==== 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 04-FEB-08 2K0L . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR M.RENAULT,O.SAUREL,V.GERVAIS,F.LOHR,V.REAT,M.PIOTTO,A.MILON . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 49.0 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 . 75 35.7 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 0.5 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 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 0 0 0 0 1 1 2 1 1 0 1 0 1 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 A 0 0 158 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.2 34.9 13.1 -8.7 2 2 A R + 0 0 221 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.764 360.0 141.7-140.0 91.3 36.5 10.5 -10.8 3 3 A I - 0 0 131 -2,-0.3 2,-0.2 2,-0.0 0, 0.0 -0.994 52.1-107.6-134.8 138.8 34.6 7.2 -11.3 4 4 A M + 0 0 137 -2,-0.4 -2,-0.0 1,-0.1 4,-0.0 -0.412 37.9 169.7 -64.6 131.1 34.1 4.9 -14.3 5 5 A K + 0 0 182 -2,-0.2 -1,-0.1 2,-0.1 4,-0.1 -0.467 39.9 98.1-143.8 66.4 30.7 5.1 -15.8 6 6 A A S S- 0 0 71 2,-0.0 3,-0.1 -2,-0.0 -2,-0.0 0.717 103.8 -34.3-113.5 -73.5 30.6 3.3 -19.1 7 7 A I S S+ 0 0 142 1,-0.1 2,-0.4 7,-0.0 -2,-0.1 -0.001 104.9 101.4-147.0 30.6 29.2 -0.3 -18.9 8 8 A F + 0 0 145 5,-0.0 2,-0.4 -4,-0.0 -1,-0.1 -0.634 45.7 173.5-120.5 72.6 30.3 -1.5 -15.4 9 9 A V + 0 0 86 -2,-0.4 -4,-0.1 1,-0.2 4,-0.0 -0.664 12.6 167.2 -83.9 130.7 27.3 -1.2 -13.1 10 10 A L S S+ 0 0 162 -2,-0.4 -1,-0.2 3,-0.1 3,-0.2 0.680 75.0 52.4-110.7 -31.3 27.7 -2.6 -9.6 11 11 A N S S- 0 0 147 1,-0.3 2,-0.3 2,-0.0 -2,-0.1 0.947 126.7 -2.7 -71.4 -50.7 24.7 -1.2 -7.9 12 12 A A S S- 0 0 67 4,-0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.996 74.7-114.8-147.5 139.4 22.1 -2.3 -10.5 13 13 A A - 0 0 72 -2,-0.3 2,-2.9 -3,-0.2 -3,-0.1 -0.103 51.0 -82.6 -64.8 168.2 22.3 -4.2 -13.8 14 14 A P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.308 99.3 98.1 -72.4 61.0 21.3 -2.5 -17.1 15 15 A K - 0 0 155 -2,-2.9 2,-0.4 2,-0.0 -2,-0.1 -0.948 63.7-150.1-153.2 128.2 17.6 -3.3 -16.6 16 16 A D + 0 0 97 -2,-0.3 2,-0.8 46,-0.2 -4,-0.0 -0.168 61.6 120.5 -89.3 41.1 14.8 -1.1 -15.2 17 17 A N + 0 0 113 -2,-0.4 2,-0.2 43,-0.1 45,-0.1 -0.713 35.2 151.6-108.1 80.8 13.0 -4.2 -13.8 18 18 A T - 0 0 73 -2,-0.8 43,-1.3 43,-0.3 2,-0.3 -0.693 26.0-160.6-108.0 161.8 12.7 -3.5 -10.1 19 19 A W E +A 60 0A 110 -2,-0.2 173,-2.8 41,-0.2 2,-0.4 -0.979 9.8 175.7-146.6 