==== 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 4BAK . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE,D.MUSIL . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 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 26.6 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 . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.7 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 1 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 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 7 A A 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-158.0 13.2 21.3 19.8 2 8 A D > + 0 0 66 144,-0.0 3,-1.3 3,-0.0 145,-0.1 0.075 360.0 148.8-105.5 23.6 9.8 19.6 18.9 3 9 A a T 3 + 0 0 34 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.192 63.9 15.8 -56.2 147.5 11.0 16.0 19.6 4 10 A G T 3 S+ 0 0 0 141,-2.9 237,-2.0 236,-0.2 2,-0.6 0.563 93.0 115.8 65.6 15.1 8.4 13.6 20.9 5 11 A L < - 0 0 31 -3,-1.3 -1,-0.2 140,-0.3 235,-0.1 -0.968 60.4-140.4-115.3 112.7 5.4 15.7 19.9 6 12 A R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.5 -0.621 6.4-141.1 -79.6 130.7 3.3 13.9 17.2 7 13 A P T 3 5S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.819 104.4 43.3 -55.9 -32.9 1.9 15.9 14.3 8 14 A L T 3 5S+ 0 0 28 133,-0.5 31,-0.1 30,-0.4 133,-0.0 0.474 130.0 18.8 -94.5 -2.3 -1.3 13.8 14.5 9 15 A F T X>>S+ 0 0 15 -3,-1.5 5,-2.6 29,-0.1 3,-1.4 0.432 129.3 24.1-127.0 -90.0 -1.8 13.7 18.2 10 16 A E G >45S+ 0 0 32 1,-0.3 3,-1.0 3,-0.2 -5,-0.1 0.826 120.7 56.4 -52.5 -42.8 0.0 16.3 20.6 11 17 A K G 34> S+ 0 0 48 2,-0.1 3,-1.0 1,-0.1 4,-0.9 0.419 86.2 98.6-123.9 0.8 -4.2 3.9 25.0 19 25 A E H 3> S+ 0 0 12 -3,-0.4 4,-1.9 1,-0.2 3,-0.4 0.826 79.9 63.3 -60.9 -27.6 -2.0 6.8 26.1 20 26 A R H 3> S+ 0 0 129 -4,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.848 94.5 61.6 -61.7 -36.1 -4.3 7.3 29.2 21 27 A E H <> S+ 0 0 48 -3,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.889 106.6 45.9 -55.4 -40.3 -3.2 3.7 30.4 22 28 A L H >X S+ 0 0 0 -4,-0.9 4,-0.6 -3,-0.4 3,-0.6 0.951 112.9 48.1 -68.1 -49.8 0.4 5.0 30.5 23 29 A L H >< S+ 0 0 88 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.913 108.8 54.1 -56.9 -45.2 -0.5 8.3 32.3 24 30 A E H 3< S+ 0 0 133 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.776 104.4 56.1 -62.4 -26.2 -2.7 6.3 34.9 25 31 A S H << S+ 0 0 16 -4,-1.1 2,-1.7 -3,-0.6 -1,-0.3 0.625 84.8 84.8 -79.4 -13.3 0.4 4.1 35.6 26 32 A Y << 0 0 27 -3,-1.6 -1,-0.2 -4,-0.6 135,-0.0 -0.602 360.0 360.0 -90.5 72.6 2.5 7.2 36.6 27 33 A I 0 0 179 -2,-1.7 -1,-0.2 0, 0.0 -2,-0.1 0.389 360.0 360.0 -80.1 360.0 1.2 7.2 40.1 28 !