==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-DEC-99 1DLK . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.MAC SWEENEY,G.BIRRANE,M.A.WALSH,T.O'CONNELL,J.P.G.MALTHOUS . 492 6 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 31.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 6 1 8 6 4 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 . 0 0 0 0 0 2 0 0 2 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 1 A a 0 0 104 0, 0.0 119,-0.2 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 154.6 73.7 25.9 46.8 2 2 A G + 0 0 0 117,-3.0 204,-3.6 203,-0.2 118,-0.1 0.569 360.0 103.0 61.7 19.7 74.5 27.5 50.2 3 3 A V - 0 0 96 116,-0.3 2,-0.1 202,-0.2 -1,-0.1 -0.911 63.5-144.4-135.2 98.9 72.2 25.6 52.5 4 4 A P - 0 0 20 0, 0.0 112,-0.1 0, 0.0 21,-0.1 -0.455 12.4-141.5 -66.7 144.5 74.1 23.0 54.4 5 5 A A S S+ 0 0 63 110,-0.4 2,-0.7 1,-0.2 111,-0.1 0.821 100.2 54.5 -70.0 -36.2 72.5 19.6 55.3 6 6 A I S S- 0 0 60 109,-0.5 -1,-0.2 18,-0.5 16,-0.1 -0.889 99.5-125.7-103.8 111.7 74.2 19.9 58.7 7 7 A Q - 0 0 158 -2,-0.7 18,-0.1 1,-0.1 2,-0.1 -0.323 16.4-124.0 -63.2 127.0 73.3 23.3 60.3 8 8 A P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.383 18.1-152.7 -63.3 142.1 76.0 25.6 61.4 9 9 A V + 0 0 99 -2,-0.1 2,-0.3 13,-0.0 13,-0.2 -0.962 20.7 178.9-120.9 110.1 75.9 26.7 65.0 10 10 A L - 0 0 40 -2,-0.5 3,-0.4 1,-0.1 11,-0.0 -0.904 33.4-143.4-115.2 149.1 77.5 30.1 65.7 11 11 A S S S+ 0 0 102 -2,-0.3 -1,-0.1 1,-0.2 146,-0.0 0.748 94.7 51.6 -77.0 -27.8 77.9 32.3 68.8 12 12 A G 0 0 36 1,-0.2 -1,-0.2 147,-0.0 122,-0.0 0.390 360.0 360.0 -99.6 6.8 77.4 35.6 66.9 13 13 A L 0 0 164 -3,-0.4 -1,-0.2 121,-0.0 -2,-0.1 0.247 360.0 360.0 94.1 360.0 74.1 35.6 64.9 14 !* 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 15 16 B I > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 126.7 91.3 32.4 62.2 16 17 B V B 3 +A 188 0A 17 172,-3.6 172,-1.5 1,-0.2 128,-0.1 -0.853 360.0 0.7 -92.3 129.7 92.2 34.2 65.5 17 18 B N T 3 S+ 0 0 103 -2,-0.5 -1,-0.2 126,-0.5 2,-0.1 0.858 99.8 128.9 67.7 35.4 89.7 34.1 68.3 18 19 B G < - 0 0 28 -3,-0.6 2,-0.3 139,-0.1 139,-0.2 -0.244 51.3-122.0-102.6-158.7 87.3 31.9 66.3 19 20 B E E -B 156 0B 54 137,-2.4 137,-2.4 -2,-0.1 2,-0.0 -0.945 30.1 -85.4-144.6 159.5 85.6 28.7 67.4 20 21 B E E -B 155 0B 86 -2,-0.3 135,-0.2 135,-0.2 2,-0.2 -0.377 46.1-130.6 -65.7 144.6 85.5 25.1 66.1 21 22 B A - 0 0 