==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-12 4BAH . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE,D.MUSIL . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 60.0 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 . 4 1.4 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 . 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.0 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 6 A E > 0 0 175 0, 0.0 3,-0.8 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 168.7 15.4 18.9 18.7 2 7 A A T 3 + 0 0 84 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.683 360.0 46.1 -69.7 -23.0 13.0 21.5 20.3 3 8 A D T > S+ 0 0 57 145,-0.0 3,-1.2 2,-0.0 -1,-0.2 0.309 83.1 136.0-103.2 3.2 10.1 19.6 18.6 4 9 A a T < + 0 0 17 -3,-0.8 144,-0.2 1,-0.2 145,-0.1 -0.159 67.8 14.0 -55.2 147.7 11.0 16.0 19.6 5 10 A G T 3 S+ 0 0 0 142,-2.9 238,-2.1 237,-0.2 2,-0.6 0.580 91.9 116.8 66.5 15.7 8.4 13.5 20.9 6 11 A L < - 0 0 27 -3,-1.2 -1,-0.2 141,-0.4 236,-0.1 -0.964 59.6-141.0-116.8 110.9 5.4 15.7 19.8 7 12 A R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.4 -0.594 6.0-142.3 -78.3 131.0 3.3 13.8 17.2 8 13 A P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.818 104.0 42.9 -58.1 -31.8 1.8 15.8 14.3 9 14 A L T 3 5S+ 0 0 27 134,-0.4 32,-0.1 31,-0.3 134,-0.0 0.490 130.5 18.8 -94.6 -4.5 -1.4 13.7 14.4 10 15 A F T X >S+ 0 0 15 -3,-1.4 5,-2.8 30,-0.1 3,-1.4 0.468 129.0 24.5-125.4 -89.9 -1.7 13.6 18.2 11 16 A E G > 5S+ 0 0 32 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.837 120.4 56.7 -51.7 -43.6 0.0 16.2 20.6 12 17 A K G 3 > S+ 0 0 43 2,-0.1 3,-1.2 1,-0.1 4,-0.9 0.445 86.4 97.9-124.1 -0.9 -4.3 3.8 25.0 20 25 A E H 3> S+ 0 0 12 -3,-0.3 4,-2.0 1,-0.3 3,-0.3 0.822 80.3 63.7 -59.1 -27.3 -2.0 6.7 26.1 21 26 A R H 3> S+ 0 0 130 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.844 94.7 60.5 -62.0 -36.4 -4.3 7.3 29.1 22 27 A E H <> S+ 0 0 49 -3,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.879 106.6 46.7 -58.3 -37.7 -3.3 3.7 30.3 23 28 A L H >X S+ 0 0 0 -4,-0.9 3,-0.7 -3,-0.3 4,-0.5 0.959 112.3 48.3 -68.7 -50.3 0.3 5.0 30.5 24 29 A L H >< S+ 0 0 90 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.891 108.2 55.0 -55.2 -45.0 -0.6 8.2 32.3 25 30 A E H 3< S+ 0 0 134 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.775 104.2 55.3 -61.5 -27.2 -2.7 6.3 34.9 26 31 A S H << S+ 0 0 17 -4,-1.0 2,-1.5 -3,-0.7 -1,-0.3 0.587 85.6 87.1 -80.4 -12.8 0.4 4.0 35.7 27 32 A Y << + 0 0 20 -3,-1.5 -1,-0.2 -4,-0.5 136,-0.0 -0.644 55.8 168.3 -91.6 78.4 2.5 7.2 36.5 28 33 A I 0 0 143 -2,-1.5 -1,-0.2 0, 0.0 -3,-0.0 0.457 360.0 360.0 -74.5 -6.9 1.4 7.3 40.1 29 34 A D 0 0 134 129,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.886 360.0 360.0-106.9 360.0 3.9 10.0 41.5 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 37 B