.2 87,-2.5 1,-0.2 -1,-0.1 0.510 64.3 63.7-128.8 -57.6 -85.9 -8.3 62.4 98 72 B S B S-Q 183 0E 8 85,-0.2 85,-0.2 3,-0.2 -1,-0.2 -0.328 78.0-132.6 -70.3 158.7 -82.2 -9.1 62.4 99 73 B R S S+ 0 0 46 83,-2.5 84,-0.1 82,-0.1 -1,-0.1 0.869 93.9 3.0 -81.8 -37.2 -80.0 -7.3 65.0 100 74 B T S S+ 0 0 81 82,-0.4 3,-0.1 2,-0.1 83,-0.1 0.802 99.8 96.5-116.1 -49.6 -77.3 -6.3 62.6 101 75 B R S S- 0 0 186 1,-0.1 -4,-0.2 2,-0.0 -3,-0.2 -0.171 74.5-119.2 -51.1 135.4 -78.0 -7.2 59.0 102 76 B Y - 0 0 127 -6,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.469 25.3-146.9 -70.7 150.9 -79.5 -4.4 56.9 103 77 B E >> - 0 0 29 -2,-0.1 4,-2.8 -3,-0.1 3,-1.6 -0.583 7.9-156.1-132.0 78.7 -82.9 -5.4 55.6 104 77AB R T 34 S+ 0 0 185 -2,-0.3 3,-0.1 1,-0.3 4,-0.1 0.112 80.4 9.8 -41.2 158.0 -83.8 -4.0 52.2 105 78 B N T 34 S+ 0 0 162 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.645 130.4 59.8 38.9 21.1 -87.5 -3.7 51.3 106 79 B I T <4 S+ 0 0 44 -3,-1.6 2,-0.3 1,-0.4 -1,-0.2 0.496 96.5 46.1-133.3 -62.1 -88.2 -4.6 55.0 107 80 B E < - 0 0 9 -4,-2.8 -1,-0.4 -3,-0.1 2,-0.4 -0.685 64.3-155.8 -93.9 143.3 -86.7 -2.0 57.3 108 81 B K E -N 94 0C 98 -14,-2.5 -14,-3.4 -2,-0.3 2,-0.5 -0.902 8.8-141.7-115.6 145.1 -86.9 1.7 56.9 109 82 B I E -N 93 0C 54 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.904 18.4-169.9-109.7 132.3 -84.5 4.3 58.3 110 83 B S E -N 92 0C 10 -18,-3.0 -18,-1.4 -2,-0.5 2,-0.5 -0.764 19.2-126.9-116.9 165.3 -85.6 7.6 59.7 111 84 B M - 0 0 71 -2,-0.3 26,-2.6 -20,-0.2 2,-0.4 -0.949 27.8-119.9-113.0 127.2 -83.8 10.7 60.8 112 85 B L E -O 136 0C 3 -2,-0.5 24,-0.2 -25,-0.4 3,-0.1 -0.513 28.9-179.8 -67.4 120.5 -84.6 12.1 64.3 113 86 B E E - 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