==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 04-JUN-09 3A2S . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR M.TANABE,T.M.IVERSON . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 74.2 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 . 190 55.7 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 1 1 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 . 5 0 1 1 1 2 2 2 1 2 1 1 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 X Q 0 0 119 0, 0.0 47,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.4 41.5 13.6 -3.9 2 2 X V E -A 47 0A 113 45,-0.2 2,-0.4 2,-0.0 45,-0.2 -0.873 360.0-172.2-137.0 113.3 41.7 15.9 -0.9 3 3 X T E -A 46 0A 41 43,-3.2 43,-1.8 -2,-0.3 2,-0.4 -0.892 21.7-151.5-116.0 136.7 38.3 17.4 -0.1 4 4 X L E +A 45 0A 91 -2,-0.4 2,-0.3 41,-0.2 41,-0.2 -0.869 35.8 156.0 -90.2 134.8 37.1 20.1 2.4 5 5 X Y E +A 44 0A 34 39,-2.2 39,-2.7 -2,-0.4 2,-0.3 -0.920 3.9 129.1-152.4 172.2 33.6 19.5 3.5 6 6 X G E -A 43 0A 4 335,-1.7 335,-2.9 -2,-0.3 2,-0.4 -0.952 41.9-102.0 161.2-178.0 31.1 20.2 6.3 7 7 X T E -AB 42 340A 16 35,-1.6 35,-2.3 -2,-0.3 2,-0.5 -0.986 15.2-159.5-140.1 127.3 27.8 21.5 7.4 8 8 X I E + B 0 339A 63 331,-3.0 331,-3.6 -2,-0.4 2,-0.3 -0.941 28.0 162.6-100.6 128.2 26.9 24.8 8.9 9 9 X K E + B 0 338A 23 -2,-0.5 30,-2.9 329,-0.2 32,-0.5 -0.981 3.2 135.6-152.9 135.8 23.6 24.7 10.8 10 10 X A E +CB 38 337A 19 327,-2.1 327,-3.0 -2,-0.3 2,-0.3 -0.971 12.3 164.0-168.4 166.5 21.9 26.8 13.4 11 11 X G E -CB 37 336A 11 26,-2.2 26,-2.9 -2,-0.3 2,-0.5 -0.953 42.0 -75.7-171.1-172.6 18.6 28.4 14.4 12 12 X V E -CB 36 335A 60 323,-2.6 323,-1.8 -2,-0.3 2,-0.4 -0.935 43.4-164.2-107.0 124.5 16.4 30.0 17.0 13 13 X E E -CB 35 334A 4 22,-3.2 22,-2.7 -2,-0.5 2,-0.4 -0.942 9.3-164.5-117.9 138.9 15.0 27.7 19.7 14 14 X V E +CB 34 333A 45 319,-3.1 319,-2.5 -2,-0.4 2,-0.3 -0.967 20.5 170.0-120.3 126.5 12.2 28.3 22.1 15 15 X S E -CB 33 332A 17 18,-2.3 18,-3.0 -2,-0.4 2,-0.4 -0.996 20.0-171.3-147.5 147.3 11.8 26.0 25.1 16 16 X R E - B 0 331A 86 315,-2.5 315,-2.5 -2,-0.3 2,-0.4 -0.990 11.1-153.9-136.4 140.7 9.9 25.5 28.4 17 17 X V E - B 0 330A 36 14,-0.4 13,-3.3 -2,-0.4 2,-0.5 -0.940 2.7-156.5-114.8 138.8 10.4 23.0 31.1 18 18 X K E +DB 29 329A 83 311,-3.2 311,-2.5 -2,-0.4 11,-0.3 -0.983 31.8 148.4-112.1 116.0 7.7 21.8 33.5 19 19 X D E > - B 0 328A 28 9,-3.6 4,-2.7 -2,-0.5 3,-0.2 -0.776 32.4-165.2-156.7 101.3 9.3 20.4 36.7 20 20 X A T 4 S+ 0 0 69 307,-0.5 8,-0.2 -2,-0.2 306,-0.1 0.767 90.9 55.0 -59.2 -29.9 7.6 20.7 40.2 21 21 X G T 4 S+ 0 0 68 304,-0.3 -1,-0.2 306,-0.3 305,-0.1 0.919 119.1 26.3 -70.7 -48.0 10.9 19.9 41.9 22 22 X T T 4 S+ 0 0 99 -3,-0.2 2,-0.4 6,-0.1 -2,-0.2 0.726 123.9 45.7 -95.3 -24.4 13.2 22.5 40.4 23 23 X Y < + 0 0 92 -4,-2.7 7,-0.1 5,-0.2 -1,-0.1 -0.932 48.6 175.9-119.4 146.4 10.6 25.2 39.6 24 24 X K > + 0 0 176 -2,-0.4 2,-0.9 5,-0.1 3,-0.6 0.578 46.0 111.5-118.8 -19.0 7.8 26.5 41.8 25 25 X A T 3 S- 0 0 33 1,-0.2 4,-0.3 4,-0.2 -2,-0.0 -0.476 96.4 -20.8 -70.3 99.9 6.3 29.4 39.7 26 26 X Q T > S- 0 0 163 -2,-0.9 3,-0.6 2,-0.1 -1,-0.2 0.981 134.4 -24.7 66.6 67.8 2.8 28.3 38.6 27 27 X G T < S- 0 0 61 -3,-0.6 -7,-0.2 1,-0.2 -2,-0.1 0.822 118.6 -59.7 74.7 33.4 2.5 24.5 38.8 28 28 X G T 3 S+ 0 0 4 -4,-0.4 -9,-3.6 1,-0.2 2,-0.3 0.533 94.7 146.8 74.4 8.2 6.2 23.8 38.4 29 29 X K B < -D 18 0A 91 -3,-0.6 -11,-0.3 -4,-0.3 -1,-0.2 -0.579 37.0-144.7 -77.8 136.6 6.5 25.5 35.0 30 30 X S - 0 0 11 -13,-3.3 2,-0.1 -2,-0.3 -1,-0.1 -0.228 30.9 -84.3 -82.3 178.9 9.7 27.3 34.2 31 31 X K - 0 0 168 1,-0.1 2,-0.5 -2,-0.1 -14,-0.4 -0.417 50.4 -98.9 -75.2 162.9 10.1 30.5 32.1 32 32 X T - 0 0 73 -16,-0.1 2,-0.4 -2,-0.1 -16,-0.2 -0.782 37.7-151.3 -89.0 123.8 10.2 30.3 28.3 33 33 X A E -C 15 0A 43 -18,-3.0 -18,-2.3 -2,-0.5 2,-0.4 -0.778 10.0-167.4 -98.4 139.8 13.7 30.5 26.9 34 34 X T E +C 14 0A 98 -2,-0.4 2,-0.4 -20,-0.2 -20,-0.2 -0.968 19.4 168.6-129.0 115.8 14.6 31.8 23.4 35 35 X Q E -C 13 0A 100 -22,-2.7 -22,-3.2 -2,-0.4 2,-0.4 -0.982 40.3-132.2-135.2 133.6 18.1 31.2 22.1 36 36 X I E -C 12 0A 149 -2,-0.4 2,-0.4 -24,-0.2 -24,-0.2 -0.706 44.5-178.9 -67.1 127.9 20.2 31.4 19.0 37 37 X A E -C 11 0A 15 -26,-2.9 -26,-2.2 -2,-0.4 2,-0.2 -0.997 31.2-126.8-140.1 133.5 21.8 27.9 19.0 38 38 X D E -C 10 0A 21 -2,-0.4 75,-0.4 -28,-0.2 -28,-0.3 -0.573 18.7-146.9 -67.6 141.6 24.3 26.2 16.7 39 39 X F - 0 0 10 -30,-2.9 72,-0.5 -2,-0.2 -29,-0.2 0.285 64.8 -62.8 -98.1 8.8 22.9 22.8 15.6 40 40 X G - 0 0 31 -31,-0.5 26,-0.1 70,-0.1 -33,-0.1 0.751 63.2-166.2 112.4 41.4 26.2 21.0 15.4 41 41 X S + 0 0 1 -32,-0.5 24,-3.1 23,-0.1 2,-0.3 -0.253 14.4 179.9 -54.7 145.4 28.2 22.7 12.7 42 42 X K E -AE 7 64A 46 -35,-2.3 -35,-1.6 22,-0.3 2,-0.3 -0.976 19.5-161.0-151.3 154.6 31.2 