==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 03-OCT-98 1BXW . COMPND 2 MOLECULE: PROTEIN (OUTER MEMBRANE PROTEIN A); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI BL21(DE3); . AUTHOR G.E.SCHULZ,A.PAUTSCH . 172 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 68.6 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 . 99 57.6 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 . 3 1.7 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 11 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 0 0 0 0 0 0 0 1 2 1 1 1 0 0 1 1 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 71 0, 0.0 94,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 72.8 46.0 8.7 38.1 2 1 A A - 0 0 19 46,-0.2 3,-0.1 1,-0.1 47,-0.1 -0.183 360.0 -76.3 -72.2 162.5 44.8 11.7 40.1 3 2 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.193 64.5 -86.8 -54.0 152.9 46.8 14.9 40.0 4 3 A K > - 0 0 126 4,-0.1 3,-1.5 -3,-0.1 41,-0.2 -0.238 55.4 -81.5 -60.8 153.1 50.0 14.8 42.1 5 4 A D T 3 S+ 0 0 80 1,-0.2 2,-0.2 -3,-0.1 -1,-0.0 0.674 114.7 16.1 -38.9 -67.1 49.9 15.7 45.8 6 5 A N T 3 S+ 0 0 108 38,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.192 101.3 120.9-113.0 57.6 50.0 19.5 46.4 7 6 A T < - 0 0 18 -3,-1.5 38,-3.2 -2,-0.2 2,-0.2 -0.679 51.3-131.4-116.4 163.8 49.1 20.6 42.9 8 7 A W E -AB 44 173A 154 165,-0.6 165,-1.7 -2,-0.2 2,-0.3 -0.710 17.4-176.2-104.4 158.7 46.5 22.5 40.9 9 8 A Y E -AB 43 172A 2 34,-1.6 34,-2.4 -2,-0.2 2,-0.3 -0.942 5.9-162.9-149.0 164.0 44.5 21.8 37.8 10 9 A T E +AB 42 171A 66 161,-1.8 161,-2.9 -2,-0.3 2,-0.3 -0.976 15.7 161.4-143.2 157.3 42.1 23.7 35.5 11 10 A G E -AB 41 170A 15 30,-2.6 30,-2.5 -2,-0.3 2,-0.3 -0.973 25.1-133.6-163.9-179.8 39.6 22.6 32.9 12 11 A A E -AB 40 169A 57 157,-2.0 157,-1.7 -2,-0.3 2,-0.3 -0.911 18.1-164.7-139.7 160.8 36.5 23.3 30.8 13 12 A K E -AB 39 168A 17 26,-2.0 26,-1.3 -2,-0.3 2,-0.5 -0.986 17.8-140.9-148.3 157.8 33.4 21.3 29.9 14 13 A L E -AB 38 167A 120 153,-2.2 153,-1.8 -2,-0.3 2,-0.3 -0.982 32.1-166.1-114.8 128.9 30.5 21.2 27.5 15 14 A G E -AB 37 166A 4 22,-3.4 22,-2.4 -2,-0.5 2,-0.4 -0.836 16.8-164.4-122.5 161.4 27.2 20.2 29.1 16 15 A W E -AB 36 165A 108 149,-2.1 149,-2.5 -2,-0.3 2,-0.4 -0.998 2.8-171.2-138.4 137.0 23.7 19.1 28.1 17 16 A S E -A 35 0A 1 18,-3.3 18,-2.7 -2,-0.4 3,-0.2 -0.984 16.2-151.3-132.1 124.5 20.6 19.0 30.2 18 17 A Q S S- 0 0 107 -2,-0.4 15,-0.5 145,-0.4 2,-0.2 0.489 84.5 -19.8 -70.0 -11.7 17.4 17.4 28.9 19 18 A Y - 0 0 114 144,-0.3 -1,-0.3 13,-0.1 143,-0.1 -0.511 55.1-173.1 166.9 120.2 15.0 19.6 30.9 20 19 A H S S- 0 0 26 -3,-0.2 2,-0.2 -2,-0.2 142,-0.2 0.389 78.6 -13.6-107.4 -0.3 16.3 21.6 34.0 21 20 A D - 0 0 35 140,-0.2 2,-0.1 138,-0.0 12,-0.1 -0.584 67.5-132.5-156.4-140.6 12.7 22.6 34.8 22 21 A T - 0 0 108 -2,-0.2 -3,-0.0 138,-0.1 10,-0.0 -0.957 8.3-165.4 129.0 140.8 9.2 22.8 33.3 23 22 A G + 0 0 71 -2,-0.1 5,-0.0 2,-0.0 -1,-0.0 0.077 17.5 163.3 -78.1-102.6 6.2 25.3 32.8 24 23 A L - 0 0 121 1,-0.1 2,-0.3 3,-0.0 3,-0.2 0.827 27.9-153.2 68.7 150.4 2.4 24.6 31.7 25 24 A I - 0 0 125 2,-1.0 -1,-0.1 1,-0.6 -2,-0.0 -0.974 60.1 -91.4-130.9 136.9 -1.4 26.0 31.5 26 25 A N S S+ 0 0 151 -2,-0.3 -1,-0.6 1,-0.0 0, 0.0 0.200 127.1 62.7 -9.3 -90.5 -4.0 23.4 31.4 27 26 A N S S- 0 0 113 -3,-0.2 -2,-1.0 1,-0.1 -3,-0.0 0.230 104.4-107.2 -29.9 121.5 -3.4 23.9 27.9 28 27 A N + 0 0 141 -4,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.142 32.2 178.6 -62.0 149.4 0.1 23.2 26.6 29 28 A G + 0 0 23 1,-0.3 -1,-0.1 38,-0.0 2,-0.1 0.674 66.2 20.8-120.0 -70.6 2.6 26.0 25.6 30 29 A P - 0 0 43 0, 0.0 -1,-0.3 0, 0.0 35,-0.1 -0.387 69.5-131.8 -82.5 174.8 6.2 24.4 24.4 31 30 A T - 0 0 106 1,-0.5 2,-0.3 33,-0.4 34,-0.1 0.719 68.2 -44.6-106.5 -26.5 6.7 20.7 23.3 32 31 A H - 0 0 75 32,-0.3 -1,-0.5 2,-0.0 2,-0.4 -0.899 65.8-112.0 173.4 175.6 9.8 19.5 25.3 33 32 A E - 0 0 18 -15,-0.5 2,-0.4 -2,-0.3 28,-0.0 -0.964 18.9-173.0-148.8 155.5 13.2 21.0 26.1 34 33 A N - 0 0 82 28,-0.4 28,-3.3 -2,-0.4 2,-0.4 -0.996 6.3-169.8-137.6 134.4 16.9 21.1 25.7 35 34 A K E -AC 17 61A 1 -18,-2.7 -18,-3.3 -2,-0.4 2,-0.3 -0.976 6.5-177.6-123.2 138.4 19.7 23.0 27.4 36 35 A L E +AC 16 60A 90 24,-1.7 24,-2.4 -2,-0.4 2,-0.3 -0.954 17.2 137.3-130.1 146.9 23.3 23.1 26.3 37 36 A G E -AC 15 59A 12 -22,-2.4 -22,-3.4 -2,-0.3 2,-0.2 -0.939 34.2-121.5-167.6-165.8 26.2 25.0 27.9 38 37 A A E -AC 14 58A 17 20,-1.2 20,-2.9 -24,-0.3 2,-0.3 -0.807 17.7-176.2-145.1 177.0 29.7 25.1 29.1 39 38 A G E -AC 13 57A 5 -26,-1.3 -26,-2.0 18,-0.3 2,-0.3 -0.962 16.2-137.3-172.5 166.3 31.7 25.7 32.3 40 39 A A E -AC 12 56A 51 16,-2.2 16,-2.7 -2,-0.3 2,-0.3 -0.955 20.7-176.3-135.1 150.1 35.2 26.1 33.6 41 40 A F E -AC 11 55A 17 -30,-2.5 -30,-2.6 -2,-0.3 2,-0.3 -0.988 9.4-171.1-148.1 156.3 36.7 24.6 36.8 42 41 A G E +AC 10 54A 22 12,-2.9 12,-3.1 -2,-0.3 2,-0.3 -0.965 15.2 173.2-143.6 153.5 39.9 24.7 38.8 43 42 A G E -AC 9 53A 3 -34,-2.4 -34,-1.6 -2,-0.3 2,-0.4 -0.950 28.7-127.5-154.3 175.2 41.0 22.7 41.8 44 43 A Y E -AC 8 52A 65 8,-2.3 8,-2.3 -2,-0.3 2,-0.4 -0.998 22.1-142.8-130.1 127.3 43.7 21.7 44.2 45 44 A Q E - C 0 51A 2 -38,-3.2 6,-0.3 -2,-0.4 -38,-0.2 -0.777 15.7-178.1 -90.6 134.5 44.6 18.1 44.9 46 45 A V E - 0 0 48 4,-3.3 5,-0.2 1,-0.5 -1,-0.2 0.841 69.8 -27.9 -97.0 -43.6 45.4 17.2 48.5 