==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-12 4BAO . 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) . 13100.0 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 . 78 27.3 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 8.4 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 2 1 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 . 5 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 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.5 13.5 21.1 19.3 2 8 A D > + 0 0 62 144,-0.0 3,-1.3 3,-0.0 145,-0.1 0.134 360.0 147.3-104.2 20.9 10.1 19.5 18.4 3 9 A a T 3 + 0 0 33 1,-0.2 143,-0.2 143,-0.1 3,-0.1 -0.189 63.7 15.8 -55.8 147.1 11.1 15.9 19.4 4 10 A G T 3 S+ 0 0 0 141,-2.8 237,-1.7 236,-0.2 2,-0.6 0.480 93.4 113.2 69.0 10.0 8.5 13.6 20.8 5 11 A L < - 0 0 30 -3,-1.3 -1,-0.2 140,-0.3 235,-0.1 -0.968 61.0-142.2-113.8 115.1 5.5 15.7 19.7 6 12 A R > > - 0 0 0 -2,-0.6 5,-2.2 1,-0.1 3,-1.8 -0.693 7.2-141.0 -85.1 126.8 3.5 13.8 17.1 7 13 A P T 3 5S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.822 104.4 43.7 -51.9 -34.6 2.0 15.8 14.2 8 14 A L T 3 5S+ 0 0 28 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.418 130.4 18.0 -91.5 -2.3 -1.2 13.7 14.4 9 15 A F T X>>S+ 0 0 15 -3,-1.8 5,-2.7 29,-0.1 3,-1.3 0.416 129.4 24.6-129.8 -87.0 -1.6 13.6 18.1 10 16 A E G >45S+ 0 0 31 1,-0.3 3,-0.9 3,-0.2 -5,-0.1 0.848 121.7 54.7 -56.2 -40.9 0.2 16.2 20.5 11 17 A K G 34> S+ 0 0 47 2,-0.1 3,-1.1 1,-0.1 4,-0.8 0.449 86.3 99.1-124.7 -1.1 -4.0 3.9 25.0 19 25 A E H 3> S+ 0 0 12 -3,-0.4 4,-1.9 1,-0.2 3,-0.3 0.781 80.1 63.8 -57.9 -28.3 -1.7 6.8 26.1 20 26 A R H 3> S+ 0 0 130 -4,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.837 94.8 60.5 -62.4 -35.2 -3.9 7.4 29.2 21 27 A E H <> S+ 0 0 45 -3,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.857 106.4 47.0 -58.2 -39.7 -3.0 3.8 30.5 22 28 A L H >< S+ 0 0 0 -4,-0.8 3,-0.6 -3,-0.3 4,-0.5 0.948 113.6 46.7 -68.8 -49.0 0.7 5.1 30.5 23 29 A L H >< S+ 0 0 90 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.915 110.3 53.0 -58.2 -46.4 -0.2 8.3 32.3 24 30 A E H 3< S+ 0 0 130 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.746 104.4 57.4 -62.3 -24.3 -2.3 6.4 34.9 25 31 A S T << S+ 0 0 15 -4,-0.9 2,-1.6 -3,-0.6 -1,-0.3 0.598 83.8 86.5 -80.8 -13.2 0.7 4.1 35.6 26 32 A Y < 0 0 29 -3,-1.6 -1,-0.2 -4,-0.5 136,-0.1 -0.442 360.0 360.0 -89.3 63.5 2.9 7.2 36.5 27 33 A I 0 0 179 -2,-1.6 -1,-0.2 -3,-0.1 -2,-0.1 0.716 360.0 360.0 -78.4 360.0 1.7 7.2 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 0.000 360.0 360.0 360.0 129.5 4.8 -8.1 19.1 30 38 B V B +A 221 0A 9 191,-2.9 191,-1.8 1,-0.2 143,-0.1 -0.869 360.0 3.2-105.8 133.4 2.7 -10.8 20.8 31 39 B E S S+ 0 