129.9 10.1 -4.6 -7.5 20 20 A Y E -AB 59 191A 39 39,-2.6 39,-2.9 -2,-0.3 2,-0.3 -0.997 4.5-173.4-136.9 139.6 9.2 -3.3 -4.1 21 21 A A E +AB 58 190A 20 169,-2.4 169,-3.2 -2,-0.4 2,-0.3 -0.964 17.8 133.1-133.1 149.5 6.5 -4.3 -1.6 22 22 A G E -AB 57 189A 19 35,-3.0 35,-1.8 -2,-0.3 2,-0.3 -0.893 38.1-108.0-166.8-164.4 5.3 -2.8 1.7 23 23 A G E -AB 56 188A 27 165,-2.3 165,-2.1 33,-0.3 2,-0.3 -0.985 16.4-161.1-152.2 138.6 2.4 -1.8 3.8 24 24 A K E -AB 55 187A 26 31,-3.6 31,-2.1 -2,-0.3 2,-0.4 -0.887 5.3-157.4-120.2 150.9 0.8 1.4 5.1 25 25 A L E +AB 54 186A 69 161,-3.5 161,-2.4 -2,-0.3 2,-0.2 -0.980 38.7 92.3-129.3 139.7 -1.6 2.1 7.9 26 26 A G E S-AB 53 185A 12 27,-2.3 27,-2.6 -2,-0.4 2,-0.4 -0.830 71.6 -28.3 179.8-139.4 -4.0 5.1 8.4 27 27 A W + 0 0 114 157,-1.1 157,-0.1 -2,-0.2 3,-0.1 -0.915 36.0 176.8-112.4 133.9 -7.6 6.1 7.7 28 28 A S S S+ 0 0 48 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.849 70.8 13.0 -97.8 -48.7 -9.7 4.8 4.9 29 29 A Q + 0 0 155 47,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.909 63.4 156.7-130.5 158.1 -13.0 6.5 5.5 30 30 A Y - 0 0 158 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.0 -0.893 33.8-122.5-176.7 146.2 -14.3 9.3 7.7 31 31 A H + 0 0 140 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.866 49.4 129.9-102.8 126.5 -17.2 11.8 7.9 32 32 A D + 0 0 106 -2,-0.5 2,-0.2 1,-0.4 -1,-0.2 0.519 61.3 51.9-137.3 -47.6 -16.3 15.5 8.0 33 33 A T S S+ 0 0 108 2,-0.0 -1,-0.4 0, 0.0 2,-0.0 -0.653 88.1 39.0 -99.0 156.0 -18.4 17.4 5.4 34 34 A G - 0 0 46 -2,-0.2 2,-0.2 -3,-0.1 -3,-0.0 0.099 59.9-145.0 89.7 154.9 -22.1 17.3 5.0 35 35 A F - 0 0 193 2,-0.0 2,-0.3 -2,-0.0 -2,-0.0 -0.833 4.0-129.2-144.7-178.6 -25.0 17.1 7.4 36 36 A Y - 0 0 197 -2,-0.2 -2,-0.0 2,-0.1 5,-0.0 -0.973 14.2-135.2-139.8 153.2 -28.5 15.7 8.0 37 37 A G + 0 0 84 -2,-0.3 2,-0.4 3,-0.0 3,-0.1 -0.169 66.3 118.5-100.2 40.1 -31.9 17.0 9.0 38 38 A N - 0 0 99 1,-0.1 -2,-0.1 2,-0.1 0, 0.0 -0.868 62.8-140.0-109.2 140.2 -32.6 14.1 11.5 39 39 A G S S+ 0 0 78 -2,-0.4 2,-0.9 1,-0.1 -1,-0.1 0.895 90.2 73.5 -61.8 -41.5 -33.2 14.6 15.2 40 40 A F + 0 0 188 1,-0.2 3,-0.2 -3,-0.1 -1,-0.1 -0.662 53.9 146.8 -80.0 105.9 -31.2 11.4 16.0 41 41 A Q + 0 0 169 -2,-0.9 2,-0.8 1,-0.2 -1,-0.2 0.848 68.2 25.0-101.7 -65.5 -27.5 12.3 15.5 42 42 A N + 0 0 130 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.842 58.3 172.0-109.1 96.9 -25.4 10.4 18.0 43 43 A N S S+ 0 0 