==== 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 4BAM . 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) . 13228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 59.1 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 . 1 0.3 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.8 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 0.000 360.0 360.0 360.0-150.2 13.2 21.3 20.0 2 8 A D > + 0 0 67 144,-0.0 3,-1.4 2,-0.0 145,-0.1 0.209 360.0 142.3-102.2 14.8 10.0 19.6 18.7 3 9 A a T 3 + 0 0 33 1,-0.2 143,-0.2 143,-0.1 3,-0.1 -0.181 65.7 14.7 -55.2 147.4 11.1 16.0 19.5 4 10 A G T 3 S+ 0 0 0 141,-2.9 237,-2.0 1,-0.2 2,-0.6 0.518 92.7 115.7 68.9 10.9 8.5 13.6 20.8 5 11 A L < - 0 0 30 -3,-1.4 -1,-0.2 140,-0.3 235,-0.1 -0.964 60.3-141.0-112.6 114.2 5.4 15.7 19.8 6 12 A R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.5 -0.665 6.1-141.3 -82.8 130.6 3.4 13.9 17.2 7 13 A P T 3 5S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.818 104.0 42.9 -56.8 -32.3 1.9 15.9 14.3 8 14 A L T 3 5S+ 0 0 28 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.448 130.4 19.5 -93.9 -2.6 -1.3 13.8 14.4 9 15 A F T X >S+ 0 0 15 -3,-1.5 5,-2.6 29,-0.1 3,-1.5 0.435 128.9 23.5-127.5 -90.0 -1.6 13.7 18.2 10 16 A E G > 5S+ 0 0 32 1,-0.3 3,-1.0 3,-0.2 -5,-0.1 0.822 120.4 56.7 -53.4 -43.1 0.1 16.2 20.6 11 17 A K G 3 > S+ 0 0 47 2,-0.1 3,-1.1 1,-0.1 4,-0.9 0.409 85.9 99.0-123.9 -0.4 -4.2 3.9 25.0 19 25 A E H 3> S+ 0 0 13 -3,-0.4 4,-2.1 1,-0.2 3,-0.3 0.815 79.7 63.5 -60.6 -27.8 -1.9 6.8 26.1 20 26 A R H 3> S+ 0 0 127 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.842 95.0 61.0 -61.2 -35.7 -4.1 7.3 29.2 21 27 A E H <> S+ 0 0 48 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.883 106.8 45.5 -57.1 -40.5 -3.1 3.8 30.4 22 28 A L H >X S+ 0 0 0 -4,-0.9 3,-0.9 -3,-0.3 4,-0.6 0.970 113.0 49.1 -67.7 -51.1 0.5 5.0 30.5 23 29 A L H >< S+ 0 0 87 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.899 108.7 53.8 -53.6 -45.0 -0.4 8.2 32.3 24 30 A E H 3< S+ 0 0 129 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.765 104.2 56.1 -63.4 -25.2 -2.5 6.3 34.9 25 31 A S H << S+ 0 0 15 -4,-1.1 2,-1.8 -3,-0.9 -1,-0.3 0.595 84.0 86.1 -79.9 -14.9 0.5 4.1 35.7 26 32 A Y << 0 0 27 -3,-1.4 -1,-0.2 -4,-0.6 135,-0.0 -0.570 360.0 360.0 -88.9 71.5 2.7 7.2 36.5 27 33 A I 0 0 178 -2,-1.8 -1,-0.2 0, 0.0 -2,-0.1 0.454 360.0 360.0 -78.9 360.0 1.4 7.1 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 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.8 4.7 -8.1 19.0 30 38 B V B +A 221 0A 10 191,-2.5 191,-1.5 1,-0.2 143,-0.1 -0.808 360.0 1.0-100.8 134.2 2.7 -10.8 20.8 31 39 B E S S+ 0 0 124 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.795 101.7 121.1 60.7 