==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 20-NOV-06 2JMM . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.U.JOHANSSON,S.ALIOTH,K.HU,R.WALSER,R.KOEBNIK,K.PERVUSHIN . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 84.0 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 . 80 51.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 46 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0 0 0 1 0 0 1 3 3 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 0 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 1 A M 0 0 185 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.3 -0.7 -22.5 -3.3 2 2 A P + 0 0 43 0, 0.0 2,-0.3 0, 0.0 148,-0.1 0.225 360.0 90.1 -78.5 31.8 -1.2 -18.6 -2.9 3 3 A K + 0 0 116 1,-0.2 31,-0.1 2,-0.1 4,-0.1 -0.866 64.1 35.0-132.3 147.0 2.5 -18.2 -4.0 4 4 A D S S+ 0 0 73 29,-0.3 30,-0.3 -2,-0.3 31,-0.2 0.971 125.7 0.9 72.2 99.2 4.3 -17.7 -7.4 5 5 A N S S+ 0 0 104 28,-0.9 2,-0.3 1,-0.2 29,-0.3 0.838 101.9 142.8 59.7 48.3 2.4 -15.6 -10.0 6 6 A T E -A 33 0A 6 27,-2.4 27,-3.4 -4,-0.1 -1,-0.2 -0.747 50.7-104.3-116.3 158.8 -0.5 -15.0 -7.5 7 7 A W E -A 32 0A 82 -2,-0.3 143,-3.0 25,-0.2 2,-0.5 -0.553 18.4-158.2 -94.2 140.4 -2.7 -12.0 -6.8 8 8 A Y E +AB 31 149A 0 23,-3.0 23,-2.0 -2,-0.2 2,-0.4 -0.985 19.2 167.1-115.3 105.9 -2.5 -9.7 -3.7 9 9 A T E +AB 30 148A 51 139,-2.3 139,-3.0 -2,-0.5 2,-0.3 -0.932 16.4 149.0-124.3 118.2 -5.8 -7.8 -3.0 10 10 A G E -AB 29 147A 13 19,-3.0 19,-2.7 -2,-0.4 2,-0.4 -0.920 36.5-138.6-147.6 161.8 -6.0 -6.0 0.4 11 11 A A E +AB 28 146A 64 135,-2.7 135,-2.4 -2,-0.3 2,-0.3 -0.982 28.6 163.5-126.7 133.7 -7.5 -3.1 2.4 12 12 A K E -AB 27 145A 10 15,-2.7 15,-3.0 -2,-0.4 2,-0.4 -0.993 25.6-142.2-151.7 150.8 -5.6 -1.0 5.0 13 13 A L E -AB 26 144A 80 131,-3.1 131,-3.2 -2,-0.3 2,-0.3 -0.961 20.1-171.5-120.7 133.5 -5.8 2.3 6.9 14 14 A G E -AB 25 143A 0 11,-0.9 11,-2.4 -2,-0.4 2,-0.4 -0.906 13.0-155.7-124.6 151.1 -2.8 4.6 7.8 15 15 A W E - B 0 142A 101 127,-1.9 127,-3.0 -2,-0.3 2,-0.3 -0.991 18.1-142.4-126.1 140.8 -2.0 7.6 9.9 16 16 A S E > - B 0 141A 38 -2,-0.4 3,-1.3 7,-0.3 125,-0.2 -0.756 23.7 -97.3-113.2 144.3 0.9 10.0 9.4 17 17 A Q T 3 S- 0 0 102 123,-2.8 -1,-0.1 -2,-0.3 124,-0.0 -0.342 104.8 -4.9 -54.5 120.5 3.2 12.0 11.6 18 18 A Y T 3 S- 0 0 168 1,-0.2 2,-1.7 -2,-0.1 -1,-0.3 0.799 78.4-173.3 58.9 41.6 2.1 15.6 12.1 19 