==== 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 4BAN . 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) . 13213.0 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 . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.1 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 0.000 360.0 360.0 360.0-157.3 13.1 21.3 19.7 2 8 A D > + 0 0 64 144,-0.0 3,-1.4 3,-0.0 145,-0.1 0.126 360.0 147.5-103.8 19.5 9.8 19.6 18.8 3 9 A a T 3 + 0 0 34 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.174 65.5 13.8 -55.9 145.9 11.0 16.0 19.6 4 10 A G T 3 S+ 0 0 0 141,-2.8 237,-2.2 1,-0.2 2,-0.6 0.552 93.4 115.2 67.4 13.3 8.4 13.6 20.9 5 11 A L < - 0 0 28 -3,-1.4 -1,-0.2 140,-0.3 235,-0.1 -0.975 61.1-139.6-113.6 114.6 5.3 15.7 19.9 6 12 A R > > - 0 0 0 -2,-0.6 5,-2.3 1,-0.1 3,-1.6 -0.636 5.8-141.0 -81.7 131.3 3.3 13.9 17.3 7 13 A P T 3 5S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.829 104.6 42.2 -56.2 -33.8 1.8 15.9 14.4 8 14 A L T 3 5S+ 0 0 29 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.433 130.6 19.7 -94.0 -1.5 -1.4 13.8 14.4 9 15 A F T X>>S+ 0 0 16 -3,-1.6 5,-2.5 29,-0.1 3,-1.5 0.402 128.8 24.1-128.2 -90.2 -1.7 13.7 18.2 10 16 A E G >45S+ 0 0 32 1,-0.3 3,-1.2 3,-0.2 -5,-0.1 0.842 120.8 56.3 -52.3 -43.3 0.0 16.2 20.6 11 17 A K G 34> S+ 0 0 48 2,-0.1 3,-1.1 1,-0.1 4,-0.9 0.401 86.0 100.0-125.0 -0.0 -4.3 3.8 25.0 19 25 A E H 3> S+ 0 0 12 -3,-0.4 4,-2.1 1,-0.2 3,-0.3 0.825 79.9 64.0 -59.4 -28.2 -2.0 6.7 26.2 20 26 A R H 3> S+ 0 0 135 -4,-0.4 4,-3.2 1,-0.2 -1,-0.2 0.856 94.6 61.0 -60.0 -36.3 -4.3 7.3 29.2 21 27 A E H <> S+ 0 0 47 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.890 106.7 45.5 -57.3 -40.3 -3.2 3.7 30.4 22 28 A L H >X S+ 0 0 0 -4,-0.9 4,-0.7 -3,-0.3 3,-0.7 0.961 112.9 49.2 -68.2 -49.8 0.4 5.0 30.5 23 29 A L H >< S+ 0 0 92 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.911 108.7 53.3 -55.0 -45.7 -0.6 8.2 32.3 24 30 A E H 3< S+ 0 0 131 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.776 104.4 56.5 -61.9 -27.3 -2.7 6.2 34.9 25 31 A S H << S+ 0 0 17 -4,-1.1 2,-1.8 -3,-0.7 -1,-0.3 0.633 84.5 85.4 -78.2 -15.6 0.4 4.0 35.7 26 32 A Y << 0 0 26 -3,-1.4 -1,-0.2 -4,-0.7 135,-0.0 -0.580 360.0 360.0 -88.3 73.3 2.5 7.1 36.6 27 33 A I 0 0 182 -2,-1.8 -1,-0.2 0, 0.0 -2,-0.1 0.464 360.0 360.0 -79.4 360.0 1.2 7.1 40.2 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 0.000 360.0 360.0 360.0 124.2 4.7 -8.1 19.1 30 38 B V B +A 221 0A 9 191,-2.8 191,-1.6 1,-0.2 143,-0.1 -0.839 360.0 0.6-100.0 132.1 2.7 -10.8 20.8 31 39 B E S S+ 0 0 125 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.810 102.0 121.2 61.5 35.7 -0.8 -9.9 22.3 32 40 B G - 0 0 25 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.179 