==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 17-MAR-06 2GE4 . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.CIERPICKI,B.LIANG,L.K.TAMM,J.H.BUSHWELLER . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 56.5 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 . 79 44.6 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0.6 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 . 16 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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+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 1 1 0 1 2 1 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 0 A M 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.6 5.6 -28.2 0.6 2 1 A A - 0 0 83 1,-0.1 88,-0.0 0, 0.0 0, 0.0 -0.385 360.0-106.1 -74.0 152.1 4.3 -27.0 -2.7 3 2 A P - 0 0 88 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.066 31.5-122.1 -69.8 175.7 2.8 -23.4 -3.0 4 3 A K - 0 0 66 43,-0.1 2,-0.3 44,-0.1 3,-0.1 -0.743 20.1-164.3-118.7 167.5 -0.9 -22.6 -3.3 5 4 A D + 0 0 87 -2,-0.2 41,-0.2 1,-0.1 42,-0.2 -0.984 62.5 35.7-149.7 157.3 -3.0 -20.7 -5.8 6 5 A N S S+ 0 0 135 39,-1.0 2,-0.2 -2,-0.3 40,-0.2 0.898 87.4 127.1 66.2 41.6 -6.4 -19.1 -6.2 7 6 A T E -A 45 0A 15 38,-1.8 38,-2.9 -3,-0.1 2,-0.3 -0.741 48.9-133.8-123.9 171.7 -6.4 -18.0 -2.5 8 7 A W E -AB 44 171A 105 163,-0.9 163,-1.5 36,-0.3 2,-0.3 -0.832 15.6-174.5-125.4 164.2 -6.9 -14.7 -0.6 9 8 A Y E -AB 43 170A 12 34,-2.8 34,-2.7 -2,-0.3 2,-0.3 -0.988 3.4-169.0-155.2 156.6 -5.2 -12.8 2.2 10 9 A T E +AB 42 169A 80 159,-2.0 159,-3.3 -2,-0.3 32,-0.3 -0.994 19.8 131.8-149.1 150.5 -5.7 -9.7 4.4 11 10 A G E -AB 41 168A 17 30,-3.4 30,-2.4 -2,-0.3 2,-0.3 -0.912 41.9 -89.4-170.0-163.0 -3.6 -7.7 6.8 12 11 A A E -AB 40 167A 39 155,-1.9 155,-1.8 -2,-0.3 2,-0.3 -0.943 26.4-159.6-133.0 153.5 -2.4 -4.3 8.0 13 12 A K E -AB 39 166A 31 26,-2.2 26,-2.3 -2,-0.3 2,-0.3 -0.980 8.8-179.6-137.0 149.4 0.6 -2.2 7.2 14 13 A L E +AB 38 165A 102 151,-2.0 151,-2.6 -2,-0.3 2,-0.3 -0.954 18.0 150.0-149.2 124.3 2.5 0.7 8.9 15 14 A G E -AB 37 164A 3 22,-2.3 22,-3.8 -2,-0.3 2,-0.3 -0.920 34.2-120.0-148.2 174.2 5.6 2.5 7.5 16 15 A F E -AB 36 163A 69 147,-3.2 147,-2.6 -2,-0.3 2,-0.4 -0.913 18.4-155.1-121.4 147.5 7.5 5.8 7.4 17 16 A S E -AB 35 162A 16 18,-1.9 18,-2.6 -2,-0.3 3,-0.2 -0.947 14.8-144.3-124.2 