==== 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 4BAQ . 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) . 12959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 60.1 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 . 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 . 20 7.0 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 1 0 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 . 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 0 120 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.4 13.8 20.7 19.2 2 8 A D > + 0 0 68 144,-0.0 3,-1.2 3,-0.0 145,-0.1 0.084 360.0 151.5 -98.2 20.5 10.2 19.5 18.4 3 9 A a T 3 + 0 0 28 1,-0.2 143,-0.2 143,-0.1 3,-0.1 -0.139 58.8 13.6 -53.7 148.6 11.2 15.9 19.4 4 10 A G T 3 S+ 0 0 0 141,-2.8 237,-1.8 236,-0.2 2,-0.6 0.511 92.5 114.7 64.5 12.9 8.6 13.5 20.8 5 11 A L < - 0 0 32 -3,-1.2 -1,-0.2 140,-0.3 235,-0.1 -0.972 60.2-141.9-113.3 116.5 5.5 15.6 19.8 6 12 A R > > - 0 0 0 -2,-0.6 5,-2.3 1,-0.1 3,-1.7 -0.699 6.9-140.7 -84.5 130.1 3.5 13.8 17.1 7 13 A P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.811 104.4 43.4 -55.1 -33.5 1.9 15.8 14.3 8 14 A L T 3 5S+ 0 0 28 133,-0.4 31,-0.1 30,-0.3 133,-0.0 0.407 130.2 19.2 -93.6 -2.8 -1.3 13.7 14.4 9 15 A F T X >S+ 0 0 15 -3,-1.7 5,-2.8 29,-0.1 3,-1.3 0.408 129.5 24.1-126.8 -88.5 -1.6 13.6 18.2 10 16 A E G > 5S+ 0 0 31 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.840 121.5 55.1 -53.8 -42.7 0.2 16.2 20.5 11 17 A K G 3 > S+ 0 0 47 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.488 86.9 99.3-122.4 -2.7 -4.0 3.8 25.1 19 25 A E H 3> S+ 0 0 11 -3,-0.4 4,-1.9 1,-0.2 3,-0.4 0.799 79.8 63.1 -55.9 -30.9 -1.7 6.7 26.1 20 26 A R H 3> S+ 0 0 126 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.863 95.1 61.4 -61.6 -33.1 -3.9 7.4 29.2 21 27 A E H <> S+ 0 0 47 -3,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.864 106.0 46.9 -57.0 -41.8 -2.9 3.8 30.4 22 28 A L H >X S+ 0 0 0 -4,-0.8 4,-0.6 -3,-0.4 3,-0.5 0.944 113.1 47.4 -67.1 -50.3 0.7 5.0 30.5 23 29 A L H >< S+ 0 0 85 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.901 109.5 53.2 -57.2 -44.8 -0.1 8.3 32.3 24 30 A E H 3< S+ 0 0 127 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.757 104.0 57.4 -63.0 -27.2 -2.3 6.5 34.9 25 31 A S H << S+ 0 0 17 -4,-1.0 2,-1.9 -3,-0.5 -1,-0.3 0.641 84.2 85.7 -77.1 -16.6 0.7 4.1 35.6 26 32 A Y << 0 0 27 -3,-1.3 -1,-0.2 -4,-0.6 136,-0.1 -0.401 360.0 360.0 -85.9 62.4 2.9 7.2 36.5 27 33 A I 0 0 177 -2,-1.9 -1,-0.2 -3,-0.1 -2,-0.1 0.529 360.0 360.0 -73.0 360.0 1.6 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 0.000 360.0 360.0 360.0 126.3 4.8 -8.2 19.0 30 38 B V B +A 221 0A 9 191,-2.5 191,-1.5 1,-0.2 143,-0.1 -0.874 360.0 3.0-106.1 130.7 2.7 -10.8 20.8 31 39 B E S S+ 0 0 123 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.827 100.8 122.1 64.7 35.7 -0.7 -9.9 22.3 32 40 B G - 0 0 24 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.084 55.6-118.7-101.8-154.8 -0.5 -6.3 21.0 33 41 B S E -B 184 0B 76 151,-1.6 151,-2.6 -2,-0.1 2,-0.1 -0.936 36.5 -80.2-145.8 161.7 -2.9 -4.3 18.8 34 42 B D E -B 183 0B 101 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.462 52.9-118.1 -62.9 138.1 -2.7 -2.5 15.4 35 43 B A - 0 0 6 147,-3.1 2,-0.2 59,-0.1 -1,-0.1 -0.371 26.0-113.7 -72.5 158.0 -1.0 0.9 15.8 36 44 B E > - 0 0 45 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.554 47.3 -80.5 -84.0 159.7 -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 -0.430 116.3 3.5 -62.5 131.0 -1.9 6.1 11.9 38 46 B G T 3 S+ 0 0 12 -2,-0.2 -30,-0.3 2,-0.1 -1,-0.3 0.520 92.7 126.5 68.0 12.3 1.0 8.4 13.0 39 47 B M S < S+ 0 0 4 -3,-1.7 -2,-0.1 1,-0.3 -23,-0.1 0.766 83.0 23.0 -66.8 -33.6 1.0 6.9 16.5 40 48 B S S > S+ 0 0 12 -4,-0.3 3,-2.0 102,-0.1 -1,-0.3 -0.621 71.7 166.0-134.1 69.6 4.8 6.1 16.5 41 49 B P T 3 S+ 0 0 1 0, 0.0 103,-1.7 0, 0.0 51,-0.1 0.558 75.0 60.6 -72.9 -5.1 6.3 8.5 13.8 42 50 B W T 3 S+ 0 0 3 101,-0.2 18,-2.4 103,-0.1 104,-0.1 0.399 77.7 123.1 -91.5 -5.4 9.8 7.8 15.0 43 51 B Q E < -J 59 0C 2 -3,-2.0 49,-0.9 16,-0.2 50,-0.4 -0.422 43.3-168.7 -63.9 128.4 9.3 4.0 14.1 44 52 B V E -JK 58 91C 0 14,-2.3 14,-1.1 47,-0.2 2,-0.5 -0.959 15.2-145.3-122.1 138.5 12.0 2.8 11.6 45 53 B M E -JK 57 90C 0 45,-2.5 45,-2.6 -2,-0.4 2,-0.6 -0.934 10.8-146.8-102.0 126.5 12.0 -0.4 9.6 46 54 B L E -JK 56 89C 0 10,-3.1 9,-2.8 -2,-0.5 10,-1.2 -0.840 25.6-163.7 -90.5 117.4 15.6 -1.9 9.1 47 55 B F E -JK 54 88C 0 41,-3.2 41,-2.5 -2,-0.6 2,-0.4 -0.947 17.6-137.0-117.4 123.9 15.2 -3.6 5.7 48 56 B R E > -JK 53 87C 81 5,-2.8 5,-1.3 -2,-0.5 39,-0.2 -0.639 10.7-150.1 -76.7 125.7 17.5 -6.2 4.1 49 57 B K T 5S+ 0 0 41 37,-1.9 3,-0.2 -2,-0.4 -1,-0.1 0.868 78.9 52.1 -61.5 -43.7 18.1 -5.4 0.4 50 58 B S T 5S+ 0 0 91 36,-0.4 -1,-0.2 1,-0.4 2,-0.2 -0.893 117.7 21.2-150.9 116.5 18.6 -9.1 -0.7 51 59 B P T 5S- 0 0 79 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 0.578 105.3-122.0 -65.6 144.9 16.5 -11.2 0.1 52 60 B Q T 5 + 0 0 55 -3,-0.2 229,-0.4 -2,-0.2 2,-0.3 -0.531 62.9 128.5 -65.0 100.0 14.0 -8.3 0.5 53 61 B E E < -J 48 0C 76 -5,-1.3 -5,-2.8 -2,-0.8 2,-0.3 -0.980 64.8 -83.2-152.4 167.0 12.9 -8.8 4.1 54 62 B L E +J 47 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.566 37.4 173.6 -75.4 126.6 12.4 -7.3 7.6 55 63 B L E - 0 0 20 -9,-2.8 2,-0.3 1,-0.4 170,-0.2 0.841 55.6 -47.0 -96.2 -55.2 15.7 -7.2 9.6 56 64 B b E -J 46 0C 2 -10,-1.2 -10,-3.1 170,-0.1 -1,-0.4 -0.964 52.3 -90.6-165.7 175.4 14.7 -5.2 12.7 57 65 B G E +J 45 0C 2 