47 46 A N E > S- C 0 50A 53 3,-1.4 3,-0.8 -43,-0.0 -1,-0.5 -0.892 85.4 -72.5-157.7 177.7 46.3 13.5 48.1 48 47 A P T 3 S+ 0 0 54 0, 0.0 -46,-0.2 0, 0.0 3,-0.1 0.614 129.3 40.7 -60.8 -14.1 45.2 10.8 45.5 49 48 A Y T 3 S+ 0 0 114 1,-0.2 38,-2.9 39,-0.1 2,-0.4 0.694 112.4 50.5-106.6 -24.5 41.7 10.5 47.0 50 49 A V E < +CD 47 86A 38 -3,-0.8 -4,-3.3 36,-0.2 -3,-1.4 -0.977 49.7 151.3-134.1 135.1 40.8 14.1 47.8 51 50 A G E -CD 45 85A 0 34,-2.1 34,-3.6 -2,-0.4 2,-0.4 -0.894 29.4-136.0-142.5 165.5 40.7 17.4 46.0 52 51 A F E -CD 44 84A 103 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.4 -0.999 25.5-171.6-127.3 135.5 38.7 20.6 46.2 53 52 A E E -CD 43 83A 6 30,-2.2 30,-2.6 -2,-0.4 2,-0.4 -0.957 19.4-155.0-138.0 159.1 37.3 22.5 43.2 54 53 A M E +CD 42 82A 115 -12,-3.1 -12,-2.9 -2,-0.4 2,-0.3 -0.959 22.9 175.7-121.1 132.7 35.7 25.6 42.1 55 54 A G E -CD 41 81A 8 26,-1.9 26,-2.8 -2,-0.4 2,-0.4 -0.982 23.8-153.9-141.4 160.4 33.6 25.9 38.9 56 55 A Y E -CD 40 80A 81 -16,-2.7 -16,-2.2 -2,-0.3 2,-0.3 -0.990 22.5-176.5-125.5 131.0 31.4 28.2 37.0 57 56 A D E -CD 39 79A 10 22,-2.5 22,-1.8 -2,-0.4 2,-0.3 -0.954 9.5-166.6-129.5 157.7 28.7 26.7 34.6 58 57 A W E -CD 38 78A 110 -20,-2.9 -20,-1.2 -2,-0.3 2,-0.4 -0.997 2.1-172.5-143.8 139.3 26.2 28.2 32.2 59 58 A L E -CD 37 77A 10 18,-2.2 18,-2.9 -2,-0.3 2,-0.4 -0.996 2.8-167.4-132.7 138.9 23.2 26.7 30.4 60 59 A G E -CD 36 76A 21 -24,-2.4 -24,-1.7 -2,-0.4 16,-0.2 -0.971 27.6-116.0-125.6 139.1 21.0 28.2 27.7 61 60 A R E -C 35 0A 58 14,-2.6 -26,-0.3 -2,-0.4 14,-0.2 -0.551 33.8-127.8 -72.1 140.0 17.7 26.9 26.5 62 61 A M - 0 0 100 -28,-3.3 2,-0.4 -2,-0.2 -28,-0.4 -0.811 23.8-109.7 -95.4 132.2 17.9 25.7 22.8 63 62 A P + 0 0 101 0, 0.0 2,-0.1 0, 0.0 -30,-0.0 -0.485 60.2 130.8 -65.8 113.8 15.4 27.1 20.4 64 63 A Y 0 0 191 -2,-0.4 -33,-0.4 -32,-0.1 -32,-0.3 -0.538 360.0 360.0-169.6 102.8 12.8 24.6 19.2 65 64 A K 0 0 146 -2,-0.1 -1,-0.1 -35,-0.1 -34,-0.0 0.237 360.0 360.0 18.0 360.0 9.0 24.8 19.0 66 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 65 A G 0 0 51 0, 0.0 -38,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.1 6.3 26.8 17.7 68 66 A S - 0 0 73 4,-0.0 0, 0.0 -37,-0.0 0, 0.0 0.368 360.0 -63.7 128.5 52.3 2.6 27.1 18.6 69 67 A V 0 0 98 1,-0.1 0, 0.0 3,-0.0 0, 0.0 0.970 360.0 360.0 49.9 90.5 2.7 30.6 19.6 70 68 A E 0 0 127 2,-0.2 3,-0.2 41,-0.0 42,-0.1 0.912 360.0 360.0 132.3 360.0 4.8 31.5 22.4 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 69 A N 0 0 98 0, 0.0 2,-0.2 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0-101.8 8.2 30.6 24.1 73 70 A G - 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