5 133,-2.0 -1,-0.1 49,-0.1 -11,-0.1 -0.590 26.8 -95.7 -84.8 163.6 82.7 24.6 63.6 22 23 B V > - 0 0 47 -2,-0.2 3,-2.3 -13,-0.2 4,-0.3 -0.595 57.5 -95.8 -75.6 136.7 80.2 21.8 63.7 23 24 B P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.212 105.5 5.5 -58.3 132.5 81.6 19.0 61.5 24 25 B G T 3 S+ 0 0 16 45,-0.2 -18,-0.5 2,-0.1 -19,-0.2 0.400 93.5 117.2 73.8 1.4 80.2 19.1 58.0 25 26 B S S < S+ 0 0 0 -3,-2.3 -1,-0.1 1,-0.2 3,-0.1 0.610 76.8 45.9 -78.6 -8.7 78.3 22.4 58.6 26 27 B W S > S+ 0 0 7 -4,-0.3 3,-2.2 90,-0.1 -1,-0.2 -0.716 73.5 171.1-125.7 71.6 80.4 24.4 55.9 27 28 B P T 3 S+ 0 0 3 0, 0.0 91,-0.9 0, 0.0 41,-0.3 0.648 70.8 56.3 -65.0 -22.0 80.2 21.8 53.2 28 29 B W T 3 S+ 0 0 0 89,-0.2 17,-2.1 91,-0.1 2,-0.3 0.581 80.1 110.7 -84.1 -12.4 81.7 23.9 50.4 29 30 B Q E < -K 44 0C 5 -3,-2.2 39,-0.6 15,-0.2 2,-0.3 -0.529 47.8-178.1 -66.3 118.0 84.9 24.6 52.5 30 31 B V E -KL 43 67C 0 13,-2.3 13,-1.3 -2,-0.3 2,-0.4 -0.810 21.3-135.1-110.8 162.0 87.9 22.8 50.9 31 32 B S E -KL 42 66C 0 35,-2.0 35,-3.5 -2,-0.3 2,-0.5 -0.948 10.8-146.3-113.9 134.2 91.6 22.6 52.0 32 33 B L E +KL 41 65C 0 9,-3.3 8,-1.9 -2,-0.4 9,-1.1 -0.912 29.0 174.4 -99.9 126.4 94.3 23.1 49.4 33 34 B Q E -KL 39 64C 7 31,-2.3 31,-2.4 -2,-0.5 6,-0.3 -0.958 30.9-116.5-130.1 154.9 97.3 20.9 50.4 34 35 B D > - 0 0 49 4,-2.4 3,-2.5 -2,-0.3 4,-0.1 -0.300 53.1 -82.9 -78.9-170.9 100.6 20.1 48.7 35 36 B K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 27,-0.1 28,-0.1 0.626 130.2 57.1 -67.4 -7.7 101.3 16.5 47.6 36 37 B T T 3 S- 0 0 121 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.349 121.2-101.3 -99.1 -2.3 102.3 15.6 51.2 37 38 B G S < S+ 0 0 35 -3,-2.5 2,-0.6 1,-0.3 -2,-0.1 0.671 71.4 147.3 94.0 13.8 99.1 16.7 52.9 38 39 B F - 0 0 119 -4,-0.1 -4,-2.4 1,-0.0 2,-0.5 -0.803 43.6-137.3 -88.9 121.4 100.4 20.1 54.1 39 40 B H E +K 33 0C 6 -2,-0.6 -6,-0.3 -6,-0.3 111,-0.1 -0.728 36.1 158.3 -75.7 125.8 97.5 22.6 54.1 40 41 B F E + 0 0 50 -8,-1.9 2,-0.3 -2,-0.5 152,-0.3 0.618 60.9 9.2-121.6 -21.9 98.5 26.1 52.8 41 42 B b E -K 32 0C 4 -9,-1.1 -9,-3.3 152,-0.1 -1,-0.3 -0.986 61.8-125.5-148.6 168.3 95.2 27.7 51.7 42 43 B G E -K 31 0C 1 152,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.413 24.7-179.9-102.6-173.9 91.4 27.3 51.7 43 44 B G E -K 30 0C 0 -13,-1.3 -13,-2.3 -2,-0.2 2,-0.4 -0.971 20.7-123.6-168.1 171.5 88.9 27.3 48.9 44 45 B S E -KM 29 52C 1 8,-2.3 8,-2.7 -2,-0.3 2,-0.3 -0.991 17.4-129.8-132.6 133.1 85.2 27.1 48.1 45 46 B L E + M 0 51C 0 -17,-2.1 75,-2.4 -2,-0.4 6,-0.2 -0.583 24.2 175.6 -72.3 131.3 83.3 24.6 45.9 46 47 B I S S- 0 0 18 4,-2.2 2,-0.3 1,-0.4 -1,-0.2 0.473 72.6 -14.3-113.1 -11.0 81.0 26.5 43.6 47 48 B N S S- 0 0 52 3,-1.2 3,-0.4 71,-0.1 -1,-0.4 -0.914 88.3 -76.9-169.5-173.8 79.9 23.4 41.7 48 49 B E S S+ 0 0 94 -2,-0.3 63,-3.2 1,-0.2 3,-0.1 0.679 126.6 34.0 -71.2 -25.7 81.1 19.8 41.4 49 50 B N S S+ 0 0 61 61,-0.2 58,-2.7 1,-0.1 2,-0.4 0.319 111.0 63.3-105.7 -6.0 84.0 20.6 39.0 50 51 B W E - N 0 106C 13 -3,-0.4 -4,-2.2 56,-0.2 -3,-1.2 -0.995 49.0-172.0-136.5 138.2 85.2 24.0 40.2 51 52 B V E -MN 45 105C 0 54,-2.3 54,-2.9 -2,-0.4 2,-0.4 -0.944 15.4-146.0-121.7 145.9 86.7 25.6 43.3 52 53 B V E +MN 44 104C 4 -8,-2.7 -8,-2.3 -2,-0.3 2,-0.2 -0.921 32.1 148.7-111.4 139.3 87.3 29.3 43.9 53 54 B T E - N 0 103C 0 50,-3.1 50,-2.8 -2,-0.4 2,-0.4 -0.790 48.7 -68.8-150.5-168.0 90.4 30.5 45.9 54 55 B A > - 0 0 1 -12,-0.4 3,-1.4 48,-0.3 5,-0.4 -0.734 30.4-139.0 -93.4 134.9 92.9 33.4 46.2 55 56 B A G > S+ 0 0 5 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.823 101.0 63.6 -62.6 -28.3 95.4 34.0 43.4 56 57 B H G 3 S+ 0 0 48 1,-0.3 -1,-0.3 2,-0.1 138,-0.0 0.578 81.9 79.6 -74.8 -11.3 98.2 34.7 46.0 57 58 B b G < S- 0 0 16 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.707 93.8-140.3 -65.3 -24.9 98.0 31.1 47.3 58 59 B G < - 0 0 52 -3,-1.5 -2,-0.1 -4,-0.2 -3,-0.1 0.769 27.0-172.3 69.8 34.0 100.0 30.1 44.3 59 60 B V - 0 0 15 -5,-0.4 2,-0.3 -4,-0.1 -1,-0.2 -0.172 3.6-174.1 -60.8 136.5 98.2 26.9 43.5 60 61 B T > - 0 0 66 4,-0.0 3,-2.5 26,-0.0 24,-0.1 -0.878 42.2 -96.8-121.9 176.4 99.6 24.6 40.9 61 62 B T T 3 S+ 0 0 83 -2,-0.3 23,-0.3 1,-0.3 -2,-0.1 0.483 120.0 62.5 -71.1 4.1 98.4 21.4 39.2 62 63 B S T 3 S+ 0 0 56 21,-0.1 -1,-0.3 2,-0.1 -27,-0.1 0.424 87.2 88.3-100.0 -12.5 100.5 19.3 41.7 63 64 B D S < S- 0 0 20 -3,-2.5 21,-0.7 -29,-0.1 2,-0.3 -0.429 72.7-137.5 -78.2 170.7 98.5 20.6 44.7 64 65 B V E -LO 33 83C 28 -31,-2.4 -31,-2.3 19,-0.1 2,-0.5 -0.969 3.0-132.4-130.7 149.8 95.4 18.7 45.7 65 66 B V E -LO 32 82C 0 17,-3.0 17,-2.9 -2,-0.3 2,-0.7 -0.845 17.8-158.1 -97.9 130.6 91.9 19.8 46.8 66 67 B V E -LO 31 81C 0 -35,-3.5 -35,-2.0 -2,-0.5 2,-0.3 -0.907 12.5-174.8-112.8 116.5 90.5 18.1 49.9 67 68 B A E +LO 30 80C 0 13,-2.8 13,-2.2 -2,-0.7 -37,-0.1 -0.739 61.0 24.5-107.7 