==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 22-AUG-01 1GL0 . COMPND 2 MOLECULE: PROTEASE INHIBITOR LCMI I; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.ROUSSEL,C.KELLENBERGER . 273 3 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 63.0 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 . 85 31.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 . 1 0.4 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 . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 1 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 . 3 4 4 3 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 . 0 0 0 0 0 1 0 0 0 0 1 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 E a 0 0 96 0, 0.0 117,-0.3 0, 0.0 118,-0.1 0.000 360.0 360.0 360.0 166.8 7.4 48.2 18.3 2 2 E G + 0 0 0 115,-2.9 202,-2.5 201,-0.2 116,-0.1 0.784 360.0 111.8 57.5 33.2 6.8 51.2 16.1 3 3 E V - 0 0 92 114,-0.5 -1,-0.1 200,-0.2 114,-0.1 -0.773 55.0-154.0-137.3 88.9 3.4 52.1 17.5 4 4 E P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 19,-0.1 -0.365 13.9-143.8 -65.7 141.0 3.4 55.4 19.5 5 5 E A S S+ 0 0 62 108,-0.4 2,-0.8 1,-0.2 18,-0.1 0.792 99.9 53.3 -71.6 -28.8 0.7 55.7 22.2 6 6 E I S S- 0 0 47 16,-0.5 -1,-0.2 107,-0.4 14,-0.1 -0.888 97.4-133.2-109.4 99.0 0.5 59.4 21.1 7 7 E Q - 0 0 107 -2,-0.8 2,-0.2 -3,-0.1 16,-0.1 -0.320 21.1-123.8 -57.2 124.8 -0.1 59.4 17.4 8 8 E P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.483 17.6-143.7 -72.7 135.0 2.3 61.9 15.6 9 9 E V - 0 0 101 -2,-0.2 2,-0.5 0, 0.0 11,-0.2 -0.885 16.6-169.3-103.0 125.2 0.7 64.6 13.5 10 10 E L 0 0 53 -2,-0.5 9,-0.0 1,-0.2 145,-0.0 -0.960 360.0 360.0-120.4 129.8 2.6 65.6 10.3 11 11 E S 0 0 132 -2,-0.5 -1,-0.2 145,-0.0 144,-0.0 0.959 360.0 360.0 -79.0 360.0 1.8 68.5 8.1 12 ! 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 13 16 E I > 0 0 1 0, 0.0 3,-1.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 111.6 16.5 69.7 11.3 14 17 E V B 3 +A 186 0A 11 172,-3.2 172,-1.4 1,-0.3 128,-0.1 -0.565 360.0 5.8 -72.2 126.4 16.5 72.7 8.9 15 18 E N T 3 S+ 0 0 102 126,-0.7 -1,-0.3 -2,-0.4 126,-0.1 0.743 100.1 137.2 72.0 25.8 12.9 73.6 8.0 16 19 E G < - 0 0 23 -3,-1.4 2,-0.3 170,-0.1 139,-0.2 0.286 43.8-132.4 -79.8-149.3 11.4 71.1 10.4 17 20 E E E -B 154 0B 