143.6 8.4 8.1 4.5 18 17 A Q S S- 0 0 80 143,-0.6 2,-0.3 -2,-0.4 -1,-0.2 0.980 84.9 -4.7 -66.4 -58.5 11.2 10.5 4.1 19 18 A Y - 0 0 131 14,-0.1 -1,-0.3 15,-0.1 2,-0.1 -0.999 67.1-144.6-143.0 137.6 9.4 13.1 2.1 20 19 A H - 0 0 102 -2,-0.3 125,-0.0 -3,-0.2 0, 0.0 -0.458 25.0-117.8 -95.0 169.7 5.9 13.2 0.6 21 20 A D + 0 0 134 -2,-0.1 2,-0.1 2,-0.0 -1,-0.0 -0.123 62.9 143.6 -98.3 36.1 4.7 14.8 -2.7 22 21 A T - 0 0 72 1,-0.1 3,-0.1 2,-0.1 -2,-0.0 -0.349 40.6-158.7 -74.2 156.3 2.4 17.2 -0.9 23 22 A G S S+ 0 0 75 1,-0.2 2,-1.0 -2,-0.1 -1,-0.1 0.725 76.0 70.1-105.6 -30.9 1.8 20.7 -2.2 24 23 A F + 0 0 179 2,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.767 63.7 172.3 -94.2 97.2 0.6 22.5 0.9 25 24 A I + 0 0 99 -2,-1.0 3,-0.0 -3,-0.1 0, 0.0 -0.916 19.4 141.4-110.2 127.7 3.5 22.7 3.3 26 25 A N + 0 0 106 -2,-0.5 2,-0.3 0, 0.0 -1,-0.1 -0.032 46.5 92.8-153.3 35.8 3.3 24.8 6.5 27 26 A N - 0 0 147 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.976 58.1-148.4-135.9 148.8 5.2 22.7 9.1 28 27 A N - 0 0 168 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 0.798 53.8-117.0 -83.3 -31.6 8.8 22.7 10.4 29 28 A G - 0 0 44 1,-0.1 -1,-0.1 4,-0.0 4,-0.1 -0.055 10.0-100.7 107.8 149.9 8.8 19.0 11.1 30 29 A P S S- 0 0 117 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.919 104.1 -21.2 -70.7 -45.2 9.2 16.8 14.3 31 30 A T S S- 0 0 122 3,-0.2 0, 0.0 -3,-0.0 0, 0.0 0.560 109.4 -61.0-127.5 -72.0 12.8 15.9 13.7 32 31 A H S S- 0 0 144 2,-0.1 2,-0.2 -14,-0.0 -14,-0.0 0.310 102.3 -15.3-147.9 -68.3 14.1 16.2 10.1 33 32 A E S S+ 0 0 81 -4,-0.1 2,-0.2 -14,-0.0 -14,-0.1 -0.691 86.2 104.5-156.7 96.6 12.4 14.1 7.5 34 33 A N - 0 0 80 -2,-0.2 2,-0.5 2,-0.0 -16,-0.2 -0.661 33.5-172.1-177.2 116.1 10.2 11.1 8.4 35 34 A Q E -A 17 0A 134 -18,-2.6 -18,-1.9 -2,-0.2 2,-0.4 -0.955 15.5-148.4-120.3 115.8 6.4 10.7 8.5 36 35 A L E -A 16 0A 147 -2,-0.5 2,-0.3 -20,-0.3 -20,-0.3 -0.649 20.6-179.0 -84.0 133.8 4.9 7.5 10.0 37 36 A G E -A 15 0A 35 -22,-3.8 -22,-2.3 -2,-0.4 2,-0.3 -0.976 11.8-157.8-135.5 148.7 1.7 6.2 8.5 38 37 A A E +A 14 0A 68 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.857 22.7 138.8-123.2 158.4 -0.7 3.3 9.1 39 38 A G E -A 13 0A 10 -26,-2.3 -26,-2.2 -2,-0.3 2,-0.3 -0.974 38.0-103.0-173.9-174.7 -3.3 1.5 7.1 40 39 A A E +AC 12 56A 39 16,-2.6 16,-2.9 -2,-0.3 2,-0.3 -0.928 31.2 