==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 25-AUG-03 1Q9G . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN X; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.FERNANDEZ,C.HILTY,G.WIDER,P.GUNTERT,K.WUTHRICH . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 52.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 32.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.7 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 . 1 0.7 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 . 14 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.7 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+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 0 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 . 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 0 PARALLEL BRIDGES PER LADDER . 4 3 4 0 0 1 1 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 . 3 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 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 0 122 0, 0.0 2,-0.3 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 152.9 -7.0 -23.7 -0.5 2 2 A T - 0 0 29 29,-0.1 2,-0.4 27,-0.1 29,-0.3 -0.967 360.0-164.5-150.0 151.5 -4.8 -21.1 1.2 3 3 A S - 0 0 32 145,-0.7 145,-2.5 -2,-0.3 2,-0.3 -0.922 10.6-154.3-130.8 106.5 -5.2 -17.6 2.8 4 4 A T E -A 147 0A 17 25,-0.4 2,-0.3 -2,-0.4 25,-0.3 -0.619 18.2-171.7 -63.2 133.7 -2.2 -15.4 3.4 5 5 A V E -A 146 0A 43 141,-1.4 141,-1.4 -2,-0.3 140,-0.3 -0.984 5.5-170.7-133.2 137.3 -3.3 -13.1 6.3 6 6 A T - 0 0 17 -2,-0.3 2,-0.2 139,-0.3 139,-0.2 -0.831 22.4-160.5-137.6 163.4 -0.9 -10.2 7.3 7 7 A G + 0 0 42 -2,-0.3 137,-2.1 115,-0.2 2,-0.3 -0.715 39.4 131.4-153.6 84.3 -0.5 -7.5 10.0 8 8 A G E -BC 25 143B 6 17,-0.7 17,-2.2 135,-0.3 135,-0.3 -0.940 46.8-108.2-143.0 165.6 1.7 -4.6 9.1 9 9 A Y E -BC 24 142B 117 133,-1.2 133,-0.7 -2,-0.3 2,-0.5 -0.454 17.0-136.9 -96.3 158.9 1.9 -0.8 9.1 10 10 A A E +BC 23 141B 5 13,-2.5 13,-0.5 -2,-0.1 2,-0.4 -0.987 25.1 179.0-118.4 116.9 1.7 1.8 6.3 11 11 A Q E + C 0 140B 69 129,-1.0 129,-0.5 -2,-0.5 2,-0.2 -0.911 11.2 173.1-110.1 139.7 4.2 4.7 6.4 12 12 A S E + C 0 139B 2 7,-0.9 7,-0.5 -2,-0.4 2,-0.3 -0.724 10.7 167.2-140.8 113.8 4.6 7.5 3.9 13 13 A D E - C 0 138B 54 125,-1.1 125,-2.0 -2,-0.2 2,-0.3 -0.886 10.5-171.3-123.1 