==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JAN-11 3QGN . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.NIU,D.GOHARA,Z.CHEN,E.DI CERA . 276 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 60.5 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 27.5 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 . 1 0.4 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.8 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 1 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 1CA E > 0 0 176 0, 0.0 3,-2.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.0 -17.3 -35.2 26.4 2 1BA A T 3 + 0 0 88 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.575 360.0 38.2 -49.3 -26.8 -13.9 -36.0 28.1 3 1AA D T > S+ 0 0 64 145,-0.0 3,-1.2 2,-0.0 -1,-0.3 0.296 82.5 140.4-112.5 10.6 -11.7 -36.0 24.9 4 1 A a T < + 0 0 20 -3,-2.3 144,-0.2 1,-0.2 145,-0.1 -0.106 63.5 17.4 -52.5 144.9 -13.2 -33.1 22.9 5 2 A G T 3 S+ 0 0 0 142,-2.8 233,-1.7 1,-0.2 2,-0.6 0.493 89.0 115.3 77.8 4.6 -11.1 -30.7 20.9 6 3 A L < - 0 0 29 -3,-1.2 -1,-0.2 141,-0.3 231,-0.1 -0.936 60.1-140.2-108.9 110.8 -7.9 -32.8 20.8 7 4 A R > > - 0 0 0 -2,-0.6 5,-2.2 1,-0.1 3,-1.5 -0.585 4.2-144.0 -76.5 124.9 -7.0 -33.8 17.3 8 5 A P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.811 102.7 44.3 -53.4 -35.0 -5.7 -37.4 16.8 9 6 A L T 3 5S+ 0 0 29 134,-0.4 32,-0.1 31,-0.4 134,-0.1 0.482 128.7 20.2 -91.0 -2.3 -3.3 -36.2 14.0 10 7 A F T X >S+ 0 0 14 -3,-1.5 5,-2.7 30,-0.1 3,-1.4 0.503 128.4 23.9-127.3 -85.8 -2.1 -33.1 15.8 11 8 A E G > 5S+ 0 0 30 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.872 121.1 56.4 -56.9 -39.9 -2.3 -32.6 19.6 12 9 A K G 3 > S+ 0 0 36 2,-0.1 4,-0.8 1,-0.1 3,-0.5 0.383 87.2 99.9-130.3 4.6 -1.1 -21.8 11.2 20 14CA E H 3> S+ 0 0 8 -3,-0.4 4,-2.1 1,-0.2 3,-0.3 0.798 77.8 64.7 -66.8 -25.7 -2.2 -22.5 14.8 21 14DA R H 3> S+ 0 0 149 -4,-0.4 4,-3.8 1,-0.2 5,-0.2 0.910 96.6 57.9 -61.3 -40.6 0.8 -20.5 16.3 22 14EA E H <> S+ 0 0 41 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.836 105.9 49.8 -57.0 -37.3 -0.7 -17.4 14.6 23 14FA L H X S+ 0 0 0 -4,-0.8 4,-0.7 -3,-0.3 142,-0.5 0.971 114.9 41.7 -66.8 -53.2 -3.9 -18.0 16.6 24 14GA L H >X S+ 0 0 39 -4,-2.1 4,-1.3 1,-0.2 3,-1.0 0.877 110.2 57.9 -64.9 -35.4 -2.1 -18.4 19.9 25 14HA E H 3< S+ 0 0 93 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.855 100.2 60.4 -58.9 -32.3 0.2 -15.4 19.1 26 14IA S H 3< S+ 0 0 19 -4,-1.2 3,-0.4 -3,-0.5 -1,-0.2 0.753 104.4 48.1 -69.9 -24.0 -2.9 -13.3 18.8 27 14JA Y H << S+ 0 0 17 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.805 107.4 54.9 -84.8 -30.2 -4.0 -13.9 22.4 28 14KA I < 0 0 135 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.191 360.0 360.0 -94.0 17.1 -0.6 -13.2 24.0 29 14LA D 0 0 183 -3,-0.4 -1,-0.1 -4,-0.2 -3,-0.0 -0.654 360.0 360.0 -87.4 360.0 0.0 -9.7 22.6 