I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.0 4.7 -8.1 19.0 32 38 B V B +A 223 0A 13 191,-2.8 191,-1.6 1,-0.2 143,-0.1 -0.843 360.0 0.7-101.4 134.3 2.7 -10.8 20.8 33 39 B E S S+ 0 0 127 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.822 102.0 120.8 59.9 36.7 -0.8 -10.0 22.2 34 40 B G - 0 0 29 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.152 55.6-120.1-104.7-156.3 -0.6 -6.3 21.1 35 41 B S E -B 186 0B 59 151,-2.0 151,-2.5 -2,-0.1 2,-0.1 -0.926 34.9 -75.3-146.3 165.5 -3.0 -4.4 18.7 36 42 B D E -B 185 0B 110 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.476 52.9-119.1 -62.7 137.1 -2.8 -2.6 15.4 37 43 B A - 0 0 6 147,-3.0 2,-0.2 -2,-0.1 -1,-0.1 -0.370 25.4-114.4 -69.8 154.9 -1.2 0.8 15.8 38 44 B E > - 0 0 39 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.556 46.1 -82.7 -83.2 158.6 -3.2 3.9 14.9 39 45 B I T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.427 117.5 6.9 -63.1 130.5 -2.0 6.0 11.9 40 46 B G T 3 S+ 0 0 12 -2,-0.1 -31,-0.3 2,-0.1 -1,-0.3 0.561 91.4 128.6 72.0 12.7 0.8 8.4 13.0 41 47 B M S < S+ 0 0 5 -3,-1.9 -2,-0.1 1,-0.3 -34,-0.1 0.795 82.3 20.0 -66.9 -36.3 0.9 6.8 16.5 42 48 B S > + 0 0 9 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.655 69.4 169.1-133.5 73.9 4.7 6.1 16.4 43 49 B P T 3 S+ 0 0 2 0, 0.0 103,-1.5 0, 0.0 51,-0.2 0.619 77.6 59.9 -69.7 -9.7 6.1 8.5 13.8 44 50 B W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.405 77.4 122.0 -89.5 -3.4 9.7 7.8 15.0 45 51 B Q E < -J 61 0C 3 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.443 43.6-170.0 -65.9 130.0 9.2 4.0 14.1 46 52 B V E -JK 60 93C 0 14,-2.5 14,-1.4 -2,-0.2 2,-0.5 -0.952 15.1-145.1-121.0 142.8 11.8 2.9 11.6 47 53 B M E -JK 59 92C 0 45,-2.5 45,-2.6 -2,-0.4 2,-0.6 -0.942 10.1-146.0-104.5 127.8 12.0 -0.4 9.7 48 54 B L E -JK 58 91C 0 10,-3.3 9,-3.1 -2,-0.5 10,-1.4 -0.847 25.3-163.9 -90.8 119.8 15.5 -1.9 9.1 49 55 B F E -JK 56 90C 0 41,-2.9 41,-2.6 -2,-0.6 2,-0.3 -0.961 15.9-139.2-119.7 121.8 15.1 -3.5 5.7 50 56 B R E > -JK 55 89C 80 5,-2.7 5,-1.5 -2,-0.5 39,-0.2 -0.656 10.4-149.4 -76.6 130.5 17.5 -6.1 4.2 51 57 B K T 5S+ 0 0 39 37,-1.9 3,-0.2 -2,-0.3 -1,-0.1 0.879 77.3 52.6 -67.4 -46.9 18.0 -5.5 0.4 52 58 B S T 5S+ 0 0 95 1,-0.4 -1,-0.3 36,-0.4 2,-0.2 -0.916 118.4 21.2-146.3 116.5 18.6 -9.1 -0.6 53 59 B P T 5S- 0 0 81 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 0.619 106.0-121.7 -68.2 147.8 16.6 -11.2 0.2 54 60 B Q T 5 + 0 0 55 -3,-0.2 231,-0.3 -2,-0.2 2,-0.3 -0.544 61.9 129.5 -63.5 104.2 14.0 -8.4 0.6 55 61 B E E < -J 50 0C 74 -5,-1.5 -5,-2.7 -2,-0.6 2,-0.4 -0.986 64.7 -82.5-156.5 166.2 13.0 -8.8 4.3 56 62 B L E +J 49 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.583 36.8 176.2 -73.3 123.8 12.4 -7.2 7.7 57 63 B L E - 0 0 18 -9,-3.1 2,-0.3 1,-0.4 170,-0.2 0.828 56.1 -54.8 -93.2 -45.5 15.7 -7.0 9.5 58 64 B b E -J 48 0C 3 -10,-1.4 -10,-3.3 170,-0.1 -1,-0.4 -0.966 52.0 -87.2-176.8 175.4 14.6 -5.2 12.7 59 65 B G E +J 47 0C 2 170,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.442 42.3 169.6 -94.2 174.3 12.9 -2.1 14.2 60 66 B A E -J 46 0C 0 -14,-1.4 -14,-2.5 -2,-0.2 2,-0.3 -0.920 23.4-119.8-168.2 179.3 14.7 1.1 14.9 61 67 B S E -JL 45 69C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.6 -0.995 14.9-122.7-142.1 147.3 13.8 4.7 15.8 62 68 B L E + L 0 68C 0 -18,-2.1 86,-2.0 -2,-0.3 6,-0.2 -0.769 30.5 168.3 -87.9 120.2 14.3 8.2 14.4 63 69 B I - 0 0 17 4,-2.4 2,-0.2 -2,-0.6 5,-0.2 0.584 69.1 -10.2-108.9 -12.8 16.2 10.5 16.8 64 70 B S S S- 0 0 29 3,-1.1 -1,-0.2 85,-0.1 84,-0.1 -0.871 88.7 -79.2-161.7-174.5 17.0 13.5 14.5 65 71 B D S S+ 0 0 74 -2,-0.2 74,-2.7 1,-0.2 72,-0.1 0.653 130.5 26.3 -74.4 -12.9 16.7 14.1 10.7 66 72 B R S S+ 0 0 66 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.436 108.4 79.6-125.0 -6.7 20.0 12.2 10.1 67 73 B W E - M 0 134C 8 67,-0.2 -4,-2.4 65,-0.0 -3,-1.1 -0.930 47.8-173.9-119.6 136.5 20.3 9.7 13.0 68 74 B V E -LM 62 133C 0 65,-2.3 65,-2.1 -2,-0.4 2,-0.4 -0.978 12.9-148.8-124.6 133.3 18.6 6.4 13.6 69 75 B L E +LM 61 132C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.853 28.4 149.6-104.7 136.6 18.9 4.3 16.9 70 76 B T E - M 0 131C 0 61,-2.7 61,-2.3 -2,-0.4 2,-0.4 -0.808 48.8 -79.1-147.7-175.1 18.7 0.5 16.9 71 77 B A > - 0 0 0 -12,-0.4 3,-1.5 59,-0.3 4,-0.4 -0.807 33.5-133.0 -91.8 136.2 20.0 -2.6 18.8 72 78 B A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.3 3,-1.8 0.844 104.4 65.0 -57.7 -33.9 23.6 -3.7 18.0 73 79 B H G 34 S+ 0 0 14 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.700 90.7 66.0 -66.6 -17.7 22.4 -7.3 17.7 74 80 B b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.731 117.4 24.9 -66.0 -30.7 20.4 -6.2 14.6 75 81 B L T <4 S+ 0 0 0 -3,-1.8 9,-2.2 -4,-0.4 2,-0.4 0.677 131.6 31.9-106.3 -32.6 23.6 -5.4 12.8 76 82 B L E < +P 83 0D 36 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.923 57.8 139.7-137.7 113.1 26.2 -7.7 14.5 77 83 B Y E > > -P 82 0D 42 5,-2.9 5,-2.0 -2,-0.4 3,-1.9 -0.585 21.5-174.0-151.4 82.2 25.5 -11.1 16.0 78 84 B P G > 5S+ 0 0 47 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.806 80.8 66.7 -49.1 -37.9 28.2 -13.7 15.4 79 85 B P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.809 113.5 33.6 -55.6 -27.2 26.3 -16.7 16.9 80 86 B W G < 5S- 0 0 171 -3,-1.9 3,-0.1 2,-0.1 -3,-0.0 0.093 117.3-109.9-111.9 19.3 23.8 -16.3 14.0 81 87 B D T < 5 + 0 0 153 -3,-2.2 2,-0.6 1,-0.2 -5,-0.0 0.785 66.5 153.1 56.7 31.7 26.4 -15.2 11.3 82 88 B K E < +P 77 0D 40 -5,-2.0 -5,-2.9 -9,-0.1 -1,-0.2 -0.835 5.0 141.2 -94.7 122.6 24.9 -11.7 11.3 83 89 B N E -P 76 0D 115 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.458 27.6-173.2-157.6 73.8 27.4 -8.9 10.4 84 90 B F - 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