58 137,-0.8 137,-1.9 -3,-0.0 2,-0.0 -0.933 29.9 -82.8-168.5 147.3 8.5 71.6 12.7 18 21 E E E -B 153 0B 102 -2,-0.3 135,-0.2 135,-0.2 2,-0.1 -0.331 45.6-135.5 -58.4 132.2 7.7 70.9 16.4 19 22 E A - 0 0 3 133,-2.3 -1,-0.1 49,-0.1 -9,-0.1 -0.444 28.8 -94.6 -84.6 161.2 6.7 67.3 16.9 20 23 E V > - 0 0 50 -11,-0.2 3,-2.5 -2,-0.1 4,-0.2 -0.650 59.8 -91.7 -73.9 131.6 3.7 66.5 19.1 21 24 E P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.211 107.5 0.2 -49.3 121.8 5.2 65.8 22.6 22 25 E G T 3 S+ 0 0 18 45,-0.2 -16,-0.5 2,-0.1 -17,-0.2 0.593 91.7 123.7 74.5 12.0 6.0 62.1 22.9 23 26 E S S < S+ 0 0 1 -3,-2.5 -1,-0.1 1,-0.3 3,-0.1 0.540 76.6 47.4 -81.1 -6.7 4.7 61.2 19.4 24 27 E W S > S+ 0 0 7 -4,-0.2 3,-2.2 90,-0.1 -1,-0.3 -0.549 74.4 173.8-129.5 63.5 8.1 59.7 18.6 25 28 E P T 3 S+ 0 0 5 0, 0.0 91,-1.1 0, 0.0 41,-0.3 0.563 70.7 58.2 -48.2 -19.8 8.6 57.6 21.8 26 29 E W T 3 S+ 0 0 0 89,-0.2 17,-2.5 91,-0.1 2,-0.6 0.497 78.2 108.8 -93.9 -4.6 11.8 55.8 20.6 27 30 E Q E < +M 42 0C 8 -3,-2.2 40,-0.4 15,-0.2 39,-0.3 -0.637 46.7 178.8 -77.9 112.9 13.8 59.0 20.1 28 31 E V E -M 41 0C 0 13,-2.6 13,-1.3 -2,-0.6 2,-0.4 -0.708 22.1-132.3-111.3 166.0 16.5 59.4 22.8 29 32 E S E -MN 40 64C 0 35,-2.0 35,-2.6 -2,-0.2 2,-0.6 -0.973 10.4-144.7-121.0 130.6 19.1 62.1 23.4 30 33 E L E +MN 39 63C 0 9,-2.8 8,-2.1 -2,-0.4 9,-1.1 -0.853 27.3 179.1 -95.7 120.4 22.8 61.3 24.0 31 34 E Q E -MN 37 62C 14 31,-2.6 31,-2.8 -2,-0.6 6,-0.2 -0.918 22.8-127.1-125.6 150.2 24.3 63.9 26.5 32 35 E D > - 0 0 32 4,-1.8 3,-2.3 -2,-0.3 29,-0.1 -0.175 50.3 -77.6 -81.4-179.2 27.7 64.3 28.0 33 36 E K T 3 S+ 0 0 170 1,-0.3 -1,-0.1 27,-0.2 28,-0.1 0.843 131.7 49.9 -47.0 -42.6 28.4 64.7 31.8 34 37 E T T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.425 122.5-101.1 -81.5 -0.1 27.3 68.4 31.8 35 38 E G < + 0 0 38 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.595 67.7 155.0 91.8 11.2 24.0 67.7 30.0 36 39 E F - 0 0 61 1,-0.1 -4,-1.8 2,-0.0 2,-0.6 -0.591 40.4-133.5 -77.3 129.3 25.1 68.8 26.5 37 40 E H E +M 31 0C 9 -2,-0.4 -6,-0.2 -6,-0.2 111,-0.1 -0.724 39.2 155.2 -84.4 120.3 23.2 67.2 23.6 38 41 E F E + 0 0 18 -8,-2.1 234,-2.7 -2,-0.6 2,-0.3 0.552 59.9 9.4-121.1 -12.5 25.5 65.9 20.9 39 42 E b E -M 30 0C 0 -9,-1.1 -9,-2.8 232,-0.2 -1,-0.3 -0.994 