==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-NOV-10 3PO1 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12858.0 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.9 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 1 2 1 0 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 0 122 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.8 13.6 20.8 19.9 2 8 A D > + 0 0 77 144,-0.0 3,-1.1 3,-0.0 145,-0.1 0.159 360.0 144.3 -97.2 14.2 10.3 19.6 18.5 3 9 A a T 3 + 0 0 26 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.152 58.4 14.4 -61.3 146.6 11.0 16.0 19.5 4 10 A G T 3 S+ 0 0 0 141,-3.0 237,-2.1 1,-0.2 2,-0.5 0.593 89.4 116.2 72.0 13.6 8.4 13.7 20.8 5 11 A L < - 0 0 34 -3,-1.1 -1,-0.2 140,-0.3 235,-0.1 -0.977 59.9-140.7-113.8 116.6 5.4 15.7 19.7 6 12 A R > > - 0 0 0 -2,-0.5 5,-2.5 1,-0.1 3,-1.5 -0.641 6.0-140.3 -87.7 127.8 3.4 13.8 17.1 7 13 A P T 3 5S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.832 104.3 43.5 -52.0 -37.3 1.8 15.8 14.2 8 14 A L T 3 5S+ 0 0 29 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.477 130.8 17.2 -91.7 -0.6 -1.4 13.7 14.4 9 15 A F T X >S+ 0 0 14 -3,-1.5 5,-2.4 29,-0.1 3,-1.8 0.413 129.2 26.0-129.5 -88.1 -1.7 13.7 18.2 10 16 A E G > 5S+ 0 0 30 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.840 120.4 55.8 -51.6 -42.9 0.1 16.2 20.4 11 17 A K G 3 - 0 0 6 -2,-0.4 3,-0.6 1,-0.1 4,-0.4 -0.416 35.5 -97.5 -78.9 166.5 -4.5 8.1 21.0 17 23 A K T 3 S+ 0 0 175 1,-0.2 -1,-0.1 2,-0.1 4,-0.0 0.696 114.3 24.5 -63.6 -20.6 -6.7 5.3 22.2 18 24 A T T >> S+ 0 0 45 2,-0.1 3,-1.5 1,-0.1 4,-0.7 0.443 85.9 99.0-126.2 0.9 -4.3 3.9 24.9 19 25 A E H X> S+ 0 0 14 -3,-0.6 4,-1.8 1,-0.3 3,-0.7 0.821 78.1 66.7 -62.1 -28.7 -1.9 6.7 26.0 20 26 A R H 3> S+ 0 0 126 -4,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.810 91.7 63.1 -60.6 -27.8 -4.1 7.3 29.1 21 27 A E H <> S+ 0 0 52 -3,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.851 103.7 48.1 -63.7 -35.4 -3.1 3.8 30.3 22 28 A L H XX S+ 0 0 0 -4,-0.7 3,-1.0 -3,-0.7 4,-0.8 0.973 111.8 48.4 -67.2 -52.0 0.5 5.1 30.5 23 29 A L H >< S+ 0 0 72 -4,-1.8 3,-1.2 1,-0.3 -2,-0.2 0.889 108.2 54.7 -53.1 -44.6 -0.5 8.3 32.4 24 30 A E H 3< S+ 0 0 131 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.764 104.0 55.6 -66.6 -22.0 -2.5 6.3 34.9 25 31 A S H << S+ 0 0 16 -3,-1.0 2,-2.1 -4,-0.8 -1,-0.3 0.674 83.8 87.3 -82.6 -15.8 0.4 4.1 35.7 26 32 A Y << 0 0 28 -3,-1.2 -1,-0.2 -4,-0.8 136,-0.1 -0.513 360.0 360.0 -87.2 72.2 2.6 7.1 36.6 27 33 A I 0 0 172 -2,-2.1 -1,-0.2 -3,-0.0 -2,-0.1 0.587 360.0 360.0 -82.3 360.0 1.5 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,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.8 4.5 -8.0 19.1 30 38 B V B -A 221 0A 8 191,-2.7 191,-1.5 1,-0.2 143,-0.1 -0.849 360.0 -0.1-101.8 129.6 2.4 -10.6 21.0 31 39 B E S S+ 0 0 119 141,-0.5 -1,-0.2 -2,-0.5 188,-0.2 0.826 101.7 122.9 63.0 34.3 -1.1 -9.7 22.4 32 40 B G - 0 0 24 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.075 53.2-125.1 -97.4-156.3 -0.8 -6.1 21.0 33 41 B S E -B 184 0B 73 151,-1.6 151,-2.6 -2,-0.1 2,-0.1 -0.935 35.8 -71.4-146.8 169.0 -3.2 -4.3 18.7 34 42 B D E -B 183 0B 100 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.420 53.2-119.0 -61.6 135.3 -3.0 -2.4 15.4 35 43 B A - 0 0 7 147,-2.9 2,-0.2 59,-0.1 -1,-0.1 -0.409 26.2-115.6 -65.7 150.8 -1.2 1.0 15.7 36 44 B E > - 0 0 39 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.542 46.8 -81.0 -77.4 159.0 -3.3 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 -0.441 117.2 3.8 -61.8 129.1 -2.1 6.1 11.9 38 46 B G T 3 S+ 0 0 11 -2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.565 91.8 127.0 72.0 12.7 0.8 8.4 13.0 39 47 B M S < S+ 0 0 5 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.771 83.8 24.1 -70.5 -29.1 0.8 6.9 16.5 40 48 B S > + 0 0 11 -4,-0.3 3,-2.5 1,-0.1 -1,-0.3 -0.491 69.7 164.9-136.5 67.7 4.5 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 0.551 76.3 58.9 -71.5 -8.5 6.1 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 0.434 78.0 119.5 -91.6 -4.0 9.6 7.8 15.0 43 51 B Q E < -J 59 0C 2 -3,-2.5 49,-0.9 16,-0.2 50,-0.4 -0.405 44.9-169.5 -66.5 133.5 9.2 4.0 14.2 44 52 B V E -JK 58 91C 0 14,-2.5 14,-1.3 47,-0.2 2,-0.5 -0.956 13.9-143.3-125.1 141.3 11.8 2.8 11.7 45 53 B M E -JK 57 90C 0 45,-2.7 45,-2.7 -2,-0.4 2,-0.6 -0.939 9.6-144.8-102.3 127.0 11.8 -0.5 9.8 46 54 B L E -JK 56 89C 0 10,-3.4 9,-3.1 -2,-0.5 10,-1.2 -0.839 25.2-166.3 -89.4 123.7 15.2 -2.1 9.1 47 55 B F E -JK 54 88C 0 41,-2.9 41,-2.8 -2,-0.6 2,-0.4 -0.947 18.1-137.5-124.5 124.4 14.9 -3.8 5.8 48 56 B R E > -JK 53 87C 91 5,-2.5 5,-1.1 -2,-0.5 39,-0.2 -0.718 13.2-153.8 -79.0 129.8 17.2 -6.4 4.2 49 57 B K T 5S+ 0 0 41 37,-2.1 3,-0.2 -2,-0.4 -1,-0.1 0.963 79.3 45.0 -67.0 -62.2 17.8 -5.6 0.4 50 58 B S T 5S+ 0 0 97 36,-0.4 -1,-0.2 1,-0.3 3,-0.1 -0.929 125.3 23.8-109.0 134.7 18.6 -9.1 -1.0 51 59 B P T 5S- 0 0 91 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.893 104.2-131.7 23.7 99.4 16.3 -11.5 0.3 52 60 B Q T 5 + 0 0 52 -3,-0.2 229,-0.3 229,-0.1 2,-0.3 -0.524 53.6 129.6 -65.4 113.9 13.8 -8.6 1.0 53 61 B E E < -J 48 0C 71 -5,-1.1 -5,-2.5 -2,-0.5 2,-0.3 -0.982 63.6 -84.5-160.8 161.9 12.7 -9.1 4.5 54 62 B L E +J 47 0C 29 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.621 38.0 175.9 -71.0 131.5 12.2 -7.4 7.8 55 63 B L E - 0 0 11 -9,-3.1 2,-0.3 1,-0.4 170,-0.2 0.807 55.1 -47.3 -96.2 -50.0 15.4 -7.4 9.9 56 64 B b E -J 46 0C 3 -10,-1.2 -10,-3.4 170,-0.1 -1,-0.4 -0.976 53.2 -90.4-171.4 170.5 14.4 -5.3 12.9 57 65 B G E +J 45 0C 2 