169.3-130.7 154.1 -4.9 -1.8 6.0 41 40 A F E -AC 11 55A 18 -30,-2.4 -30,-3.4 -2,-0.3 2,-0.3 -0.990 10.0-172.9-159.2 163.7 -4.6 -4.0 2.9 42 41 A G E -AC 10 54A 10 12,-3.0 12,-4.2 -2,-0.3 2,-0.3 -0.981 5.8-174.3-156.3 161.2 -5.5 -7.3 1.4 43 42 A G E -AC 9 53A 1 -34,-2.7 -34,-2.8 10,-0.3 2,-0.4 -0.990 19.9-127.3-158.0 165.1 -4.9 -9.4 -1.7 44 43 A Y E -AC 8 52A 130 8,-1.4 8,-3.9 -2,-0.3 2,-0.5 -0.959 20.1-138.2-120.2 134.9 -5.6 -12.6 -3.7 45 44 A Q E +AC 7 51A 30 -38,-2.9 -38,-1.8 -2,-0.4 -39,-1.0 -0.805 20.0 176.5 -95.1 125.8 -3.1 -15.1 -5.0 46 45 A V - 0 0 83 4,-1.3 5,-0.2 -2,-0.5 -1,-0.2 0.815 68.4 -16.0 -92.9 -38.4 -3.6 -16.4 -8.5 47 46 A N S S- 0 0 78 3,-2.3 -1,-0.3 -42,-0.2 3,-0.2 -0.908 80.3 -80.3-155.0 177.9 -0.5 -18.5 -8.8 48 47 A P S S+ 0 0 29 0, 0.0 37,-0.1 0, 0.0 3,-0.1 0.722 130.7 20.5 -60.1 -23.5 2.9 -19.1 -7.2 49 48 A Y S S+ 0 0 112 1,-0.2 2,-0.4 35,-0.1 36,-0.0 0.355 120.1 62.2-127.6 2.3 4.4 -16.1 -9.0 50 49 A V + 0 0 69 -3,-0.2 -3,-2.3 34,-0.1 -4,-1.3 -0.938 59.3 138.8-137.8 115.9 1.3 -14.1 -9.9 51 50 A G E -CD 45 83A 8 32,-2.5 32,-1.8 -2,-0.4 2,-0.3 -0.837 37.5-121.8-142.4 179.8 -1.1 -12.5 -7.5 52 51 A F E -CD 44 82A 98 -8,-3.9 -8,-1.4 30,-0.3 2,-0.3 -0.936 21.1-177.0-129.0 151.4 -3.2 -9.4 -6.7 53 52 A E E -CD 43 81A 1 28,-3.2 28,-2.6 -2,-0.3 2,-0.3 -0.984 4.5-172.1-152.0 138.5 -3.2 -7.0 -3.8 54 53 A M E +CD 42 80A 100 -12,-4.2 -12,-3.0 -2,-0.3 2,-0.3 -0.890 10.3 176.3-126.7 156.8 -5.2 -3.9 -2.7 55 54 A G E -CD 41 79A 8 24,-2.6 24,-2.2 -2,-0.3 2,-0.3 -0.997 13.2-170.1-159.4 159.8 -4.8 -1.4 0.1 56 55 A Y E -C 40 0A 91 -16,-2.9 -16,-2.6 -2,-0.3 2,-0.7 -0.981 28.8-118.7-154.5 140.5 -6.1 1.7 1.8 57 56 A D - 0 0 81 -2,-0.3 -18,-0.2 -18,-0.2 20,-0.1 -0.721 33.7-151.9 -85.0 112.2 -4.9 4.1 4.5 58 57 A F - 0 0 156 -2,-0.7 2,-0.3 1,-0.1 -20,-0.1 0.136 8.6-131.2 -67.2-170.0 -7.5 4.1 7.4 59 58 A L - 0 0 145 -20,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.997 9.7-155.3-149.8 147.8 -8.0 7.0 9.7 60 59 A G - 0 0 78 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.978 12.1-174.2-131.7 123.6 -8.3 7.6 13.5 61 60 A R - 0 0 224 -2,-0.4 3,-0.1 0, 0.0 -2,-0.0 -0.493 26.3-119.5-105.4 177.1 -10.1 10.4 15.2 62 61 A M - 0 0 134 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.842 14.5-168.5-123.0 94.0 -10.4 11.4 18.9 63 62 A P S S+ 0 0 121 