0 122 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.858 101.7 119.5 62.5 41.1 -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 -0.197 56.2-114.6-110.6-155.9 -0.7 -6.3 21.1 33 41 B S E -B 184 0B 75 151,-1.9 151,-2.6 -2,-0.1 2,-0.1 -0.950 35.7 -82.0-144.0 161.4 -2.9 -4.2 18.8 34 42 B D E -B 183 0B 103 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.429 52.7-117.2 -62.6 135.6 -2.7 -2.5 15.4 35 43 B A - 0 0 6 147,-3.0 2,-0.2 59,-0.1 -1,-0.1 -0.387 25.5-114.6 -70.2 156.1 -1.0 0.9 15.8 36 44 B E > - 0 0 44 1,-0.1 3,-1.6 -2,-0.1 4,-0.3 -0.530 47.4 -81.2 -82.9 160.4 -3.1 4.0 14.9 37 45 B I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.465 116.5 4.5 -64.3 131.4 -1.9 6.1 11.9 38 46 B G T 3 S+ 0 0 12 -2,-0.2 -30,-0.3 104,-0.1 -1,-0.3 0.542 92.3 126.8 68.3 14.2 1.0 8.4 13.0 39 47 B M S < S+ 0 0 5 -3,-1.6 -2,-0.1 1,-0.3 -23,-0.1 0.770 83.2 22.5 -68.5 -31.7 1.0 6.9 16.5 40 48 B S S > S+ 0 0 12 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.613 70.7 166.5-135.9 67.5 4.8 6.1 16.4 41 49 B P T 3 S+ 0 0 2 0, 0.0 103,-1.9 0, 0.0 51,-0.2 0.542 76.1 60.2 -70.2 -5.4 6.3 8.5 13.8 42 50 B W T 3 S+ 0 0 3 101,-0.2 18,-2.5 103,-0.1 2,-0.1 0.374 77.7 123.4 -93.8 -3.8 9.8 7.8 14.9 43 51 B Q E < -J 59 0C 3 -3,-2.2 49,-0.9 16,-0.2 2,-0.4 -0.434 43.6-167.5 -64.6 129.4 9.3 4.0 14.1 44 52 B V E -JK 58 91C 0 14,-2.6 14,-1.2 47,-0.1 2,-0.5 -0.965 14.1-147.2-121.5 137.5 12.0 2.8 11.7 45 53 B M E -JK 57 90C 0 45,-2.5 45,-2.8 -2,-0.4 2,-0.6 -0.919 10.8-147.2-100.0 128.5 12.0 -0.4 9.7 46 54 B L E -JK 56 89C 0 10,-3.1 9,-2.9 -2,-0.5 10,-1.3 -0.873 24.5-164.7 -94.1 117.4 15.5 -1.9 9.0 47 55 B F E -JK 54 88C 0 41,-3.0 41,-2.3 -2,-0.6 2,-0.3 -0.951 17.8-137.4-117.3 123.8 15.1 -3.6 5.7 48 56 B R E > -JK 53 87C 80 5,-2.7 5,-1.3 -2,-0.5 39,-0.2 -0.638 11.3-149.9 -75.9 127.4 17.5 -6.2 4.1 49 57 B K T 5S+ 0 0 40 37,-2.0 3,-0.2 -2,-0.3 -1,-0.1 0.922 78.4 51.8 -62.9 -50.2 18.0 -5.4 0.3 50 58 B S T 5S+ 0 0 96 36,-0.4 -1,-0.2 1,-0.3 2,-0.1 -0.944 118.3 21.2-143.0 116.7 18.6 -9.1 -0.8 51 59 B P T 5S- 0 0 78 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.593 104.6-120.9 -70.0 149.5 16.6 -11.2 0.0 52 60 B Q T 5 + 0 0 53 -3,-0.2 229,-0.4 -2,-0.1 2,-0.3 -0.517 61.8 129.4 -65.2 104.5 13.9 -8.4 0.6 53 61 B E E < -J 48 0C 77 -5,-1.3 -5,-2.7 -2,-0.6 2,-0.3 -0.991 64.6 -86.9-156.7 162.7 12.9 -8.9 4.2 54 62 B L E +J 47 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.552 37.1 175.6 -73.0 125.7 12.4 -7.3 7.7 55 63 B L E - 0 0 18 -9,-2.9 2,-0.3 1,-0.4 170,-0.2 0.835 55.6 -46.3 -96.8 -49.3 15.7 -7.1 9.5 56 64 B b E -J 46 0C 2 -10,-1.3 -10,-3.1 170,-0.1 -1,-0.4 -0.970 52.7 -92.7-170.2 173.3 14.7 -5.2 12.7 57 65 B G E +J 45 0C 2 