60.0-125.0-163.5 160.6 23.6 63.2 19.2 40 43 E G E -M 29 0C 3 152,-3.7 12,-0.4 -2,-0.3 2,-0.3 -0.484 26.4-178.4-101.6 176.4 20.3 61.4 18.8 41 44 E G E -M 28 0C 0 -13,-1.3 -13,-2.6 -2,-0.2 2,-0.4 -0.972 19.6-125.8-167.0 164.8 19.5 57.7 19.1 42 45 E S E -MO 27 50C 1 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.985 16.6-130.8-129.3 133.4 16.7 55.2 18.9 43 46 E L E + O 0 49C 0 -17,-2.5 75,-2.4 -2,-0.4 6,-0.2 -0.668 23.2 177.3 -77.6 123.1 15.5 52.6 21.4 44 47 E I S S- 0 0 18 4,-1.9 2,-0.3 -2,-0.5 -1,-0.2 0.586 71.2 -19.1-101.7 -14.1 15.2 49.3 19.7 45 48 E N S S- 0 0 36 3,-1.0 3,-0.5 71,-0.1 -1,-0.3 -0.924 90.3 -70.0-170.7-177.7 14.1 47.5 22.9 46 49 E E S S+ 0 0 89 -2,-0.3 63,-2.8 1,-0.2 61,-0.1 0.692 127.9 32.4 -64.0 -18.2 14.2 48.1 26.7 47 50 E N S S+ 0 0 61 61,-0.2 58,-3.3 1,-0.1 2,-0.4 0.504 109.1 65.7-116.7 -7.2 18.0 47.6 26.9 48 51 E W E - P 0 104C 12 -3,-0.5 -4,-1.9 56,-0.2 -3,-1.0 -0.928 46.8-171.8-127.3 147.6 19.5 48.9 23.7 49 52 E V E -OP 43 103C 0 54,-1.6 54,-2.3 -2,-0.4 2,-0.4 -0.994 15.2-149.2-129.5 135.5 19.9 52.1 21.7 50 53 E V E +OP 42 102C 5 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.3 -0.888 28.9 155.1-106.1 136.8 21.2 52.3 18.2 51 54 E T E - P 0 101C 0 50,-2.8 50,-2.8 -2,-0.4 2,-0.2 -0.869 47.3 -70.2-147.0 178.6 23.1 55.4 17.1 52 55 E A > - 0 0 1 -12,-0.4 3,-1.2 -2,-0.3 48,-0.3 -0.535 35.5-134.0 -77.7 144.6 25.7 56.6 14.6 53 56 E A G > S+ 0 0 4 1,-0.2 3,-1.4 -2,-0.2 4,-0.2 0.797 100.5 65.1 -68.3 -28.9 29.3 55.3 15.1 54 57 E H G 3 S+ 0 0 17 1,-0.3 -1,-0.2 2,-0.1 217,-0.1 0.465 80.2 79.5 -75.8 0.3 30.8 58.8 14.6 55 58 E b G < S- 0 0 5 -3,-1.2 -1,-0.3 -15,-0.1 -2,-0.1 0.678 88.8-146.3 -78.6 -14.5 29.1 60.2 17.7 56 59 E G < - 0 0 53 -3,-1.4 2,-0.3 -4,-0.2 -2,-0.1 0.959 21.6-168.0 48.1 65.0 31.9 58.5 19.6 57 60 E V - 0 0 13 -4,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.641 4.2-163.7 -86.3 140.6 29.8 57.7 22.6 58 61 E T > - 0 0 73 -2,-0.3 3,-2.8 1,-0.0 24,-0.1 -0.850 37.6-108.9-120.9 158.8 31.5 56.5 25.8 59 62 E T T 3 S+ 0 0 85 1,-0.3 23,-0.4 -2,-0.3 -1,-0.0 0.626 118.3 72.0 -60.2 -8.8 30.1 54.8 28.9 60 63 E S T 3 S+ 0 0 51 21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.357 87.9 80.5 -86.7 3.9 30.8 58.2 30.4 61 64 E D S < S- 0 0 20 -3,-2.8 21,-0.8 -29,-0.1 