19 A S < + 0 0 63 -3,-1.3 -1,-0.2 1,-0.2 4,-0.2 -0.460 15.8 165.6 -67.2 80.6 -0.9 15.4 9.7 20 20 A R + 0 0 193 -2,-1.7 2,-0.3 2,-0.1 -1,-0.2 0.815 59.4 73.3 -61.7 -37.3 -2.0 19.1 9.6 21 21 A E S S- 0 0 153 -3,-0.2 2,-1.2 1,-0.1 0, 0.0 -0.620 99.6-105.7 -82.7 142.0 -4.2 18.4 6.5 22 22 A N S S+ 0 0 136 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.590 71.5 132.7 -70.3 87.1 -7.4 16.4 6.8 23 23 A Q - 0 0 67 -2,-1.2 2,-0.4 -4,-0.2 -7,-0.3 -0.957 36.2-169.1-143.2 129.5 -6.2 13.2 5.3 24 24 A L - 0 0 91 -2,-0.3 2,-2.6 -9,-0.1 -9,-0.2 -1.000 31.6-122.8-119.1 132.6 -6.6 9.6 6.5 25 25 A G E +A 14 0A 9 -11,-2.4 2,-1.1 -2,-0.4 -11,-0.9 -0.259 47.1 159.7 -72.7 46.5 -4.5 6.8 4.7 26 26 A A E +A 13 0A 62 -2,-2.6 20,-0.4 -13,-0.3 2,-0.4 -0.706 22.7 170.2 -72.7 93.0 -7.6 4.7 3.7 27 27 A G E -A 12 0A 6 -15,-3.0 -15,-2.7 -2,-1.1 2,-0.6 -0.960 37.1-147.2-119.3 139.6 -5.9 2.7 1.0 28 28 A A E -AC 11 44A 52 16,-3.0 16,-3.3 -2,-0.4 2,-0.6 -0.893 22.9-155.0-102.5 121.2 -6.8 -0.3 -1.1 29 29 A F E +AC 10 43A 12 -19,-2.7 -19,-3.0 -2,-0.6 2,-0.3 -0.889 20.0 167.3-111.9 113.4 -3.6 -2.2 -1.9 30 30 A G E +AC 9 42A 24 12,-2.0 12,-2.6 -2,-0.6 2,-0.3 -0.816 16.3 102.6-125.0 146.5 -3.6 -4.4 -5.0 31 31 A G E -AC 8 41A 10 -23,-2.0 -23,-3.0 -2,-0.3 2,-0.3 -0.982 53.7 -73.5 173.3-154.5 -0.8 -6.2 -6.9 32 32 A Y E -AC 7 40A 86 8,-1.5 8,-2.8 -2,-0.3 2,-0.6 -0.967 14.1-150.1-141.1 141.8 1.0 -9.4 -7.7 33 33 A Q E +A 6 0A 22 -27,-3.4 -27,-2.4 -2,-0.3 -28,-0.9 -0.905 23.1 166.3-117.0 98.1 3.4 -11.9 -5.9 34 34 A V + 0 0 33 -2,-0.6 5,-0.2 4,-0.4 -1,-0.2 0.902 61.8 13.8 -79.7 -38.7 5.6 -13.6 -8.5 35 35 A N S S- 0 0 77 3,-1.6 2,-2.5 -31,-0.2 29,-0.3 -0.915 76.9-103.9-140.0 154.2 8.3 -15.2 -6.3 36 36 A P S S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.471 121.8 38.0 -73.4 66.6 9.1 -16.1 -2.6 37 37 A Y S S+ 0 0 148 -2,-2.5 27,-2.1 25,-0.1 2,-0.3 -0.265 118.5 22.7-175.4 -79.0 11.5 -13.0 -2.8 38 38 A V E + D 0 63A 69 25,-0.2 -3,-1.6 -2,-0.0 -4,-0.4 -0.841 55.8 152.6-122.6 145.2 10.0 -10.1 -4.8 39 39 A G E - D 0 62A 0 23,-2.6 23,-2.9 -2,-0.3 2,-0.4 -0.907 38.8 -99.5-149.4-180.0 6.5 -8.9 -5.9 40 40 A F E -CD 32 61A 124 -8,-2.8 -8,-1.5 -2,-0.3 2,-0.4 -0.899 28.9-172.6-120.8 133.6 4.7 -5.7 -6.8 41 41 A E E -CD 31 60A 1 19,-3.1 19,-3.1 -2,-0.4 2,-0.4 -0.975 3.4-174.1-129.5 128.8 2.4 -3.6 -4.6 42 42 A M E -CD 30 59A 102 -12,-2.6 -12,-2.0 -2,-0.4 2,-0.5 -0.994 9.1-156.5-123.2 139.3 0.1 -0.6 -5.4 43 43 A G E -CD 29 58A 4 15,-2.5 15,-2.8 -2,-0.4 2,-0.6 -0.955 5.2-166.4-122.0 114.2 -1.9 1.4 -2.9 44 44 A Y E +CD 28 57A 86 -16,-3.3 -16,-3.0 -2,-0.5 2,-0.5 -0.884 9.0 175.9-107.0 109.5 -4.9 3.4 -4.1 45 45 A D E - D 0 56A 26 11,-2.7 11,-3.3 -2,-0.6 2,-0.5 -0.978 8.5-169.4-113.7 118.4 -6.3 6.1 -1.7 46 46 A W E - D 0 55A 125 -2,-0.5 2,-1.9 -20,-0.4 9,-0.2 -0.934 19.3-143.7-114.8 119.2 -9.2 8.1 -3.0 47 47 A L E + D 0 54A 55 7,-2.8 2,-2.2 -2,-0.5 7,-0.6 -0.532 22.9 177.1 -81.7 75.2 -10.5 11.2 -1.2 48 48 A G + 0 0 59 -2,-1.9 -1,-0.1 1,-0.2 5,-0.1 -0.408 62.8 79.4 -74.0 55.9 -14.2 10.8 -1.9 49 49 A R S S+ 0 0 175 -2,-2.2 -1,-0.2 1,-0.4 4,-0.1 0.558 80.0 55.1-128.1 -70.6 -14.9 13.8 0.2 50 50 A M S S- 0 0 92 -3,-0.5 2,-0.7 2,-0.2 -1,-0.4 -0.526 96.4-107.0 -63.9 147.7 -14.1 17.0 -1.8 51 51 A P S S+ 0 0 113 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.131 97.9 85.2 -70.3 30.5 -16.0 17.2 -5.3 52 52 A R S S- 0 0 161 -2,-0.7 2,-2.1 -5,-0.3 -3,-0.3 -0.979 90.4-112.5-132.6 139.2 -12.6 16.4 -7.0 53 53 A K - 0 0 151 -2,-0.4 2,-1.5 -5,-0.1 32,-0.1 -0.477 35.8-175.1 -75.6 76.3 -11.1 13.0 -7.7 54 54 A A E -D 47 0A 31 -2,-2.1 -7,-2.8 -7,-0.6 2,-0.8 -0.653 7.4-178.0 -76.2 83.4 -8.2 13.2 -5.3 55 55 A Q E -D 46 0A 77 -2,-1.5 30,-2.5 -9,-0.2 2,-0.7 -0.890 8.2-173.7 -93.9 103.1 -6.5 9.9 -6.3 56 56 A G E +DE 45 84A 27 -11,-3.3 -11,-2.7 -2,-0.8 2,-0.4 -0.931 14.2 177.3-102.9 103.0 -3.4 9.4 -4.1 57 57 A V E -DE 44 83A 50 26,-3.0 26,-3.2 -2,-0.7 2,-0.4 -0.947 16.9-159.4-117.8 133.1 -1.7 6.2 -5.5 58 58 A Q E -DE 43 82A 16 -15,-2.8 -15,-2.5 -2,-0.4 2,-0.5 -0.903 1.7-161.3-109.7 139.5 1.6 4.6 -4.5 59 59 A L E +DE 42 81A 98 22,-3.1 22,-2.2 -2,-0.4 2,-0.3 -0.990 24.6 165.2-120.3 111.0 3.6 2.2 -6.7 60 60 A T E -DE 41 80A 8 -19,-3.1 -19,-3.1 -2,-0.5 2,-0.5 -0.975 34.9-136.0-131.3 146.7 6.0 0.0 -4.7 61 61 A A E -DE 40 79A 46 18,-3.1 18,-2.6 -2,-0.3 2,-0.4 -0.914 30.0-153.0-100.4 128.4 8.2 -3.1 -5.2 62 62 A K E -DE 39 78A 6 -23,-2.9 -23,-2.6 -2,-0.5 2,-0.7 -0.874 15.2-152.2-113.5 136.5 8.0 -5.5 -2.2 63 63 A L E -DE 38 77A 66 14,-2.5 14,-2.1 -2,-0.4 2,-0.9 -0.940 15.3-159.9-106.0 108.4 10.4 -8.1 -0.8 64 64 A G E + E 0 76A 24 -27,-2.1 12,-0.2 -2,-0.7 -2,-0.0 -0.818 20.9 172.5 -96.9 98.1 8.4 -10.8 0.9 65 65 A Y E - E 0 75A 96 10,-2.7 