150.2 7.1 10.3 4.8 14 14 A A E > -DC 17 137B 10 3,-1.7 2,-2.5 -2,-0.3 3,-1.7 -0.956 39.9 -93.6-144.1 150.6 8.3 13.0 2.4 15 15 A Q T 3 S+ 0 0 145 121,-2.4 121,-0.1 -2,-0.3 122,-0.1 -0.402 124.9 17.5 -66.2 68.9 10.9 15.9 2.2 16 16 A G T 3 S+ 0 0 75 -2,-2.5 -1,-0.3 119,-0.1 2,-0.2 0.176 127.2 51.6 149.1 -11.5 8.4 18.5 3.4 17 17 A Q B < -D 14 0B 69 -3,-1.7 2,-1.7 2,-0.0 -3,-1.7 -0.755 56.0-169.2-151.1 96.3 5.6 16.4 5.0 18 18 A M - 0 0 146 -5,-0.2 2,-1.1 -2,-0.2 -5,-0.2 -0.599 17.8-175.9 -84.8 68.2 6.6 13.8 7.6 19 19 A N - 0 0 15 -2,-1.7 -7,-0.9 -7,-0.5 3,-0.1 -0.657 24.9-131.3 -67.0 96.0 3.1 12.2 7.5 20 20 A K - 0 0 123 -2,-1.1 2,-1.4 1,-0.2 27,-0.1 -0.081 27.2 -88.9 -56.2 152.1 3.6 9.6 10.3 21 21 A M + 0 0 102 1,-0.2 -1,-0.2 25,-0.1 -10,-0.2 -0.477 65.2 149.9 -61.1 86.7 2.5 6.0 9.8 22 22 A G + 0 0 37 -2,-1.4 25,-1.3 -12,-0.2 2,-0.3 -0.401 54.8 68.1-115.1 43.5 -1.1 6.4 11.0 23 23 A G E -B 10 0B 2 -13,-0.5 -13,-2.5 23,-0.2 2,-0.2 -0.968 64.1-142.6-158.4 166.2 -2.3 3.6 8.7 24 24 A F E -B 9 0B 128 21,-0.4 21,-0.7 -15,-0.3 2,-0.3 -0.599 10.7-137.1-119.2 174.5 -2.1 -0.2 8.1 25 25 A N E +BE 8 44B 9 -17,-2.2 -17,-0.7 -2,-0.2 2,-0.3 -0.931 17.7 176.4-123.8 163.5 -1.9 -2.5 5.2 26 26 A L E - E 0 43B 102 17,-0.7 17,-0.8 -2,-0.3 2,-0.3 -0.891 8.3-163.3-143.3 171.2 -3.7 -5.8 4.4 27 27 A K - 0 0 17 -2,-0.3 2,-0.3 15,-0.2 -21,-0.3 -0.962 5.4-154.6-143.8 162.8 -3.7 -8.0 1.3 28 28 A Y + 0 0 156 13,-0.5 2,-0.3 -2,-0.3 13,-0.3 -0.994 13.1 175.3-138.0 140.0 -5.8 -10.9 -0.0 29 29 A R - 0 0 34 -2,-0.3 -25,-0.4 -25,-0.3 2,-0.3 -0.976 9.3-165.7-139.2 130.7 -4.7 -13.7 -2.4 30 30 A Y - 0 0 93 -2,-0.3 2,-0.4 -27,-0.1 9,-0.3 -0.780 19.5-134.6 -98.4 151.1 -6.8 -16.7 -3.6 31 31 A E - 0 0 67 -29,-0.3 2,-0.4 -2,-0.3 7,-0.2 -0.901 29.1-120.2 -88.0 140.4 -5.2 -19.7 -5.3 32 32 A E B > -G 35 0C 71 5,-0.9 3,-1.3 3,-0.7 5,-0.1 -0.698 14.0-137.1 -76.0 132.8 -7.2 -20.6 -8.3 33 33 A D T 3 S+ 0 0 138 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.516 103.8 40.5 -74.6 0.6 -8.5 -24.2 -7.8 34 34 A N T 3 S+ 0 0 146 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.287 122.1 29.2-126.9 2.5 -7.6 -24.9 -11.5 35 35 A S B < S-G 32 0C 58 -3,-1.3 2,-0.7 2,-0.1 -3,-0.7 -0.967 79.4-110.3-157.7 155.1 -4.3 -23.0 -11.9 36 36 A P S S+ 0 0 73 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 