* 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 29 37 B I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 127.0 4.7 -8.0 19.0 30 38 B V B +A 221 0A 10 191,-2.8 191,-1.6 1,-0.2 143,-0.1 -0.865 360.0 2.0-104.1 132.6 2.7 -10.7 20.8 31 39 B E S S+ 0 0 124 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.811 102.0 123.1 61.9 36.1 -0.7 -9.9 22.3 32 40 B G - 0 0 25 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.136 55.0-117.7-103.0-159.2 -0.6 -6.3 21.0 33 41 B S E -B 184 0B 77 151,-2.1 151,-2.7 -2,-0.1 2,-0.2 -0.926 35.2 -82.3-140.4 162.4 -2.9 -4.2 18.8 34 42 B D E -B 183 0B 101 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.501 52.2-119.0 -66.4 137.3 -2.7 -2.5 15.4 35 43 B A - 0 0 6 147,-2.8 2,-0.2 -2,-0.2 -1,-0.1 -0.342 24.9-113.1 -69.5 157.6 -1.2 0.9 15.8 36 44 B E > - 0 0 39 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.580 46.3 -82.8 -84.3 158.3 -3.2 4.1 14.9 37 45 B I T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.425 116.7 6.0 -63.1 129.9 -2.0 6.1 11.9 38 46 B G T 3 S+ 0 0 11 -2,-0.1 -30,-0.4 104,-0.1 -1,-0.3 0.554 92.2 125.3 71.9 12.0 0.8 8.5 13.1 39 47 B M S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 -33,-0.1 0.773 83.5 22.3 -68.9 -32.9 0.9 7.0 16.6 40 48 B S S > S+ 0 0 13 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.612 70.4 166.1-135.5 68.7 4.7 6.2 16.5 41 49 B P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.568 75.7 60.4 -71.3 -6.5 6.1 8.6 13.8 42 50 B W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.364 77.7 122.8 -91.7 -2.8 9.7 7.9 15.0 43 51 B Q E < -J 59 0C 2 -3,-2.2 49,-0.8 16,-0.2 50,-0.4 -0.462 43.4-169.3 -67.0 127.6 9.2 4.1 14.1 44 52 B V E -JK 58 91C 0 14,-2.5 14,-1.2 -2,-0.2 2,-0.5 -0.944 15.3-146.2-118.9 141.7 11.9 3.0 11.7 45 53 B M E -JK 57 90C 0 45,-2.4 45,-2.5 -2,-0.4 2,-0.6 -0.935 10.8-147.0-102.9 125.8 11.9 -0.3 9.7 46 54 B L E -JK 56 89C 0 10,-3.2 9,-2.9 -2,-0.5 10,-1.3 -0.836 25.9-163.3 -88.8 119.7 15.5 -1.7 9.1 47 55 B F E -JK 54 88C 0 41,-2.9 41,-2.3 -2,-0.6 2,-0.4 -0.946 16.6-136.7-119.1 125.7 15.1 -3.4 5.7 48 56 B R E > -JK 53 87C 77 5,-3.2 5,-1.3 -2,-0.5 39,-0.2 -0.660 9.2-151.5 -79.4 128.4 17.4 -6.0 4.1 49 57 B K T 5S+ 0 0 44 37,-1.9 3,-0.2 -2,-0.4 -1,-0.1 0.863 78.3 50.8 -65.1 -44.9 18.0 -5.3 0.4 50 58 B S T 5S+ 0 0 93 1,-0.4 -1,-0.2 36,-0.4 2,-0.2 -0.889 118.9 21.5-149.6 115.4 18.6 -9.0 -0.6 51 59 B P T 5S- 0 0 80 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 0.606 105.1-122.0 -67.3 149.5 16.6 -11.1 0.2 52 60 B Q T 5 + 0 0 53 -3,-0.2 229,-0.4 -2,-0.2 2,-0.3 -0.559 61.9 129.3 -67.7 102.1 13.9 -8.3 0.6 53 61 B E E < -J 48 0C 78 -5,-1.3 -5,-3.2 -2,-0.8 2,-0.4 -0.991 65.5 -84.8-154.9 162.7 13.0 -8.7 4.3 54 62 B L E +J 47 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.556 36.9 177.9 -70.1 123.3 12.4 -7.1 7.7 55 63 B L E - 0 0 17 -9,-2.9 2,-0.3 1,-0.4 170,-0.2 0.841 55.7 -50.6 -93.0 -45.5 15.8 -6.9 9.5 56 64 B b E -J 46 0C 3 -10,-1.3 -10,-3.2 170,-0.1 -1,-0.4 -0.964 