10,-2.4 -2,-0.9 -28,-0.1 -0.883 37.4-140.5-117.2 138.2 10.8 -12.5 3.3 66 66 A P > - 0 0 72 0, 0.0 3,-1.5 0, 0.0 7,-0.1 0.775 22.8-169.8 -64.2 -37.7 10.2 -15.2 6.0 67 67 A K T 3 - 0 0 141 1,-0.3 3,-0.2 7,-0.1 7,-0.1 0.683 67.6 -68.3 49.9 32.1 12.8 -13.7 8.5 68 68 A L T 3 - 0 0 153 1,-0.2 2,-2.2 3,-0.0 -1,-0.3 0.923 63.7-167.5 52.5 47.9 12.4 -16.9 10.7 69 69 A G <> - 0 0 30 -3,-1.5 2,-2.2 4,-0.5 4,-0.6 -0.441 10.3-155.9 -63.5 84.8 8.8 -16.1 11.8 70 70 A T T 4 S+ 0 0 127 -2,-2.2 -1,-0.1 1,-0.2 -3,-0.0 0.053 77.6 4.1 -67.9 28.4 8.9 -18.8 14.5 71 71 A D T 4 S- 0 0 161 -2,-2.2 -1,-0.2 2,-0.1 2,-0.2 0.039 139.4 -26.8-169.8 -68.2 5.1 -19.5 14.8 72 72 A D T 4 S+ 0 0 42 42,-0.0 2,-0.3 45,-0.0 -2,-0.1 -0.671 91.0 113.6-170.1 87.5 3.4 -17.4 12.0 73 73 A L < + 0 0 75 -4,-0.6 -4,-0.5 -2,-0.2 2,-0.3 -0.869 27.8 178.3-159.3 141.1 5.0 -14.2 10.8 74 74 A D E - F 0 113A 62 39,-2.2 39,-3.2 -2,-0.3 2,-0.3 -0.987 19.4-135.9-138.1 150.5 6.6 -12.8 7.6 75 75 A I E -EF 65 112A 49 -10,-2.4 -10,-2.7 -2,-0.3 2,-0.4 -0.783 12.6-169.6-108.7 140.1 8.1 -9.4 6.7 76 76 A Y E -EF 64 111A 1 35,-3.4 35,-3.0 -2,-0.3 2,-0.5 -0.998 4.5-163.1-125.7 128.7 7.6 -7.4 3.5 77 77 A T E -EF 63 110A 57 -14,-2.1 -14,-2.5 -2,-0.4 2,-0.5 -0.963 10.8-167.6-113.7 122.5 9.7 -4.4 2.6 78 78 A R E -EF 62 109A 0 31,-2.7 31,-3.0 -2,-0.5 2,-0.4 -0.924 6.7-178.3-120.7 123.3 8.3 -2.1 -0.1 79 79 A L E +EF 61 108A 101 -18,-2.6 -18,-3.1 -2,-0.5 2,-0.3 -0.943 32.3 80.1-122.9 136.8 10.1 0.7 -1.9 80 80 A G E -EF 60 107A 33 27,-2.3 27,-3.1 -2,-0.4 2,-0.3 -0.957 66.5 -48.8 171.4-143.2 8.8 3.1 -4.6 81 81 A G E -EF 59 106A 10 -22,-2.2 -22,-3.1 -2,-0.3 2,-0.5 -0.941 24.1-149.5-130.2 143.9 6.8 6.3 -5.1 82 82 A M E +E 58 0A 68 23,-0.9 2,-0.4 -2,-0.3 -24,-0.3 -0.975 23.7 176.6-116.1 120.2 3.5 7.9 -4.1 83 83 A V E -E 57 0A 25 -26,-3.2 -26,-3.0 -2,-0.5 2,-0.3 -0.967 16.2-150.9-123.7 140.8 1.9 10.2 -6.6 84 84 A W E S-E 56 0A 118 -2,-0.4 2,-1.9 19,-0.3 -28,-0.3 -0.866 74.9 -12.4-113.8 140.4 -1.5 12.1 -6.4 85 85 A R S S- 0 0 118 -30,-2.5 2,-2.3 -2,-0.3 -29,-0.1 0.005 75.4-142.6 68.2 -36.0 -3.6 13.1 -9.5 86 86 A A S S+ 0 0 63 -2,-1.9 16,-2.8 -31,-0.1 2,-0.3 -0.374 85.8 12.5 70.7 -54.1 -0.7 12.3 -12.0 87 87 A D B S-I 101 0B 83 -2,-2.3 14,-0.2 14,-0.3 2,-0.1 -0.865 84.4-151.2-149.8 105.7 -1.7 15.3 -14.1 88 88 A T - 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