20.6 11.6 43 43 X I E +AE 6 63A 54 20,-1.9 20,-2.7 -2,-0.3 2,-0.3 -0.997 15.5 177.7-143.0 138.6 34.1 20.8 9.2 44 44 X G E -AE 5 62A 0 -39,-2.7 -39,-2.2 -2,-0.3 2,-0.4 -0.938 22.4-149.0-139.3 164.8 36.3 18.0 7.9 45 45 X F E +AE 4 61A 62 16,-2.1 16,-3.2 -2,-0.3 2,-0.3 -0.974 29.3 163.0-128.5 140.8 39.2 17.2 5.6 46 46 X K E +AE 3 60A 70 -43,-1.8 -43,-3.2 -2,-0.4 2,-0.3 -0.983 8.1 170.6-158.2 160.4 39.4 13.8 3.8 47 47 X G E -AE 2 59A 4 12,-1.9 12,-1.9 -2,-0.3 2,-0.3 -0.979 15.3-149.4-166.3 170.3 41.1 12.0 1.0 48 48 X Q E - E 0 58A 79 -47,-1.1 2,-0.4 -2,-0.3 10,-0.2 -0.984 5.4-158.0-149.8 151.2 41.8 8.8 -0.8 49 49 X E E - E 0 57A 127 8,-2.2 8,-2.5 -2,-0.3 2,-0.3 -0.961 22.0-127.4-138.3 122.0 44.6 7.4 -2.9 50 50 X D E - E 0 56A 115 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.483 20.2-169.2 -61.3 122.6 44.5 4.5 -5.4 51 51 X L E - 0 0 78 4,-3.4 5,-0.2 -2,-0.3 -1,-0.1 0.407 48.4 -94.2 -97.5 2.1 47.2 2.1 -4.4 52 52 X G E > S+ E 0 55A 37 3,-0.5 3,-0.8 2,-0.0 -1,-0.2 0.306 99.3 40.1 90.9 137.3 47.0 0.0 -7.6 53 53 X N T 3 S- 0 0 178 1,-0.2 2,-0.6 -3,-0.1 3,-0.1 0.962 130.9 -47.1 54.8 61.7 45.0 -3.2 -8.2 54 54 X G T 3 S+ 0 0 57 1,-0.1 -1,-0.2 31,-0.1 2,-0.2 -0.078 106.4 112.4 86.9 -33.4 41.7 -2.3 -6.4 55 55 X M E < -E 52 0A 68 -3,-0.8 -4,-3.4 -2,-0.6 -3,-0.5 -0.486 40.3-172.6 -85.5 146.2 43.0 -1.0 -3.0 56 56 X K E -EF 50 84A 61 28,-2.9 28,-2.3 -6,-0.3 2,-0.4 -0.985 21.7-133.6-131.2 140.7 42.8 2.6 -1.8 57 57 X A E -EF 49 83A 27 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.3 -0.803 31.7-170.6 -85.1 138.8 44.2 4.4 1.2 58 58 X I E +EF 48 82A 23 24,-2.5 24,-2.3 -2,-0.4 2,-0.3 -0.964 11.5 168.0-131.1 149.9 41.5 6.5 3.0 59 59 X W E -EF 47 81A 87 -12,-1.9 -12,-1.9 -2,-0.3 2,-0.3 -0.984 8.8-172.8-155.4 158.5 41.6 9.0 5.7 60 60 X Q E -EF 46 80A 25 20,-2.3 20,-2.1 -2,-0.3 2,-0.4 -0.975 10.7-169.0-155.7 140.0 39.4 11.7 7.4 61 61 X L E +E 45 0A 71 -16,-3.2 -16,-2.1 -2,-0.3 2,-0.4 -0.917 20.8 176.3-129.9 104.0 39.9 14.4 10.0 62 62 X E E -E 44 0A 15 15,-0.4 15,-2.1 16,-0.4 2,-0.3 -0.906 5.2-171.0-117.9 143.2 36.5 15.8 11.1 63 63 X Q E -E 43 0A 8 -20,-2.7 -20,-1.9 -2,-0.4 2,-0.3 -0.932 30.1-110.3-131.7 148.7 36.0 18.4 13.8 64 64 X K E +E 42 0A 86 -2,-0.3 2,-0.3 -22,-0.2 -22,-0.3 -0.596 38.3 175.7 -70.0 137.3 33.2 20.1 15.8 65 65 X A - 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