170,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.448 42.6 166.8 -94.1 174.5 13.0 -2.2 14.2 58 66 B A E -J 44 0C 0 -14,-1.2 -14,-2.6 -2,-0.2 2,-0.3 -0.933 24.1-117.7-170.0-178.0 14.7 1.0 14.9 59 67 B S E -JL 43 67C 0 8,-2.3 8,-2.9 -2,-0.3 2,-0.6 -0.994 14.6-122.3-145.6 145.9 14.0 4.6 15.8 60 68 B L E + L 0 66C 0 -18,-2.5 86,-2.2 -2,-0.3 6,-0.2 -0.757 30.0 168.4 -87.7 116.8 14.4 8.1 14.3 61 69 B I - 0 0 22 4,-2.4 2,-0.2 -2,-0.6 5,-0.2 0.590 69.2 -11.5-104.8 -15.5 16.4 10.4 16.8 62 70 B S S S- 0 0 35 3,-1.2 -1,-0.2 85,-0.1 75,-0.1 -0.891 87.5 -78.4-162.1-174.6 17.1 13.4 14.4 63 71 B D S S+ 0 0 75 -2,-0.2 74,-2.9 1,-0.2 72,-0.1 0.706 131.2 25.0 -70.2 -18.0 16.8 14.1 10.6 64 72 B R S S+ 0 0 67 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.410 108.7 79.5-123.7 -4.6 20.1 12.1 10.0 65 73 B W E - M 0 132C 14 67,-0.2 -4,-2.4 -3,-0.0 -3,-1.2 -0.956 48.6-172.1-121.3 131.8 20.4 9.6 12.9 66 74 B V E -LM 60 131C 0 65,-2.4 65,-2.3 -2,-0.4 2,-0.4 -0.956 12.6-148.8-118.8 133.1 18.7 6.3 13.5 67 75 B L E +LM 59 130C 0 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.2 -0.873 28.8 148.1-107.3 133.7 18.9 4.2 16.8 68 76 B T E - M 0 129C 0 61,-2.7 61,-2.3 -2,-0.4 2,-0.4 -0.831 49.2 -77.5-148.4-177.0 18.8 0.4 16.9 69 77 B A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.3 4,-0.5 -0.761 34.0-132.4 -89.5 137.2 20.1 -2.7 18.8 70 78 B A G >> S+ 0 0 0 -2,-0.4 4,-3.0 1,-0.3 3,-1.7 0.865 104.9 64.5 -56.4 -34.1 23.7 -3.7 18.0 71 79 B H G 34 S+ 0 0 12 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.650 89.4 67.6 -68.6 -15.1 22.5 -7.4 17.5 72 80 B b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.772 117.4 23.7 -69.2 -29.9 20.4 -6.3 14.5 73 81 B L T <4 S+ 0 0 0 -3,-1.7 9,-2.1 -4,-0.5 2,-0.5 0.789 131.3 33.5-106.1 -37.7 23.7 -5.5 12.7 74 82 B L E < +P 81 0D 37 -4,-3.0 -1,-0.3 7,-0.2 7,-0.2 -0.951 57.7 141.0-130.0 112.0 26.3 -7.7 14.5 75 83 B Y E > > -P 80 0D 42 5,-2.9 3,-2.0 -2,-0.5 5,-1.9 -0.556 20.9-175.2-146.9 81.3 25.5 -11.1 15.9 76 84 B P G > 5S+ 0 0 45 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.784 79.9 66.6 -49.2 -37.4 28.3 -13.7 15.3 77 85 B P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.785 114.1 32.1 -53.9 -30.5 26.4 -16.7 16.8 78 86 B W G < 5S- 0 0 157 -3,-2.0 0, 0.0 2,-0.1 0, 0.0 0.144 117.6-109.1-110.4 15.4 23.9 -16.5 13.8 79 87 B D T < 5 + 0 0 153 -3,-2.0 2,-0.6 1,-0.2 -5,-0.0 0.785 65.2 155.2 58.6 35.6 26.5 -15.2 11.3 80 88 B K E < +P 75 0D 41 -5,-1.9 -5,-2.9 1,-0.1 -1,-0.2 -0.828 5.7 142.3 -95.3 120.4 25.0 -11.8 11.2 81 89 B N E -P 74 0D 112 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.390 26.4-173.6-155.5 69.0 27.5 -9.0 10.2 82 90 B F - 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