170,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.420 41.8 167.0 -93.2 173.7 13.0 -2.2 14.2 58 66 B A E -J 44 0C 0 -14,-1.1 -14,-2.3 -2,-0.1 2,-0.3 -0.926 23.9-119.7-170.8-179.9 14.8 1.1 14.9 59 67 B S E -JL 43 67C 0 8,-2.1 8,-2.5 -2,-0.3 2,-0.6 -0.995 15.2-121.9-143.9 146.0 13.9 4.7 15.8 60 68 B L E + L 0 66C 0 -18,-2.4 86,-2.4 -2,-0.3 6,-0.2 -0.771 30.7 167.9 -88.7 117.5 14.4 8.2 14.3 61 69 B I - 0 0 22 4,-2.3 2,-0.2 -2,-0.6 5,-0.2 0.569 69.4 -9.4-104.4 -13.8 16.3 10.4 16.8 62 70 B S S S- 0 0 34 3,-1.1 -1,-0.2 85,-0.1 84,-0.1 -0.895 86.5 -82.4-164.3-179.0 17.1 13.4 14.4 63 71 B D S S+ 0 0 74 -2,-0.2 74,-2.8 1,-0.2 72,-0.1 0.695 130.7 28.3 -70.1 -17.4 16.8 14.1 10.6 64 72 B R S S+ 0 0 59 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.483 108.8 76.0-118.6 -11.5 20.1 12.2 10.1 65 73 B W E - M 0 132C 14 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.1 -0.942 48.2-172.2-119.8 133.3 20.4 9.6 12.9 66 74 B V E -LM 60 131C 0 65,-2.4 65,-2.4 -2,-0.4 2,-0.4 -0.963 13.0-149.5-120.5 132.5 18.7 6.3 13.5 67 75 B L E +LM 59 130C 0 -8,-2.5 -8,-2.1 -2,-0.4 2,-0.2 -0.873 28.7 149.3-104.9 133.2 19.0 4.3 16.8 68 76 B T E - M 0 129C 0 61,-2.6 61,-2.0 -2,-0.4 2,-0.4 -0.788 49.3 -77.8-147.3-174.3 18.9 0.4 16.8 69 77 B A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.3 4,-0.5 -0.810 33.7-131.9 -92.5 137.2 20.2 -2.6 18.7 70 78 B A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 3,-1.7 0.854 105.1 65.0 -54.8 -34.1 23.8 -3.6 17.9 71 79 B H G 34 S+ 0 0 8 1,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.671 88.9 66.6 -69.8 -15.4 22.6 -7.3 17.5 72 80 B b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.776 117.8 25.1 -69.4 -28.6 20.5 -6.3 14.5 73 81 B L T <4 S+ 0 0 0 -3,-1.7 9,-2.6 -4,-0.5 2,-0.5 0.783 130.7 32.2-104.4 -40.6 23.8 -5.5 12.7 74 82 B L E < +P 81 0D 39 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.946 58.6 141.5-129.5 110.9 26.4 -7.7 14.4 75 83 B Y E > > -P 80 0D 42 5,-2.9 3,-2.0 -2,-0.5 5,-2.0 -0.596 21.4-174.6-146.4 81.0 25.6 -11.1 15.8 76 84 B P G > 5S+ 0 0 45 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.788 79.3 66.7 -48.4 -37.7 28.4 -13.7 15.3 77 85 B P G 3 5S+ 0 0 67 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.748 113.3 32.4 -55.9 -27.1 26.4 -16.7 16.7 78 86 B W G < 5S- 0 0 142 -3,-2.0 0, 0.0 2,-0.1 0, 0.0 0.152 117.8-108.1-112.8 15.4 23.9 -16.5 13.8 79 87 B D T < 5 + 0 0 154 -3,-1.9 2,-0.5 1,-0.2 -5,-0.0 0.747 66.2 155.0 61.0 31.3 26.5 -15.2 11.2 80 88 B K E < +P 75 0D 38 -5,-2.0 -5,-2.9 -9,-0.1 -1,-0.2 -0.796 4.5 141.9 -92.1 122.1 25.0 -11.7 11.2 81 89 B N E -P 74 0D 116 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.482 26.4-173.1-159.2 78.1 27.5 -9.0 10.2 82 90 B F - 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