145.6 86.7 18.2 50.3 68 69 B G S S+ 0 0 17 -39,-0.6 10,-0.2 -2,-0.3 2,-0.2 0.535 82.8 139.7 84.9 8.7 84.7 17.0 53.2 69 70 B E + 0 0 28 -3,-0.3 -1,-0.3 -40,-0.3 -45,-0.2 -0.493 19.8 160.4 -87.9 150.6 87.4 17.3 55.9 70 71 B F S S+ 0 0 19 1,-0.3 84,-2.1 -2,-0.2 2,-0.6 0.561 73.2 35.1-124.8 -54.7 86.8 18.6 59.4 71 72 B D B > -Q 153 0D 34 82,-0.2 3,-1.6 1,-0.1 -1,-0.3 -0.939 57.8-168.1-113.4 111.6 89.8 17.4 61.4 72 73 B Q T 3 S+ 0 0 40 80,-3.5 -1,-0.1 -2,-0.6 81,-0.1 0.705 91.3 57.2 -75.9 -17.6 93.1 17.2 59.5 73 74 B G T 3 S+ 0 0 50 79,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.332 85.4 110.7 -85.9 1.8 94.6 15.3 62.4 74 75 B S < - 0 0 40 -3,-1.6 3,-0.1 78,-0.2 -4,-0.0 -0.650 55.7-158.2 -86.9 135.9 91.9 12.6 62.0 75 76 B S S S+ 0 0 127 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.915 84.5 39.3 -65.5 -51.6 92.9 9.2 60.7 76 77 B S + 0 0 88 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.923 68.2 122.9-117.0 120.1 89.4 8.4 59.6 77 78 B E - 0 0 60 -2,-0.5 2,-1.3 -3,-0.1 -8,-0.1 -0.856 64.6-109.5-164.3 146.3 87.0 10.9 58.0 78 79 B K + 0 0 188 -2,-0.3 2,-0.2 -10,-0.2 -2,-0.1 -0.755 55.6 162.0 -94.8 98.2 85.4 10.4 54.6 79 80 B I - 0 0 48 -2,-1.3 2,-0.5 -10,-0.0 -11,-0.2 -0.671 34.8-136.4-108.5 158.5 87.3 13.0 52.6 80 81 B Q E -O 67 0C 42 -13,-2.2 -13,-2.8 -2,-0.2 2,-0.6 -0.996 10.3-157.8-119.1 126.8 87.7 13.4 48.8 81 82 B K E -O 66 0C 127 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.956 20.0-169.6-106.3 109.3 91.2 14.2 47.5 82 83 B L E -O 65 0C 7 -17,-2.9 -17,-3.0 -2,-0.6 2,-0.2 -0.938 15.5-130.8-110.3 144.9 90.6 15.7 44.2 83 84 B K E -O 64 0C 149 -2,-0.4 25,-3.3 -19,-0.2 26,-0.7 -0.576 20.0-124.0 -88.6 151.3 93.2 16.5 41.5 84 85 B I E -P 107 0C 8 -21,-0.7 23,-0.3 -23,-0.3 3,-0.1 -0.801 23.0-178.0 -95.5 127.1 93.5 19.8 39.8 85 86 B A E + 0 0 46 21,-2.8 2,-0.3 -2,-0.5 22,-0.2 0.784 68.9 7.9 -92.1 -33.4 93.3 19.8 36.1 86 87 B K E -P 106 0C 92 20,-1.8 20,-2.2 -26,-0.1 2,-0.4 -0.995 57.0-146.9-155.1 144.2 93.7 23.5 35.4 87 88 B V E -P 105 0C 48 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.962 10.5-170.0-114.1 129.1 94.5 26.7 37.2 88 89 B F E -P 104 0C 41 16,-2.6 16,-2.3 -2,-0.4 2,-0.4 -0.868 7.3-172.3-123.0 98.5 92.9 30.0 36.0 89 90 B K E -P 103 0C 127 -2,-0.5 2,-0.5 14,-0.2 14,-0.2 -0.695 36.2-105.0 -88.0 139.5 94.5 33.0 37.8 90 91 B N > - 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