55.9-115.9-104.3-158.5 -0.7 -6.3 21.1 33 41 B S E -B 184 0B 76 151,-2.4 151,-2.8 -2,-0.1 2,-0.2 -0.906 35.0 -81.0-139.8 163.5 -3.0 -4.3 18.8 34 42 B D E -B 183 0B 100 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.517 52.2-118.6 -65.3 135.2 -2.8 -2.5 15.4 35 43 B A - 0 0 6 147,-2.9 2,-0.2 -2,-0.2 -1,-0.1 -0.331 25.1-115.2 -66.5 155.9 -1.2 0.9 15.8 36 44 B E > - 0 0 41 1,-0.1 3,-1.8 -2,-0.0 4,-0.3 -0.569 46.6 -81.7 -85.3 160.4 -3.2 4.0 14.9 37 45 B I T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.428 117.0 6.8 -64.3 132.1 -2.0 6.1 11.9 38 46 B G T 3 S+ 0 0 12 -2,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.541 91.9 125.9 71.5 12.9 0.8 8.5 13.1 39 47 B M S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 -23,-0.1 0.804 83.2 21.7 -70.5 -32.7 0.9 6.9 16.6 40 48 B S > + 0 0 13 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.649 70.0 166.9-135.8 70.4 4.7 6.1 16.5 41 49 B P T 3 S+ 0 0 1 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.595 76.1 60.5 -70.0 -8.6 6.1 8.5 13.9 42 50 B W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 2,-0.1 0.387 77.7 122.8 -90.2 -3.2 9.7 7.8 15.1 43 51 B Q E < -J 59 0C 2 -3,-2.1 49,-0.9 16,-0.2 2,-0.4 -0.432 42.9-169.9 -66.2 129.7 9.2 4.1 14.2 44 52 B V E -JK 58 91C 0 14,-2.6 14,-1.2 47,-0.2 2,-0.5 -0.958 15.3-146.1-121.7 141.9 11.8 2.9 11.7 45 53 B M E -JK 57 90C 0 45,-2.5 45,-2.5 -2,-0.4 2,-0.6 -0.940 10.2-146.9-104.6 126.9 12.0 -0.4 9.8 46 54 B L E -JK 56 89C 0 10,-3.2 9,-3.0 -2,-0.5 10,-1.4 -0.841 25.9-164.6 -89.6 118.5 15.5 -1.8 9.1 47 55 B F E -JK 54 88C 0 41,-2.9 41,-2.5 -2,-0.6 2,-0.4 -0.963 17.5-137.6-119.9 125.4 15.1 -3.5 5.8 48 56 B R E > -JK 53 87C 78 5,-3.0 5,-1.5 -2,-0.5 39,-0.2 -0.681 10.1-150.4 -78.7 125.6 17.4 -6.1 4.2 49 57 B K T 5S+ 0 0 46 37,-1.9 3,-0.2 -2,-0.4 -1,-0.1 0.852 78.0 51.5 -63.4 -44.2 17.9 -5.4 0.4 50 58 B S T 5S+ 0 0 94 1,-0.4 -1,-0.2 36,-0.4 2,-0.2 -0.890 118.5 21.0-150.3 116.8 18.5 -9.0 -0.6 51 59 B P T 5S- 0 0 79 0, 0.0 2,-0.7 0, 0.0 -1,-0.4 0.630 106.0-121.6 -66.7 149.8 16.6 -11.2 0.2 52 60 B Q T 5 + 0 0 52 -3,-0.2 229,-0.3 -2,-0.2 2,-0.3 -0.563 61.1 132.3 -67.3 103.8 13.9 -8.4 0.7 53 61 B E E < -J 48 0C 75 -5,-1.5 -5,-3.0 -2,-0.7 2,-0.4 -0.989 64.1 -86.7-153.7 163.5 13.0 -8.8 4.3 54 62 B L E +J 47 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.593 36.8 177.8 -72.2 123.6 12.4 -7.2 7.7 55 63 B L E - 0 0 18 -9,-3.0 2,-0.3 1,-0.4 -8,-0.2 0.835 55.3 -52.9 -93.3 -45.0 15.8 -7.0 9.5 56 64 B b E -J 46 0C 3 -10,-1.4 -10,-3.2 170,-0.1 -1,-0.4 -0.965 52.4 -87.7-177.1 174.3 14.7 -5.1 12.8 57 65 B G E +J 45 0C 2 170,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.442 43.3 167.9 -92.9 173.0 