170,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.398 39.1 170.4 -92.5 176.7 12.8 -2.2 14.3 58 66 B A E -J 44 0C 0 -14,-1.3 -14,-2.5 10,-0.1 2,-0.3 -0.922 22.7-119.9-171.8 175.7 14.6 1.0 15.0 59 67 B S E -JL 43 67C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.994 14.3-123.7-140.7 147.4 13.8 4.6 15.9 60 68 B L E + L 0 66C 0 -18,-2.4 86,-2.2 -2,-0.3 6,-0.2 -0.752 29.9 167.3 -91.3 121.3 14.2 8.1 14.4 61 69 B I - 0 0 23 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.540 67.9 -11.7-111.8 -8.6 16.1 10.5 16.7 62 70 B S S S- 0 0 35 3,-1.1 -1,-0.2 85,-0.1 75,-0.1 -0.926 87.7 -76.4-166.6-173.7 16.9 13.4 14.3 63 71 B D S S+ 0 0 44 -2,-0.3 74,-2.4 1,-0.2 72,-0.1 0.718 129.8 23.9 -70.0 -14.9 16.8 14.1 10.6 64 72 B R S S+ 0 0 106 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.488 108.9 78.5-125.2 -9.4 20.0 12.0 10.0 65 73 B W E - M 0 132C 12 67,-0.2 -4,-2.4 65,-0.0 -3,-1.1 -0.931 47.0-175.2-122.2 132.4 20.2 9.6 13.0 66 74 B V E -LM 60 131C 0 65,-2.1 65,-2.4 -2,-0.4 2,-0.3 -0.973 14.4-148.2-124.1 131.5 18.4 6.3 13.6 67 75 B L E +LM 59 130C 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.3 -0.801 28.3 150.4-102.6 140.5 18.8 4.3 16.8 68 76 B T E - M 0 129C 0 61,-2.8 61,-2.0 -2,-0.3 2,-0.4 -0.856 48.4 -74.9-150.6-177.4 18.6 0.4 17.0 69 77 B A > - 0 0 0 -12,-0.4 3,-1.7 -2,-0.3 4,-0.4 -0.795 33.8-134.6 -85.6 132.6 19.9 -2.7 18.8 70 78 B A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.3 3,-2.0 0.867 104.4 63.0 -50.7 -38.2 23.5 -3.7 18.1 71 79 B H G 34 S+ 0 0 8 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.643 90.1 66.8 -69.7 -16.4 22.3 -7.3 17.7 72 80 B b G <4 S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.752 117.6 24.9 -67.2 -27.3 20.1 -6.4 14.7 73 81 B L T <4 S+ 0 0 1 -3,-2.0 9,-2.5 -4,-0.4 2,-0.4 0.709 132.0 30.7-108.0 -35.0 23.3 -5.6 12.8 74 82 B L E < +P 81 0D 30 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.926 61.0 135.8-138.3 106.5 26.0 -7.8 14.6 75 83 B Y E > > -P 80 0D 45 5,-2.8 3,-1.9 -2,-0.4 5,-1.7 -0.590 25.3-171.5-150.5 86.6 25.3 -11.1 16.1 76 84 B P G > 5S+ 0 0 47 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.823 83.1 63.5 -47.1 -43.5 27.8 -13.9 15.4 77 85 B P G 3 5S+ 0 0 74 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.802 112.9 37.4 -55.5 -27.7 25.7 -16.8 17.0 78 86 B W G < 5S- 0 0 128 -3,-1.9 -3,-0.0 2,-0.1 0, 0.0 0.182 118.5-112.8-102.5 14.6 23.0 -16.1 14.3 79 87 B D T < 5 + 0 0 156 -3,-2.6 2,-0.5 1,-0.2 -5,-0.0 0.890 66.0 150.7 51.1 46.2 25.6 -15.3 11.6 80 88 B K E < +P 75 0D 35 -5,-1.7 -5,-2.8 2,-0.0 -1,-0.2 -0.938 8.7 138.9-110.7 124.2 24.6 -11.7 11.4 81 89 B N E -P 74 0D 120 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.446 30.0-172.9-158.6 73.1 27.2 -9.1 10.4 82 90 B F - 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