129 -2,-0.8 2,-0.4 1,-0.2 -1,-0.2 0.866 75.1 24.7 -69.1 -37.1 -27.2 7.2 19.1 44 44 A N - 0 0 109 2,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.976 58.3-168.4-132.0 144.4 -24.2 6.0 21.0 45 45 A G + 0 0 62 -2,-0.4 -3,-0.0 -3,-0.1 -2,-0.0 -0.492 20.5 177.0-130.4 65.4 -21.2 7.8 22.5 46 46 A P - 0 0 93 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.240 33.7-125.2 -53.5-173.4 -18.5 5.2 23.4 47 47 A T S S+ 0 0 141 1,-0.1 2,-0.4 0, 0.0 -2,-0.0 0.016 83.5 77.6-128.4 25.7 -15.1 6.2 24.9 48 48 A R - 0 0 205 2,-0.0 2,-0.8 0, 0.0 -1,-0.1 -0.914 50.1-171.5-142.3 112.0 -12.8 4.4 22.4 49 49 A N + 0 0 133 -2,-0.4 2,-1.6 -3,-0.1 0, 0.0 -0.440 19.9 168.1 -98.8 58.6 -12.1 5.7 18.9 50 50 A D + 0 0 88 -2,-0.8 2,-0.5 28,-0.1 28,-0.1 -0.560 11.6 151.4 -75.7 88.9 -10.2 2.6 17.7 51 51 A Q + 0 0 76 -2,-1.6 2,-0.4 26,-0.1 26,-0.1 -0.848 7.3 148.1-125.7 95.2 -10.0 3.4 13.9 52 52 A L - 0 0 81 -2,-0.5 2,-0.5 24,-0.1 -25,-0.2 -0.986 23.8-164.9-132.2 124.9 -7.0 1.9 12.2 53 53 A G E -A 26 0A 5 -27,-2.6 -27,-2.3 -2,-0.4 2,-0.3 -0.920 7.8-150.6-113.0 132.1 -6.9 0.7 8.6 54 54 A A E -AC 25 74A 23 20,-2.1 20,-2.6 -2,-0.5 2,-0.3 -0.757 14.2-178.0-100.0 144.5 -4.2 -1.6 7.1 55 55 A G E -AC 24 73A 7 -31,-2.1 -31,-3.6 -2,-0.3 2,-0.5 -0.939 16.0-151.6-147.7 123.0 -3.1 -1.5 3.5 56 56 A A E -AC 23 72A 40 16,-2.0 16,-1.6 -2,-0.3 2,-0.4 -0.803 18.5-167.1 -94.9 125.7 -0.6 -3.6 1.6 57 57 A F E -AC 22 71A 11 -35,-1.8 -35,-3.0 -2,-0.5 2,-0.4 -0.883 8.4-177.5-115.2 145.9 1.1 -1.9 -1.3 58 58 A G E -AC 21 70A 11 12,-1.7 12,-3.6 -2,-0.4 2,-0.4 -0.968 2.3-174.5-144.9 124.8 3.2 -3.4 -4.1 59 59 A G E +AC 20 69A 0 -39,-2.9 -39,-2.6 -2,-0.4 2,-0.3 -0.927 6.0 172.8-123.1 147.0 5.0 -1.7 -7.0 60 60 A Y E -AC 19 68A 46 8,-2.2 8,-2.4 -2,-0.4 2,-0.4 -0.939 18.5-146.7-153.5 126.0 6.9 -2.9 -10.0 61 61 A Q E + C 0 67A 52 -43,-1.3 -43,-0.3 -2,-0.3 6,-0.2 -0.767 18.4 171.8 -96.2 137.2 8.3 -1.1 -13.0 62 62 A V E + 0 0 77 4,-0.8 -46,-0.2 -2,-0.4 -1,-0.1 0.671 69.7 24.7-111.6 -30.3 8.4 -2.8 -16.4 63 63 A N E > S- C 0 66A 102 3,-0.8 2,-3.2 -46,-0.0 3,-1.1 -0.964 88.8 -97.9-137.4 153.6 9.5 0.1 -18.6 64 64 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -47,-0.0 -0.300 112.3 58.6 -68.3 63.6 11.4 3.4 -18.1 65 65 A Y T 3 S- 0 0 195 -2,-3.2 2,-0.3 1,-0.3 -4,-0.0 0.347 111.8 -20.7-154.4 -45.6 8.2 5.4 -17.9 66 66 A L E < -C 63 0A 89 -3,-1.1 -4,-0.8 34,-0.1 -3,-0.8 -0.980 52.2-130.3-168.8 163.7 6.0 4.1 -15.0 67 67 A G E -CD 61 99A 2 32,-2.6 32,-3.0 -2,-0.3 -6,-0.3 -0.910 24.7-110.0-127.2 155.1 5.3 1.2 -12.8 68 68 A F E -CD 60 98A 109 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.5 -0.592 27.5-157.4 -82.8 141.6 2.2 -0.8 -11.7 69 69 A E E -CD 59 97A 9 28,-3.7 28,-2.4 -2,-0.3 2,-0.5 -0.966 5.7-168.6-125.7 118.7 1.0 -0.5 -8.1 70 70 A M E -CD 58 96A 77 -12,-3.6 -12,-1.7 -2,-0.5 2,-0.2 -0.910 9.7-168.1-108.2 124.7 -1.1 -3.1 -6.5 71 71 A G E -CD 57 95A 1 24,-1.5 24,-3.6 -2,-0.5 2,-0.4 -0.702 11.0-150.8-109.9 163.1 -2.8 -2.4 -3.1 72 72 A Y E -CD 56 94A 114 -16,-1.6 -16,-2.0 22,-0.3 2,-0.7 -0.948 8.2-148.1-137.5 114.9 -4.6 -4.5 -0.6 73 73 A D E +CD 55 93A 59 20,-0.8 20,-2.6 -2,-0.4 2,-0.3 -0.724 33.0 157.2 -85.4 115.0 -7.4 -3.2 1.7 74 74 A W E +C 54 0A 169 -20,-2.6 -20,-2.1 -2,-0.7 18,-0.1 -0.985 40.9 6.0-139.2 148.8 -7.3 -4.9 5.1 75 75 A L + 0 0 95 -2,-0.3 -21,-0.2 -22,-0.2 -1,-0.1 0.342 52.3 139.5 61.9 157.9 -8.6 -4.1 8.6 76 76 A G + 0 0 41 1,-0.5 2,-0.3 -23,-0.2 -24,-0.1 0.121 53.1 74.8 160.5 -28.2 -10.7 -1.1 9.4 77 77 A R - 0 0 182 -26,-0.1 2,-0.7 2,-0.1 -1,-0.5 -0.835 67.3-135.1-112.2 149.6 -13.3 -2.2 11.9 78 78 A M + 0 0 123 -2,-0.3 2,-0.1 -28,-0.1 -28,-0.1 -0.875 55.2 115.1-107.2 104.9 -13.0 -2.9 15.6 79 79 A A + 0 0 45 -2,-0.7 -2,-0.1 1,-0.0 2,-0.1 -0.551 15.2 132.4-171.6 98.5 -14.9 -6.1 16.6 80 80 A Y + 0 0 224 -2,-0.1 2,-0.2 1,-0.1 -1,-0.0 -0.504 37.9 100.9-153.1 75.9 -13.2 -9.3 17.9 81 81 A K + 0 0 202 -2,-0.1 2,-0.3 3,-0.0 3,-0.1 -0.663 41.4 110.9-163.6 100.5 -14.9 -10.7 21.0 82 82 A G - 0 0 54 -2,-0.2 3,-0.2 1,-0.1 0, 0.0 -0.985 62.6-117.8-167.1 160.1 -17.3 -13.6 21.0 83 83 A S S S+ 0 0 128 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.936 102.2 8.3 -69.1 -48.1 -17.8 -17.3 22.0 84 84 A V S S+ 0 0 128 -3,-0.1 -1,-0.3 42,-0.1 2,-0.2 -0.988 70.8 179.5-141.0 128.8 -18.3 -18.5 18.5 85 85 A D - 0 0 107 -2,-0.4 2,-0.4 -3,-0.2 42,-0.1 -0.554 25.7-109.0-116.6-177.7 -17.8 -16.7 15.2 86 86 A N + 0 0 64 -2,-0.2 39,-0.1 40,-0.1 -2,-0.0 -0.897 26.9 170.6-117.8 146.6 -18.2 -17.5 11.5 87 87 A G + 0 0 66 -2,-0.4 3,-0.1 3,-0.0 -1,-0.1 -0.075 35.5 124.1-145.5 39.2 -15.5 -18.0 8.8 88 88 A A S S+ 0 0 75 1,-0.2 2,-0.4 35,-0.1 37,-0.1 0.986 80.2 22.7 -64.1 -61.0 -17.2 -19.4 5.8 89 89 A F S S- 0 0 123 34,-0.1 2,-0.4 35,-0.0 -1,-0.2 -0.882 74.3-144.4-112.6 142.5 -16.1 -16.7 3.3 90 90 A K - 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