52.7 -89.8-175.9 173.2 14.7 -5.1 12.7 57 65 B G E +J 45 0C 2 170,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.440 43.3 168.7 -91.8 173.7 12.9 -2.1 14.2 58 66 B A E -J 44 0C 0 -14,-1.2 -14,-2.5 -2,-0.2 2,-0.3 -0.930 23.6-119.0-170.2 178.5 14.7 1.2 14.9 59 67 B S E -JL 43 67C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.987 14.4-123.1-141.7 147.9 13.9 4.8 15.9 60 68 B L E + L 0 66C 0 -18,-2.1 86,-2.2 -2,-0.3 6,-0.2 -0.802 30.7 167.6 -89.5 119.1 14.3 8.3 14.4 61 69 B I - 0 0 23 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.569 68.8 -9.3-107.2 -14.8 16.2 10.6 16.9 62 70 B S S S- 0 0 36 3,-1.2 -1,-0.2 85,-0.1 75,-0.1 -0.895 87.4 -80.7-161.9-177.1 17.0 13.5 14.5 63 71 B D S S+ 0 0 74 -2,-0.3 74,-2.8 1,-0.2 72,-0.1 0.682 130.8 25.9 -70.1 -16.2 16.7 14.3 10.8 64 72 B R S S+ 0 0 62 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.474 108.1 78.6-122.6 -8.6 20.0 12.3 10.2 65 73 B W E - M 0 132C 13 67,-0.2 -4,-2.3 65,-0.0 -3,-1.2 -0.919 48.5-171.5-118.4 135.2 20.3 9.8 13.1 66 74 B V E -LM 60 131C 0 65,-2.4 65,-2.3 -2,-0.4 2,-0.4 -0.979 11.9-150.1-122.2 131.5 18.6 6.4 13.6 67 75 B L E +LM 59 130C 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.854 28.9 146.7-104.0 134.8 18.9 4.4 16.9 68 76 B T E - M 0 129C 0 61,-2.5 61,-2.2 -2,-0.4 2,-0.4 -0.817 49.9 -77.0-148.7-172.3 18.7 0.6 17.0 69 77 B A > - 0 0 0 -12,-0.4 3,-1.7 59,-0.3 4,-0.4 -0.803 33.1-133.0 -95.7 135.7 20.1 -2.5 18.8 70 78 B A G >> S+ 0 0 0 -2,-0.4 4,-2.9 1,-0.3 3,-2.0 0.863 104.1 65.5 -54.7 -35.9 23.6 -3.6 18.0 71 79 B H G 34 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.657 90.1 65.7 -64.4 -17.3 22.5 -7.2 17.6 72 80 B b G <4 S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.759 117.8 24.9 -68.4 -30.5 20.4 -6.2 14.6 73 81 B L T <4 S+ 0 0 0 -3,-2.0 9,-2.4 -4,-0.4 2,-0.4 0.755 131.0 31.8-105.3 -37.0 23.7 -5.4 12.8 74 82 B L E < +P 81 0D 36 -4,-2.9 -1,-0.3 7,-0.2 7,-0.2 -0.952 58.2 140.9-132.5 113.9 26.3 -7.6 14.5 75 83 B Y E > > -P 80 0D 41 5,-2.9 3,-2.0 -2,-0.4 5,-1.9 -0.572 21.1-174.5-150.7 80.7 25.6 -11.0 16.0 76 84 B P G > 5S+ 0 0 45 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.781 79.4 67.4 -50.3 -35.9 28.4 -13.6 15.4 77 85 B P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.785 114.0 32.6 -55.5 -27.2 26.5 -16.6 16.9 78 86 B W G < 5S- 0 0 156 -3,-2.0 3,-0.1 2,-0.1 0, 0.0 0.140 117.3-109.8-112.4 17.0 24.0 -16.3 13.9 79 87 B D T < 5 + 0 0 154 -3,-2.0 2,-0.6 1,-0.2 -5,-0.0 0.788 64.9 155.8 56.5 34.6 26.7 -15.0 11.3 80 88 B K E < +P 75 0D 35 -5,-1.9 -5,-2.9 1,-0.1 -1,-0.2 -0.823 5.7 142.0 -94.8 122.4 25.0 -11.6 11.3 81 89 B N E -P 74 0D 113 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.464 25.8-173.7-157.6 75.7 27.4 -8.8 10.3 82 90 B F - 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