==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 23-JUN-99 1QJ8 . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN X; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.VOGT,G.E.SCHULZ . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 86.5 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 . 112 75.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 13 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 0 0 0 1 0 0 0 0 2 0 2 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 1 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 60 0, 0.0 2,-0.3 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 145.1 39.1 18.6 28.6 2 2 A T E -A 31 0A 26 29,-2.1 29,-2.9 2,-0.0 2,-0.4 -0.961 360.0-146.5-137.9 163.3 39.9 15.8 31.1 3 3 A S E -A 30 0A 28 -2,-0.3 145,-2.9 27,-0.2 2,-0.5 -0.957 4.0-154.2-130.6 148.6 41.3 15.5 34.6 4 4 A T E -AB 29 147A 0 25,-2.6 25,-2.9 -2,-0.4 2,-0.5 -0.978 8.0-172.0-128.4 122.3 43.4 12.8 36.2 5 5 A V E +AB 28 146A 49 141,-2.2 141,-1.1 -2,-0.5 2,-0.3 -0.949 12.9 172.6-114.2 120.0 43.4 12.2 39.8 6 6 A T E +AB 27 145A 3 21,-2.3 21,-2.0 -2,-0.5 2,-0.3 -0.936 7.7 177.0-126.8 159.4 45.9 9.8 41.3 7 7 A G E +AB 26 144A 21 137,-2.5 137,-2.4 -2,-0.3 2,-0.3 -0.998 14.6 129.0-157.1 150.6 47.0 8.7 44.7 8 8 A G E -AB 25 143A 24 17,-1.9 17,-1.8 -2,-0.3 135,-0.2 -0.990 52.5 -40.1-177.5-175.1 49.4 6.3 46.3 9 9 A Y E -AB 24 142A 102 133,-0.9 133,-1.9 -2,-0.3 2,-0.3 -0.383 44.4-167.2 -68.7 138.4 52.2 5.4 48.7 10 10 A A E -AB 23 141A 0 13,-1.3 13,-2.5 131,-0.2 2,-0.4 -0.991 1.2-168.1-123.4 144.7 55.1 7.9 49.1 11 11 A Q E -AB 22 140A 39 129,-2.4 129,-2.6 -2,-0.3 2,-0.3 -0.986 4.3-161.4-143.7 123.3 58.4 7.1 50.8 12 12 A S E -AB 21 139A 1 9,-2.9 9,-1.9 -2,-0.4 2,-0.3 -0.747 9.3-178.8-103.9 152.1 61.1 9.5 51.8 13 13 A D E - B 0 138A 55 125,-2.3 125,-3.2 -2,-0.3 2,-0.4 -0.982 11.5-156.0-148.5 130.9 64.7 9.1 52.7 14 14 A A E > -AB 18 137A 10 4,-1.4 4,-0.7 -2,-0.3 123,-0.2 -0.910 28.2-107.8-110.2 151.1 67.1 11.9 53.7 15 15 A Q T 4 S+ 0 0 116 121,-1.7 121,-0.1 -2,-0.4 -1,-0.0 -0.286 97.6 51.0 -60.2 165.4 70.9 11.9 53.4 16 16 A G T 4 S- 0 0 62 1,-0.1 2,-1.8 119,-0.1 -2,-0.2 0.289 123.7 -55.8 77.3 139.5 72.2 11.6 56.9 17 17 A Q T 4 S+ 0 0 223 1,-0.1 2,-0.4 -4,-0.1 -1,-0.1 -0.286 87.7 129.6 -60.6 85.6 70.8 8.7 59.0 18 18 A M E < -A 