33.8 -0.8 -9.9 22.2 32 40 B G - 0 0 24 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.178 56.3-117.6-102.8-158.5 -0.6 -6.3 21.1 33 41 B S E -B 184 0B 75 151,-2.3 151,-2.8 -2,-0.1 2,-0.2 -0.903 35.2 -79.9-139.4 166.4 -2.9 -4.3 18.8 34 42 B D E -B 183 0B 102 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.493 52.0-115.5 -66.8 139.6 -2.6 -2.5 15.4 35 43 B A - 0 0 6 147,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.353 25.6-116.9 -68.6 154.6 -1.1 0.9 15.7 36 44 B E > - 0 0 42 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.574 46.7 -82.2 -84.1 158.3 -3.1 4.0 14.9 37 45 B I T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.426 116.9 6.6 -62.6 132.0 -1.9 6.1 11.9 38 46 B G T 3 S+ 0 0 12 2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.555 92.2 126.3 71.5 11.4 0.9 8.5 13.0 39 47 B M S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 -23,-0.1 0.796 83.0 21.4 -68.3 -33.3 1.0 6.9 16.5 40 48 B S S > S+ 0 0 11 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.633 70.2 166.8-135.0 69.5 4.7 6.2 16.4 41 49 B P T 3 S+ 0 0 1 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.574 76.0 60.5 -70.6 -7.2 6.2 8.6 13.8 42 50 B W T 3 S+ 0 0 3 101,-0.2 18,-2.3 103,-0.1 2,-0.2 0.384 77.8 123.9 -91.4 -2.9 9.8 7.9 15.0 43 51 B Q E < -J 59 0C 2 -3,-2.1 49,-0.9 16,-0.2 50,-0.4 -0.440 42.9-168.8 -65.3 128.5 9.3 4.2 14.1 44 52 B V E -JK 58 91C 0 14,-2.7 14,-1.3 -2,-0.2 2,-0.5 -0.930 14.5-148.0-120.0 142.6 11.9 3.0 11.6 45 53 B M E -JK 57 90C 0 45,-2.4 45,-2.5 -2,-0.4 2,-0.6 -0.951 10.1-148.2-106.2 125.9 12.1 -0.3 9.6 46 54 B L E -JK 56 89C 0 10,-3.1 9,-2.8 -2,-0.5 10,-1.4 -0.863 24.1-164.7 -92.2 121.8 15.6 -1.7 8.9 47 55 B F E -JK 54 88C 0 41,-3.0 41,-2.5 -2,-0.6 2,-0.3 -0.964 16.8-137.6-121.9 125.3 15.2 -3.4 5.6 48 56 B R E > -JK 53 87C 78 5,-2.8 5,-1.3 -2,-0.5 39,-0.2 -0.672 9.3-150.3 -78.4 129.5 17.6 -6.0 4.0 49 57 B K T 5S+ 0 0 48 37,-2.1 3,-0.2 -2,-0.3 -1,-0.1 0.868 78.7 54.2 -67.5 -42.7 18.1 -5.4 0.2 50 58 B S T 5S+ 0 0 94 36,-0.4 -1,-0.2 1,-0.4 2,-0.2 -0.901 118.4 19.5-147.2 114.6 18.7 -9.1 -0.7 51 59 B P T 5S- 0 0 80 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 0.630 105.1-121.2 -66.1 154.0 16.7 -11.1 0.1 52 60 B Q T 5 + 0 0 53 -3,-0.2 229,-0.3 -2,-0.2 2,-0.3 -0.602 62.7 128.2 -70.5 103.1 14.0 -8.3 0.5 53 61 B E E < -J 48 0C 78 -5,-1.3 -5,-2.8 -2,-0.8 2,-0.4 -0.985 65.5 -82.3-155.4 167.2 13.0 -8.7 4.2 54 62 B L E +J 47 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.596 36.9 175.9 -74.1 123.6 12.5 -7.1 7.6 55 63 B L E - 0 0 18 -9,-2.8 2,-0.3 -2,-0.4 -8,-0.2 0.827 55.9 -51.3 -94.8 -45.1 15.8 -6.9 9.4 56 64 B b E -J 46 0C 2 -10,-1.4 -10,-3.1 170,-0.1 -1,-0.4 -0.973 51.3 -89.6-176.2 172.1 14.8 -5.1 12.6 57 65 