0.060 75.0 135.0 -74.2 29.6 -1.2 -21.9 -9.8 37 37 A L + 0 0 54 -2,-0.7 -5,-0.9 -5,-0.1 2,-0.3 -0.340 27.1 168.5 -70.6 155.2 -2.5 -18.3 -10.1 38 38 A G E -H 70 0D 0 32,-0.9 32,-1.8 -7,-0.2 2,-0.3 -0.926 17.5-150.9-143.2-178.5 -2.8 -15.7 -7.4 39 39 A V E -H 69 0D 58 -9,-0.3 2,-0.3 30,-0.3 31,-0.1 -0.916 6.0-162.2-131.8 162.4 -3.4 -11.9 -7.1 40 40 A I E +H 68 0D 11 28,-1.7 28,-0.7 -2,-0.3 2,-0.3 -0.974 12.7 168.7-135.5 155.7 -2.3 -9.4 -4.6 41 41 A G - 0 0 22 -2,-0.3 -13,-0.5 -13,-0.3 2,-0.3 -0.811 14.0-162.9-158.6 109.1 -3.7 -5.9 -3.9 42 42 A S - 0 0 2 -2,-0.3 24,-1.3 -15,-0.2 2,-0.4 -0.676 1.9-161.6 -80.2 153.9 -2.6 -3.9 -0.8 43 43 A F E -E 26 0B 143 -17,-0.8 -17,-0.7 -2,-0.3 2,-0.3 -0.981 9.1-175.1-126.2 141.1 -4.7 -1.0 0.4 44 44 A T E -E 25 0B 21 -2,-0.4 20,-0.3 -19,-0.2 2,-0.3 -0.957 8.9-178.1-127.4 145.6 -3.1 1.6 2.7 45 45 A Y - 0 0 116 -21,-0.7 -21,-0.4 -2,-0.3 2,-0.4 -0.802 7.5-179.8-143.2 107.0 -4.8 4.6 4.4 46 46 A T B +I 62 0E 4 16,-2.0 16,-0.8 -2,-0.3 2,-0.3 -0.865 6.1 166.9-103.8 141.5 -2.6 6.9 6.6 47 47 A E + 0 0 76 -25,-1.3 2,-0.3 -2,-0.4 14,-0.1 -0.984 14.5 175.8-143.1 146.0 -4.0 10.0 8.5 48 48 A K - 0 0 113 12,-0.3 12,-0.2 -2,-0.3 2,-0.1 -0.865 31.8-131.6-145.1 114.2 -2.6 12.2 11.2 49 49 A S - 0 0 92 -2,-0.3 2,-0.5 10,-0.1 10,-0.1 -0.423 26.2-152.7 -66.0 139.4 -4.9 15.2 12.1 50 50 A R + 0 0 119 -2,-0.1 8,-1.0 2,-0.0 2,-0.2 -0.909 38.9 111.1-134.0 109.7 -2.9 18.5 12.2 51 51 A T + 0 0 90 -2,-0.5 6,-0.0 6,-0.1 0, 0.0 -0.571 19.0 121.8-126.0-160.4 -3.5 21.7 14.2 52 52 A A + 0 0 85 -2,-0.2 -1,-0.0 0, 0.0 -2,-0.0 0.102 67.3 66.7 127.9 -6.9 -1.4 23.3 17.1 53 53 A S S S- 0 0 106 3,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.783 127.3 -54.1 -84.4 -86.4 -0.3 26.8 16.0 54 54 A S S S- 0 0 123 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.426 101.0 -52.7-131.2 -5.7 -3.6 28.7 15.7 55 55 A G S S+ 0 0 24 1,-0.1 2,-0.4 40,-0.0 -4,-0.1 0.478 71.2 156.3 120.4 73.0 -5.8 26.6 13.3 56 56 A D - 0 0 65 -6,-0.1 2,-0.3 38,-0.1 -1,-0.1 -0.940 36.5-139.2-122.3 100.3 -4.1 25.7 10.0 57 57 A Y + 0 0 129 -2,-0.4 36,-0.4 1,-0.1 -6,-0.1 -0.552 24.1 176.7 -62.8 124.5 -5.7 22.6 8.5 58 58 A N + 0 0 33 -8,-1.0 2,-0.3 -2,-0.3 34,-0.2 -0.563 19.4 166.0-120.3 60.4 -2.8 20.5 7.0 59 59 A K + 0 0 103 32,-1.0 2,-0.3 -2,-0.1 30,-0.1 -0.635 3.8 143.1 -75.5 139.9 -5.0 17.6 5.9 60 60 A N - 0 0 19 -2,-0.3 -12,-0.3 -12,-0.2 2,-0.3 -0.924 28.1-154.9-154.0 176.4 -3.7 15.0 3.6 61 61 A Q - 0 0 44 -2,-0.3 2,-0.4 26,-0.1 -14,-0.2 -0.951 5.0-152.9-142.0 153.6 -3.9 11.2 3.0 62 62 A Y B +I 46 0E 21 -16,-0.8 -16,-2.0 -2,-0.3 2,-0.3 -0.994 24.2 162.6-127.4 129.3 -1.5 8.7 1.4 63 63 A Y - 0 0 107 24,-0.4 24,-0.5 -2,-0.4 2,-0.4 -0.962 24.3-151.0-141.7 146.6 -3.1 5.6 -0.1 64 64 A G - 0 0 6 -2,-0.3 2,-0.8 -20,-0.3 22,-0.2 -0.824 3.1-156.8-130.7 89.2 -1.5 3.1 -2.6 65 65 A I - 0 0 73 20,-0.7 2,-0.4 -2,-0.4 -22,-0.1 -0.549 22.9-174.9 -71.4 109.0 -3.9 1.3 -5.0 66 66 A T + 0 0 6 -24,-1.3 2,-0.3 -2,-0.8 18,-0.2 -0.871 6.7 168.7-110.9 133.6 -1.7 -1.7 -5.9 67 67 A A B +J 83 0F 56 16,-1.0 16,-1.2 -2,-0.4 -26,-0.2 -0.993 14.7 96.6-152.3 145.7 -2.8 -4.3 -8.5 68 68 A G E -H 40 0D 21 -28,-0.7 -28,-1.7 -2,-0.3 14,-0.1 -0.786 57.3 -87.6 161.5 167.9 -1.7 -7.3 -10.6 69 69 A P E -H 39 0D 51 0, 0.0 2,-0.4 0, 0.0 -30,-0.3 0.089 38.9-112.1 -71.3-169.6 -1.6 -11.1 -10.6 70 70 A A E -H 38 0D 6 -32,-1.8 -32,-0.9 -31,-0.1 2,-0.3 -0.994 27.8-142.1-127.2 133.8 1.0 -13.4 -9.0 71 71 A Y - 0 0 154 8,-1.0 2,-0.8 -2,-0.4 8,-0.4 -0.732 10.3-129.7-100.3 149.7 3.3 -15.5 -11.3 72 72 A R - 0 0 132 -2,-0.3 6,-0.1 1,-0.2 4,-0.1 -0.880 29.1-179.6 -98.4 102.6 4.5 -19.1 -10.6 73 73 A I - 0 0 82 -2,-0.8 -1,-0.2 4,-0.6 3,-0.1 0.995 53.9 -70.3 -69.3 -71.9 8.3 -18.9 -11.2 74 74 A N S S- 0 0 136 1,-0.8 2,-0.1 3,-0.3 -2,-0.0 0.203 97.9 -9.9-156.6 -74.2 9.7 -22.4 -10.6 75 75 A D S S- 0 0 101 1,-0.0 2,-1.8 0, 0.0 -1,-0.8 -0.264 116.4 -10.2-126.9-155.6 9.6 -23.6 -6.9 76 76 A W S S+ 0 0 245 -2,-0.1 2,-0.3 -3,-0.1 -4,-0.0 -0.208 105.0 83.0 -63.2 77.3 8.8 -21.8 -3.6 77 77 A A - 0 0 50 -2,-1.8 -4,-0.6 -6,-0.1 2,-0.3 -0.964 47.8-170.2-161.1 152.4 8.8 -18.2 -4.7 78 78 A S + 0 0 22 -2,-0.3 36,-0.8 -6,-0.1 2,-0.3 -0.881 12.5 171.0-149.5 129.2 6.3 -15.7 -6.2 79 79 A I E + K 0 113F 89 -8,-0.4 -8,-1.0 -2,-0.3 2,-0.2 -0.958 3.9 170.6-126.2 146.9 7.2 -12.3 -7.5 80 80 A Y E - K 0 112F 87 32,-1.2 32,-3.1 -2,-0.3 2,-0.3 -0.796 26.9-139.5-150.7 124.3 5.1 -9.8 -9.5 81 81 A G E + K 0 111F 51 30,-0.3 30,-0.3 -2,-0.2 2,-0.2 -0.615 36.4 179.9 -68.1 139.3 6.0 -6.2 -10.3 82 82 A V E - 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