2,-0.4 -0.623 74.3-131.4-105.5 167.6 27.8 59.6 28.4 62 65 E V E -NQ 31 81C 30 -31,-2.8 -31,-2.6 -2,-0.2 2,-0.5 -0.951 2.5-138.7-127.9 143.6 24.1 59.3 29.3 63 66 E V E -NQ 30 80C 0 17,-2.2 17,-3.4 -2,-0.4 2,-0.6 -0.856 18.9-159.6 -97.8 127.8 21.0 58.3 27.3 64 67 E V E -NQ 29 79C 1 -35,-2.6 -35,-2.0 -2,-0.5 3,-0.3 -0.934 11.5-176.4-114.7 118.7 17.9 60.4 27.9 65 68 E A E + Q 0 78C 0 13,-1.9 13,-1.9 -2,-0.6 -37,-0.1 -0.702 58.7 30.4-110.6 161.6 14.4 59.1 27.1 66 69 E G S S+ 0 0 16 48,-0.4 2,-0.4 -39,-0.3 10,-0.2 0.742 83.7 142.2 66.6 27.3 10.9 60.5 27.2 67 70 E E + 0 0 23 -40,-0.4 -1,-0.2 -3,-0.3 -45,-0.2 -0.819 20.1 155.0-106.3 137.6 12.2 64.0 26.5 68 71 E F S S+ 0 0 21 -2,-0.4 84,-1.9 1,-0.3 2,-0.7 0.679 74.9 35.3-118.1 -60.6 10.5 66.7 24.3 69 72 E D B > -S 151 0D 18 82,-0.2 3,-1.1 1,-0.1 -1,-0.3 -0.902 65.3-163.4-102.8 109.3 11.7 70.1 25.5 70 73 E Q T 3 S+ 0 0 43 80,-2.6 -1,-0.1 -2,-0.7 81,-0.1 0.670 88.5 57.5 -68.7 -15.9 15.3 69.9 26.6 71 74 E G T 3 S+ 0 0 51 79,-0.2 -1,-0.2 -3,-0.0 2,-0.1 0.622 90.3 92.7 -88.7 -12.8 15.1 73.2 28.5 72 75 E S < - 0 0 43 -3,-1.1 -4,-0.0 78,-0.2 0, 0.0 -0.461 49.0-173.1 -82.5 152.3 12.2 72.0 30.6 73 76 E S S S+ 0 0 126 -2,-0.1 -1,-0.1 1,-0.0 4,-0.1 0.271 77.3 74.9-123.0 4.0 12.6 70.4 34.0 74 77 E S S S+ 0 0 84 2,-0.1 2,-0.1 0, 0.0 -1,-0.0 0.546 73.1 100.9 -94.0 -10.2 8.9 69.5 34.5 75 78 E E S S- 0 0 47 -6,-0.2 2,-1.1 1,-0.1 -8,-0.1 -0.375 77.9-122.8 -74.6 156.2 9.0 66.5 32.0 76 79 E K + 0 0 176 -10,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.633 49.0 166.1 -99.6 74.0 9.2 63.0 33.3 77 80 E I - 0 0 59 -2,-1.1 2,-0.4 -4,-0.1 -11,-0.2 -0.196 32.9-133.1 -82.1 177.0 12.4 61.9 31.5 78 81 E Q E -Q 65 0C 46 -13,-1.9 -13,-1.9 2,-0.0 2,-0.7 -0.865 10.2-160.5-135.9 100.1 14.6 58.9 32.1 79 82 E K E -Q 64 0C 145 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.729 20.9-171.4 -82.5 116.2 18.3 59.4 32.3 80 83 E L E -Q 63 0C 9 -17,-3.4 -17,-2.2 -2,-0.7 2,-0.3 -0.817 17.2-125.4-110.9 149.4 19.9 55.9 31.7 81 84 E K E -Q 62 0C 132 -2,-0.3 25,-3.0 -19,-0.2 2,-0.7 -0.679 19.5-122.9 -95.5 147.5 23.5 54.8 32.1 82 85 E I E -R 105 0C 4 -21,-0.8 23,-0.2 -23,-0.4 3,-0.1 -0.783 23.6-178.0 -91.0 116.7 25.5 53.1 29.3 83 86 E A E - 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