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 5 0, 0.0 2,-0.4 0, 0.0 188,-0.2 0.000 360.0 360.0 360.0 130.8 -13.7 -19.7 1.9 32 17 B V B +A 218 0A 36 186,-2.0 186,-1.5 140,-0.1 3,-0.1 -0.943 360.0 9.5-117.8 139.5 -12.0 -16.9 -0.0 33 18 B E S S+ 0 0 125 -2,-0.4 183,-0.2 184,-0.2 -1,-0.1 0.771 98.7 122.6 61.5 29.0 -8.2 -16.0 0.4 34 19 B G - 0 0 30 -3,-0.1 2,-0.3 148,-0.1 148,-0.2 -0.173 56.4-120.2 -95.3-162.5 -7.5 -19.1 2.5 35 20 B S E -B 181 0B 62 146,-1.9 146,-2.5 -2,-0.1 -3,-0.0 -0.944 39.5 -78.4-138.2 159.6 -5.1 -22.0 2.1 36 21 B D E -B 180 0B 108 -2,-0.3 144,-0.3 144,-0.2 2,-0.1 -0.274 49.2-121.1 -56.7 140.4 -5.6 -25.8 1.8 37 22 B A - 0 0 7 142,-3.7 2,-0.2 59,-0.2 -1,-0.1 -0.512 23.6-117.2 -77.2 150.7 -6.3 -27.5 5.1 38 23 B E > - 0 0 41 -2,-0.1 3,-1.8 1,-0.1 4,-0.3 -0.605 45.1 -84.2 -77.4 152.1 -3.9 -30.3 6.2 39 24 B I T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.368 115.6 10.2 -56.6 128.7 -5.4 -33.8 6.6 40 25 B G T 3 S+ 0 0 11 104,-0.1 -31,-0.4 2,-0.1 -1,-0.3 0.542 90.9 122.3 80.0 7.7 -7.1 -34.2 10.0 41 26 B M S < S+ 0 0 4 -3,-1.8 -2,-0.1 1,-0.3 3,-0.1 0.769 84.6 24.3 -72.1 -30.6 -6.8 -30.5 10.8 42 27 B S > + 0 0 14 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.567 69.5 162.9-135.6 65.7 -10.6 -30.0 11.3 43 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.3 0, 0.0 51,-0.2 0.585 74.1 61.8 -74.0 -5.9 -11.9 -33.4 12.2 44 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.6 103,-0.1 2,-0.2 0.371 76.6 122.4 -89.9 -3.6 -15.1 -31.9 13.6 45 30 B Q E < -J 61 0C 8 -3,-2.1 49,-1.1 16,-0.2 2,-0.4 -0.444 40.2-175.6 -64.7 131.3 -16.0 -30.5 10.2 46 31 B V E -JK 60 93C 0 14,-2.3 14,-1.4 -2,-0.2 2,-0.5 -0.973 15.7-149.5-130.2 141.9 -19.4 -31.6 8.8 47 32 B M E -JK 59 92C 6 45,-2.3 45,-2.3 -2,-0.4 2,-0.5 -0.953 12.4-145.5-110.6 132.9 -21.1 -31.0 5.5 48 33 B L E -JK 58 91C 0 10,-2.9 9,-3.1 -2,-0.5 10,-1.2 -0.870 20.4-173.8 -99.5 126.1 -24.9 -30.8 5.3 49 34 B F E -JK 56 90C 13 41,-2.9 41,-2.2 -2,-0.5 2,-0.4 -0.876 30.6-123.2-116.7 146.0 -26.5 -32.1 2.1 50 35 B R E > -JK 55 89C 76 5,-2.4 5,-1.0 -2,-0.3 39,-0.3 -0.749 26.4-148.3 -73.8 134.0 -30.0 -32.2 0.7 51 36 B K T 5S+ 0 0 75 37,-3.3 3,-0.3 -2,-0.4 38,-0.2 0.945 76.7 49.5 -74.0 -53.0 -30.5 -35.9 0.2 52 36AB S T 5S+ 0 0 97 36,-0.5 -1,-0.3 1,-0.4 2,-0.1 -0.942 121.5 19.7-141.0 115.8 -32.8 -35.6 -2.9 53 37 B P T 5S- 0 0 81 0, 0.0 -1,-0.4 0, 0.0 -3,-0.2 0.547 105.3-118.7 -84.7 154.3 -31.9 -33.9 -5.0 54 38 B Q T 5 + 0 0 132 -3,-0.3 2,-0.2 -2,-0.1 -3,-0.2 -0.250 51.2 144.6 -61.4 136.9 -28.2 -33.9 -4.0 55 39 B E E < -J 50 0C 94 -5,-1.0 -5,-2.4 -3,-0.0 2,-0.4 -0.797 51.2-117.2-176.5 121.4 -26.8 -30.5 -3.1 56 40 B L E +J 49 0C 36 -2,-0.2 -7,-0.2 -7,-0.2 3,-0.1 -0.575 37.8 169.7 -64.8 120.4 -24.3 -29.0 -0.6 57 41 B L E - 0 0 24 -9,-3.1 2,-0.3 -2,-0.4 -8,-0.2 0.854 49.8 -23.4 -97.9 -52.4 -26.3 -26.7 1.7 58 42 B b E -J 