12.9 -2.2 14.3 58 66 B A E -J 44 0C 0 -14,-1.2 -14,-2.6 -2,-0.2 2,-0.3 -0.933 23.7-119.8-170.8 176.8 14.7 1.1 15.0 59 67 B S E -JL 43 67C 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.6 -0.988 14.9-121.7-140.5 149.9 13.8 4.7 15.9 60 68 B L E + L 0 66C 0 -18,-2.2 86,-2.2 -2,-0.3 6,-0.2 -0.782 30.4 168.0 -90.5 118.5 14.3 8.2 14.5 61 69 B I - 0 0 23 4,-2.2 2,-0.2 -2,-0.6 5,-0.2 0.595 68.9 -10.7-105.9 -15.1 16.2 10.5 16.9 62 70 B S S S- 0 0 36 3,-1.1 -1,-0.2 85,-0.1 75,-0.1 -0.894 88.0 -78.7-162.0-176.3 16.9 13.5 14.5 63 71 B D S S+ 0 0 75 -2,-0.2 74,-2.9 1,-0.2 72,-0.1 0.662 131.0 25.3 -70.9 -12.1 16.7 14.2 10.8 64 72 B R S S+ 0 0 64 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.434 107.8 77.8-129.0 -4.6 19.9 12.2 10.2 65 73 B W E - M 0 132C 14 67,-0.2 -4,-2.2 65,-0.0 -3,-1.1 -0.944 48.3-172.0-120.9 136.6 20.3 9.7 13.1 66 74 B V E -LM 60 131C 0 65,-2.4 65,-2.3 -2,-0.4 2,-0.4 -0.973 12.5-149.1-122.8 134.3 18.6 6.4 13.7 67 75 B L E +LM 59 130C 0 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.2 -0.859 28.6 148.2-106.6 137.4 18.9 4.3 16.9 68 76 B T E - M 0 129C 0 61,-2.5 61,-2.4 -2,-0.4 2,-0.4 -0.843 49.0 -76.5-149.5-174.9 18.7 0.5 17.0 69 77 B A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.3 4,-0.4 -0.775 33.1-132.6 -91.9 138.4 20.0 -2.6 18.9 70 78 B A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-2.0 0.871 104.9 64.9 -57.3 -35.6 23.6 -3.6 18.2 71 79 B H G 34 S+ 0 0 9 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.658 90.5 66.0 -65.8 -15.3 22.4 -7.3 17.7 72 80 B b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.741 117.8 24.4 -70.1 -27.7 20.4 -6.2 14.7 73 81 B L T <4 S+ 0 0 0 -3,-2.0 9,-2.4 -4,-0.4 2,-0.4 0.733 130.4 32.6-108.1 -35.6 23.7 -5.4 12.9 74 82 B L E < +P 81 0D 37 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.960 57.9 140.6-133.9 114.5 26.3 -7.6 14.6 75 83 B Y E > > -P 80 0D 42 5,-3.1 3,-2.0 -2,-0.4 5,-1.9 -0.539 21.2-174.7-152.6 80.3 25.6 -11.0 16.0 76 84 B P G > 5S+ 0 0 46 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.781 79.9 67.2 -48.0 -38.5 28.3 -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 0.795 114.0 32.8 -54.5 -27.3 26.4 -16.7 16.9 78 86 B W G < 5S- 0 0 146 -3,-2.0 3,-0.1 2,-0.1 0, 0.0 0.120 117.1-110.9-112.0 17.5 24.0 -16.3 13.9 79 87 B D T < 5 + 0 0 153 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.812 64.8 155.3 54.3 35.7 26.7 -15.1 11.4 80 88 B K E < +P 75 0D 40 -5,-1.9 -5,-3.1 -9,-0.0 -1,-0.2 -0.846 5.3 142.5 -95.2 121.8 25.0 -11.6 11.3 81 89 B N E -P 74 0D 115 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.490 26.6-172.4-156.6 75.8 27.4 -8.8 10.4 82 90 B F - 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