14 0A 56 -2,-1.8 -4,-1.4 -4,-0.7 3,-0.1 -0.833 52.4-144.9-137.1 79.4 67.1 9.5 58.8 19 19 A N E - 0 0 98 -2,-0.4 -5,-0.1 -6,-0.1 -7,-0.1 0.215 38.6 -48.4 -47.3 175.1 65.6 6.1 57.7 20 20 A K E - 0 0 89 -7,-0.1 2,-0.4 -9,-0.1 -7,-0.2 -0.065 53.7-162.4 -44.7 143.8 62.7 5.5 55.4 21 21 A M E -A 12 0A 14 -9,-1.9 -9,-2.9 -3,-0.1 27,-0.2 -0.983 9.2-145.9-141.5 115.6 59.6 7.6 56.2 22 22 A G E +AC 11 47A 28 25,-0.7 25,-2.0 -2,-0.4 2,-0.2 -0.521 35.1 118.3 -91.1 155.2 56.2 6.5 54.7 23 23 A G E -AC 10 46A 21 -13,-2.5 -13,-1.3 23,-0.2 2,-0.3 -0.788 47.7 -84.2-171.5-138.6 53.3 8.6 53.5 24 24 A F E -AC 9 45A 84 21,-2.3 21,-2.2 -15,-0.3 2,-0.3 -0.916 18.0-150.7-153.8 167.8 51.2 9.3 50.6 25 25 A N E -AC 8 44A 0 -17,-1.8 -17,-1.9 -2,-0.3 2,-0.4 -0.993 6.5-168.3-141.6 147.9 51.0 11.5 47.5 26 26 A L E -AC 7 43A 60 17,-2.4 17,-3.0 -2,-0.3 2,-0.4 -0.991 7.3-171.1-132.9 140.6 48.0 12.9 45.5 27 27 A K E -AC 6 42A 2 -21,-2.0 -21,-2.3 -2,-0.4 2,-0.5 -0.975 10.5-161.1-134.0 144.6 48.2 14.6 42.1 28 28 A Y E -AC 5 41A 130 13,-2.3 13,-2.8 -2,-0.4 2,-0.4 -0.980 16.4-175.0-123.8 120.4 45.6 16.4 40.1 29 29 A R E -AC 4 40A 6 -25,-2.9 -25,-2.6 -2,-0.5 2,-0.4 -0.917 7.8-161.0-117.7 147.7 46.3 16.8 36.5 30 30 A Y E +AC 3 39A 118 9,-2.8 9,-1.9 -2,-0.4 2,-0.3 -0.968 9.5 180.0-128.2 136.7 44.4 18.7 33.8 31 31 A E E -A 2 0A 7 -29,-2.9 -29,-2.1 -2,-0.4 2,-0.3 -0.966 22.5-134.9-131.3 155.7 44.5 18.3 30.1 32 32 A E > - 0 0 102 3,-0.4 3,-0.9 5,-0.4 -2,-0.0 -0.751 25.2-124.9-100.0 155.6 42.8 19.9 27.1 33 33 A D T 3 S+ 0 0 118 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.744 105.9 44.1 -72.2 -25.2 41.4 17.6 24.4 34 34 A N T 3 S+ 0 0 132 3,-0.1 -1,-0.2 1,-0.0 3,-0.0 -0.119 105.4 53.9-118.5 43.7 43.4 19.5 21.8 35 35 A S < - 0 0 41 -3,-0.9 -3,-0.4 1,-0.0 37,-0.0 -0.905 63.9-140.1-158.2 146.7 46.9 20.1 23.1 36 36 A P S S+ 0 0 59 0, 0.0 36,-2.6 0, 0.0 2,-0.5 0.515 82.6 89.3 -79.9 -11.5 49.5 17.7 24.5 37 37 A L E + D 0 71A 96 34,-0.2 -5,-0.4 32,-0.1 2,-0.2 -0.792 50.6 139.0 -97.7 130.2 50.4 20.4 27.1 38 38 A G E - D 0 70A 13 32,-2.8 32,-2.0 -2,-0.5 2,-0.3 -0.682 41.3 -98.9-143.9-162.8 48.6 20.5 30.5 39 39 A V E -CD 30 69A 91 -9,-1.9 -9,-2.8 30,-0.3 2,-0.4 -0.933 20.9-166.6-134.0 153.1 49.3 21.0 34.1 40 40 A I E -CD 29 68A 3 28,-2.3 28,-2.0 -2,-0.3 2,-0.3 -1.000 3.1-162.6-143.7 136.5 49.7 18.9 