48 0C 7 -10,-1.2 -10,-2.9 165,-0.1 -1,-0.3 -0.956 54.4-103.0-157.4 162.6 -24.2 -25.7 4.7 59 43 B G E +J 47 0C 6 165,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.437 40.4 170.2 -82.5 173.8 -21.2 -26.4 6.9 60 44 B A E -J 46 0C 0 -14,-1.4 -14,-2.3 -2,-0.2 2,-0.4 -0.941 23.2-117.0-169.5 177.7 -21.8 -27.8 10.4 61 45 B S E -JL 45 69C 0 8,-2.6 8,-3.1 -2,-0.3 2,-0.5 -0.993 12.8-126.4-139.0 145.4 -19.8 -29.2 13.3 62 46 B L E + L 0 68C 0 -18,-2.6 86,-2.3 -2,-0.4 6,-0.2 -0.731 29.1 168.4 -83.7 120.3 -19.5 -32.5 15.3 63 47 B I - 0 0 12 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.518 67.2 -10.6-115.2 -8.5 -19.9 -31.9 19.0 64 48 B S S S- 0 0 23 3,-1.0 -1,-0.2 85,-0.1 84,-0.1 -0.919 88.4 -76.5-162.7-169.5 -20.3 -35.5 20.2 65 49 B D S S+ 0 0 64 -2,-0.3 74,-2.5 1,-0.2 72,-0.1 0.619 129.9 24.3 -71.5 -9.4 -20.8 -39.0 18.7 66 50 B R S S+ 0 0 43 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.444 108.1 77.3-134.5 -12.0 -24.5 -38.2 18.1 67 51 B W E - M 0 134C 8 67,-0.2 -4,-2.6 65,-0.0 -3,-1.0 -0.940 47.9-170.3-120.9 133.0 -24.9 -34.4 17.8 68 52 B V E -LM 62 133C 0 65,-2.6 65,-2.6 -2,-0.4 2,-0.4 -0.973 12.7-148.3-120.2 132.4 -24.2 -31.9 15.1 69 53 B L E +LM 61 132C 0 -8,-3.1 -8,-2.6 -2,-0.4 2,-0.2 -0.816 29.9 145.5-100.4 135.0 -24.3 -28.1 15.5 70 54 B T E - M 0 131C 0 61,-2.7 61,-2.4 -2,-0.4 2,-0.3 -0.853 49.8 -73.6-149.8-174.5 -25.3 -25.7 12.6 71 55 B A > - 0 0 0 -12,-0.4 3,-0.9 59,-0.3 4,-0.4 -0.722 32.7-134.9 -90.7 141.0 -27.0 -22.4 11.8 72 56 B A G >> S+ 0 0 0 -2,-0.3 4,-3.2 1,-0.2 3,-1.5 0.826 102.7 64.3 -61.5 -34.4 -30.8 -22.4 12.0 73 57 B H G 34 S+ 0 0 30 1,-0.3 -1,-0.2 2,-0.2 172,-0.0 0.682 91.3 65.1 -68.3 -19.0 -31.0 -20.5 8.7 74 58 B b G <4 S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.739 118.7 24.0 -68.2 -26.8 -29.5 -23.5 6.9 75 59 B L T <4 S+ 0 0 0 -3,-1.5 9,-2.4 -4,-0.4 2,-0.4 0.741 127.9 34.6-110.0 -39.9 -32.6 -25.5 7.8 76 60 B L E < +P 83 0D 31 -4,-3.2 -1,-0.3 7,-0.2 7,-0.2 -0.979 49.9 141.6-130.5 126.2 -35.4 -23.0 8.4 77 60AB Y E > > -P 82 0D 58 5,-2.9 5,-1.9 -2,-0.4 3,-1.6 -0.516 22.9-171.1-158.8 82.5 -36.1 -19.7 6.6 78 60BB P G > 5S+ 0 0 45 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 0.772 79.8 64.0 -51.7 -40.9 -39.9 -19.2 6.0 79 60CB P G 3 5S+ 0 0 80 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.830 111.4 41.0 -59.4 -26.3 -39.7 -16.1 3.8 80 60DB W G < 5S- 0 0 184 -3,-1.6 3,-0.1 2,-0.1 0, 0.0 0.171 117.5-115.2 -96.7 12.6 -38.0 -18.4 1.2 81 60EB D T < 5 + 0 0 147 -3,-2.8 2,-0.5 1,-0.2 -5,-0.0 0.721 65.2 153.4 59.8 22.1 -40.3 -21.3 2.0 82 60FB K E < +P 77 0D 48 -5,-1.9 -5,-2.9 1,-0.1 -1,-0.2 -0.739 2.6 141.0 -87.0 123.6 -37.2 -23.1 3.4 83 60GB N E -P 76 0D 109 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.391 28.1-169.1-164.3 68.7 -38.2 -25.6 6.0 84 60HB F - 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