B G E +J 45 0C 2 170,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.452 42.8 167.3 -91.7 172.6 13.0 -2.1 14.1 58 66 B A E -J 44 0C 0 -14,-1.3 -14,-2.7 -2,-0.2 2,-0.3 -0.933 24.1-119.6-168.6 179.2 14.8 1.2 14.9 59 67 B S E -JL 43 67C 0 8,-2.3 8,-2.5 -2,-0.3 2,-0.6 -0.986 15.2-121.2-140.4 151.6 13.9 4.8 15.8 60 68 B L E + L 0 66C 0 -18,-2.3 86,-2.2 -2,-0.3 6,-0.2 -0.787 30.5 168.4 -93.1 118.8 14.4 8.3 14.4 61 69 B I - 0 0 22 4,-2.2 2,-0.2 -2,-0.6 5,-0.2 0.599 69.0 -11.7-104.6 -14.3 16.3 10.5 16.8 62 70 B S S S- 0 0 37 3,-1.2 -1,-0.2 85,-0.1 75,-0.1 -0.887 87.9 -78.6-164.1-176.0 17.0 13.5 14.5 63 71 B D S S+ 0 0 76 -2,-0.2 74,-2.7 1,-0.2 72,-0.1 0.666 130.9 26.0 -71.9 -13.1 16.8 14.2 10.7 64 72 B R S S+ 0 0 65 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.464 107.9 77.4-126.6 -5.1 20.1 12.3 10.2 65 73 B W E - M 0 132C 14 67,-0.2 -4,-2.2 65,-0.0 -3,-1.2 -0.936 48.4-172.1-121.1 136.2 20.4 9.8 13.0 66 74 B V E -LM 60 131C 0 65,-2.3 65,-2.2 -2,-0.4 2,-0.4 -0.981 12.7-149.1-123.5 132.6 18.7 6.4 13.6 67 75 B L E +LM 59 130C 0 -8,-2.5 -8,-2.3 -2,-0.4 2,-0.2 -0.850 28.6 148.9-105.5 136.8 19.0 4.4 16.9 68 76 B T E - M 0 129C 0 61,-2.7 61,-2.1 -2,-0.4 2,-0.4 -0.830 48.7 -77.0-149.4-174.9 18.8 0.6 16.9 69 77 B A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.3 4,-0.4 -0.785 33.2-132.6 -91.8 138.2 20.1 -2.6 18.8 70 78 B A G >> S+ 0 0 0 -2,-0.4 4,-2.9 1,-0.3 3,-2.1 0.873 105.3 64.8 -58.2 -34.9 23.7 -3.6 18.0 71 79 B H G 34 S+ 0 0 12 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.659 90.2 66.6 -65.8 -16.5 22.5 -7.3 17.6 72 80 B b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.772 118.3 23.0 -68.3 -29.0 20.4 -6.1 14.6 73 81 B L T <4 S+ 0 0 0 -3,-2.1 9,-2.3 -4,-0.4 2,-0.4 0.742 130.9 34.9-108.0 -35.6 23.8 -5.4 12.8 74 82 B L E < +P 81 0D 38 -4,-2.9 -1,-0.3 7,-0.2 7,-0.2 -0.953 57.4 139.8-131.2 113.0 26.3 -7.6 14.6 75 83 B Y E > > -P 80 0D 39 5,-2.9 3,-2.0 -2,-0.4 5,-1.8 -0.522 20.9-175.7-150.8 78.9 25.5 -11.1 15.9 76 84 B P G > 5S+ 0 0 44 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.759 79.4 67.1 -46.1 -39.7 28.3 -13.6 15.4 77 85 B P G 3 5S+ 0 0 67 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.801 113.8 32.6 -52.8 -29.7 26.4 -16.7 16.8 78 86 B W G < 5S- 0 0 171 -3,-2.0 3,-0.1 2,-0.1 0, 0.0 0.154 116.7-111.0-110.9 16.7 24.0 -16.3 13.8 79 87 B D T < 5 + 0 0 151 -3,-2.0 2,-0.6 1,-0.2 -5,-0.0 0.812 64.7 155.3 54.0 36.1 26.7 -15.1 11.3 80 88 B K E < +P 75 0D 42 -5,-1.8 -5,-2.9 -9,-0.0 -1,-0.2 -0.844 4.8 143.3 -95.2 120.7 25.0 -11.6 11.2 81 89 B N E -P 74 0D 114 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.497 26.1-172.8-155.2 75.0 27.5 -8.8 10.3 82 90 B F - 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