37.2 41 41 A G E -CD 28 67A 23 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.4 -0.921 12.4-159.5-118.7 149.4 49.7 19.7 40.9 42 42 A S E -CD 27 66A 8 24,-3.2 24,-2.4 -2,-0.3 2,-0.4 -0.996 13.0-168.0-139.9 134.0 51.1 17.5 43.6 43 43 A F E -CD 26 65A 65 -17,-3.0 -17,-2.4 -2,-0.4 2,-0.4 -0.995 14.5-179.3-121.9 122.1 50.7 17.1 47.3 44 44 A T E +CD 25 64A 0 20,-2.7 20,-2.9 -2,-0.4 2,-0.3 -0.972 6.1 174.7-124.2 140.8 53.1 14.9 49.3 45 45 A Y E +CD 24 63A 42 -21,-2.2 -21,-2.3 -2,-0.4 2,-0.3 -0.988 4.5 167.1-146.0 126.1 53.2 14.1 53.0 46 46 A T E +CD 23 62A 0 16,-2.4 16,-3.4 -2,-0.3 2,-0.3 -0.965 4.8 171.1-132.4 159.4 55.5 11.7 54.8 47 47 A E E -CD 22 61A 61 -25,-2.0 -25,-0.7 -2,-0.3 2,-0.3 -0.990 13.0-172.0-161.3 159.5 56.3 11.1 58.4 48 48 A K E - D 0 60A 75 12,-2.1 12,-2.4 -2,-0.3 2,-0.3 -0.923 6.1-167.6-153.6 140.0 58.0 8.8 60.8 49 49 A S E - D 0 59A 60 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.929 5.3-173.2-131.1 150.9 58.0 8.7 64.6 50 50 A R E - D 0 58A 183 8,-2.3 8,-2.0 -2,-0.3 2,-0.5 -0.982 11.1-164.9-146.5 129.4 60.3 6.7 66.9 51 51 A T E - D 0 57A 96 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.976 18.8-149.8-117.6 118.8 60.4 6.1 70.7 52 52 A A > - 0 0 41 4,-1.8 3,-1.6 -2,-0.5 -2,-0.0 -0.260 28.6-110.0 -78.9 167.6 63.7 4.8 72.1 53 53 A S T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.904 120.3 64.2 -66.9 -30.7 64.1 2.5 75.2 54 54 A S T 3 S- 0 0 75 1,-0.1 -1,-0.3 41,-0.0 3,-0.1 0.628 121.6-110.1 -62.6 -17.0 65.6 5.6 76.9 55 55 A G S < S+ 0 0 21 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.182 73.0 140.4 103.0 -16.7 62.2 7.3 76.5 56 56 A D - 0 0 51 39,-0.1 -4,-1.8 -5,-0.1 -1,-0.3 -0.135 34.0-161.4 -58.9 151.8 63.4 9.7 73.9 57 57 A Y E -DE 51 93A 65 36,-1.6 36,-2.6 -6,-0.2 2,-0.3 -0.992 11.5-172.8-144.8 140.1 61.0 10.4 71.0 58 58 A N E -DE 50 92A 58 -8,-2.0 -8,-2.3 -2,-0.3 2,-0.3 -0.961 2.5-176.1-134.0 146.3 61.3 11.8 67.6 59 59 A K E -DE 49 91A 54 32,-1.9 32,-3.6 -2,-0.3 2,-0.4 -0.906 4.0-173.8-146.2 125.0 58.8 12.8 65.0 60 60 A N E -DE 48 90A 26 -12,-2.4 -12,-2.1 -2,-0.3 2,-0.4 -0.945 1.7-174.5-121.5 134.5 59.6 14.0 61.4 61 61 A Q E -DE 47 89A 25 28,-1.7 28,-2.0 -2,-0.4 2,-0.4 -0.998 3.6-167.2-130.5 138.2 57.0 15.3 59.0 62 62 A Y E -DE 46 88A 4 -16,-3.4 -16,-2.4 -2,-0.4 2,-0.4 -0.980 3.8-175.3-129.2 132.4 