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.766 83.7 71.1 -49.5 -27.1 -14.0 11.4 20.2 64 63 A Y S S+ 0 0 214 -3,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.553 84.6 81.9 -93.4 70.2 -12.6 13.3 23.2 65 64 A K - 0 0 141 -2,-1.3 2,-0.2 2,-0.0 -3,-0.1 -0.820 54.8-159.4-172.4 129.1 -11.9 16.6 21.6 66 65 A G + 0 0 89 -2,-0.2 2,-0.4 2,-0.1 -2,-0.0 -0.392 50.9 124.9-110.4 54.9 -13.9 19.7 20.6 67 66 A S - 0 0 84 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.929 66.7-108.6-117.0 138.3 -11.7 21.2 18.0 68 67 A V + 0 0 153 -2,-0.4 2,-0.4 1,-0.0 -2,-0.1 -0.471 46.2 166.1 -65.6 119.0 -12.7 22.1 14.4 69 68 A E + 0 0 159 -2,-0.4 2,-0.3 0, 0.0 -2,-0.0 -0.900 8.2 139.2-142.1 109.7 -11.1 19.7 12.0 70 69 A N + 0 0 116 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.894 13.3 152.9-142.0 170.8 -12.1 19.3 8.4 71 70 A G + 0 0 80 1,-0.6 2,-0.2 -2,-0.3 -1,-0.1 0.259 67.0 15.6-164.3 -48.4 -10.6 18.8 5.0 72 71 A A - 0 0 50 3,-0.1 -1,-0.6 33,-0.0 2,-0.4 -0.737 59.4-130.3-132.5-179.2 -12.9 17.1 2.5 73 72 A Y S S- 0 0 162 33,-0.4 33,-0.7 -2,-0.2 3,-0.1 -0.919 82.9 -20.5-143.0 113.2 -16.5 16.2 2.0 74 73 A K S S+ 0 0 183 -2,-0.4 2,-0.2 1,-0.2 33,-0.1 0.821 93.3 158.0 60.3 31.5 -17.8 12.7 1.1 75 74 A A - 0 0 38 30,-0.1 2,-0.3 31,-0.1 30,-0.2 -0.554 19.4-174.0 -87.9 153.0 -14.3 11.9 -0.3 76 75 A Q E - E 0 104A 150 28,-2.3 28,-2.7 -2,-0.2 2,-0.3 -0.970 7.0-172.0-144.3 158.0 -12.9 8.4 -0.7 77 76 A G E + E 0 103A 4 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.989 8.1 164.4-154.9 143.6 -9.6 6.7 -1.6 78 77 A V E - E 0 102A 65 24,-3.0 24,-3.1 -2,-0.3 2,-0.4 -0.986 21.9-138.6-154.8 159.1 -8.3 3.3 -2.4 79 78 A Q E -DE 55 101A 25 -24,-2.2 -24,-2.6 -2,-0.3 2,-0.4 -0.982 13.8-174.7-127.8 136.4 -5.3 1.5 -4.0 80 79 A L E +DE 54 100A 83 20,-2.6 20,-2.9 -2,-0.4 2,-0.3 -0.995 17.6 148.8-131.2 130.9 -5.3 -1.5 -6.3 81 80 A T E -DE 53 99A 2 -28,-2.6 -28,-3.2 -2,-0.4 2,-0.4 -0.943 40.6-106.2-151.7 173.1 -2.1 -3.3 -7.5 82 81 A A E -DE 52 98A 30 16,-2.2 16,-2.3 -2,-0.3 2,-0.5 -0.849 26.8-141.0-107.6 141.2 -0.7 -6.7 -8.6 83 82 A K E +DE 51 97A 1 -32,-1.8 -32,-2.5 -2,-0.4 2,-0.5 -0.899 19.2 178.0-108.0 127.0 1.8 -8.7 -6.5 84 83 A L E + E 0 96A 79 12,-3.8 12,-1.4 -2,-0.5 2,-0.3 -0.948 15.6 153.7-129.8 110.7 4.7 -10.5 -8.0 85 84 A G E - 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