57.6 16.2 55.4 63 63 A Y E -DE 45 87A 74 24,-2.3 24,-2.3 -2,-0.4 2,-0.4 -0.994 1.8-171.6-123.6 133.3 55.2 18.1 53.1 64 64 A G E -DE 44 86A 0 -20,-2.9 -20,-2.7 -2,-0.4 2,-0.5 -0.981 5.2-177.4-129.9 126.5 55.8 18.8 49.5 65 65 A I E +DE 43 85A 94 20,-2.6 20,-2.6 -2,-0.4 2,-0.3 -0.978 24.4 154.6-120.6 107.2 53.5 21.2 47.4 66 66 A T E +DE 42 84A 7 -24,-2.4 -24,-3.2 -2,-0.5 2,-0.3 -0.922 18.9 177.3-134.1 162.2 54.5 21.3 43.8 67 67 A A E +DE 41 83A 51 16,-2.3 16,-2.2 -2,-0.3 -26,-0.2 -0.978 13.9 135.7-159.9 159.9 53.2 22.0 40.3 68 68 A G E -D 40 0A 18 -28,-2.0 -28,-2.3 -2,-0.3 14,-0.2 -0.980 50.9 -42.9 178.1-172.3 54.4 22.2 36.7 69 69 A P E -D 39 0A 81 0, 0.0 12,-1.8 0, 0.0 2,-0.4 -0.466 41.1-159.6 -78.4 147.8 53.8 21.3 33.1 70 70 A A E -DF 38 80A 0 -32,-2.0 -32,-2.8 10,-0.2 2,-0.5 -0.984 5.3-158.2-128.4 135.9 52.7 17.8 32.0 71 71 A Y E -DF 37 79A 117 8,-3.5 8,-2.5 -2,-0.4 2,-0.6 -0.983 11.0-142.1-120.7 127.2 53.2 16.6 28.4 72 72 A R E - 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G 0 110A 9 28,-2.6 28,-2.7 -2,-0.4 2,-0.3 -0.945 9.3-174.3-133.8 156.7 57.2 20.1 39.0 83 83 A V E +EG 67 109A 86 -16,-2.2 -16,-2.3 -2,-0.3 2,-0.3 -0.965 29.7 100.5-142.0 156.3 58.5 22.8 41.2 84 84 A G E -EG 66 108A 21 24,-2.2 24,-2.3 -2,-0.3 2,-0.4 -0.906 61.5 -34.4 166.1-143.1 57.4 24.3 44.5 85 85 A V E -EG 65 107A 77 -20,-2.6 -20,-2.6 -2,-0.3 2,-0.3 -0.946 32.5-160.0-120.6 148.1 58.0 24.2 48.2 86 86 A G E -EG 64 106A 0 20,-2.8 20,-2.9 -2,-0.4 2,-0.4 -0.835 9.7-162.9-122.8 144.8 58.9 21.6 50.7 87 87 A Y E -EG 63 105A 49 -24,-2.3 -24,-2.3 -2,-0.3 2,-0.4 -0.991 2.2-167.4-129.9 133.5 58.3 22.0 54.5 88 88 A G E -EG 62 104A 17 16,-2.7 16,-1.8 -2,-0.4 2,-0.4 -0.931 4.4-172.0-126.0 138.1 59.9 19.9 57.2 89 89 A K E -EG 61 103A 71 -28,-2.0 -28,-1.7 -2,-0.4 2,-0.5 -0.974 8.5-171.8-127.3 114.9 58.8 19.8 60.9 90 90 A F E -EG 60 102A 78 12,-3.2 12,-3.1 -2,-0.4 2,-0.4 -0.967 0.7-171.3-117.4 115.3 61.1 17.9 63.2 91 91 A Q E +EG 59 101A 43 -32,-3.6 -32,-1.9 -2,-0.5 2,-0.4 -0.904 5.4 177.7-107.0 133.2 60.1 17.2 66.8 92 92 A T E -EG 58 100A 39 8,-2.3 8,-2.4 -2,-0.4 2,-0.4 -0.997 10.4-170.0-138.4 137.6 62.3 15.8 69.5 93 93 A T E -EG 57 99A 22 -36,-2.6 -36,-1.6 -2,-0.4 2,-0.8 -0.954 10.9-155.5-127.5 118.5 61.8 15.1 73.1 94 94 A E E > - 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