==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 21-SEP-12 3VY8 . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR C.KATTNER,J.ZAUCHA,F.JAENECKE,U.ZACHARIAE,M.TANABE . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 72.4 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 . 191 56.0 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 . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.5 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 0 3 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 0 156 0, 0.0 47,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.9 42.9 14.0 -4.0 2 2 X V E -A 47 0A 103 45,-0.2 2,-0.4 2,-0.0 45,-0.3 -0.999 360.0-160.4-135.7 121.3 42.1 15.9 -0.7 3 3 X T E -A 46 0A 42 43,-4.1 43,-2.5 -2,-0.4 2,-0.4 -0.902 13.7-149.9-119.6 142.8 38.7 17.4 0.1 4 4 X L E +A 45 0A 92 -2,-0.4 2,-0.3 41,-0.2 41,-0.2 -0.862 33.1 155.6 -97.4 136.8 37.4 20.0 2.4 5 5 X Y E +A 44 0A 31 39,-2.0 39,-2.8 -2,-0.4 2,-0.3 -0.926 3.2 135.5-153.3 168.0 33.8 19.5 3.6 6 6 X G E -A 43 0A 3 335,-1.9 335,-2.6 -2,-0.3 2,-0.4 -0.972 39.8-107.5 168.5-178.4 31.4 20.3 6.4 7 7 X T E -AB 42 340A 10 35,-1.8 35,-2.6 -2,-0.3 2,-0.5 -0.982 15.7-162.4-138.9 128.3 28.0 21.5 7.6 8 8 X I E + B 0 339A 63 331,-2.6 331,-2.6 -2,-0.4 2,-0.3 -0.962 27.0 162.6-104.7 126.3 27.2 24.9 9.1 9 9 X K E + B 0 338A 22 -2,-0.5 30,-2.4 329,-0.2 32,-0.5 -0.997 2.7 139.3-152.1 139.1 23.8 24.7 10.9 10 10 X A E +CB 38 337A 21 327,-2.1 327,-2.8 -2,-0.3 2,-0.3 -0.982 9.1 158.9-167.1 166.4 22.1 26.9 13.4 11 11 X G E -CB 37 336A 10 26,-2.0 26,-3.4 -2,-0.3 2,-0.5 -0.924 42.9 -75.8-170.1-169.3 18.8 28.4 14.5 12 12 X V E -CB 36 335A 58 323,-2.6 323,-1.7 -2,-0.3 2,-0.4 -0.989 39.6-162.3-114.2 129.3 16.7 29.8 17.2 13 13 X E E -CB 35 334A 3 22,-3.2 22,-2.8 -2,-0.5 2,-0.5 -0.880 7.3-161.5-111.5 137.3 15.2 27.5 19.8 14 14 X V E +CB 34 333A 48 319,-2.9 319,-2.3 -2,-0.4 2,-0.3 -0.980 24.0 170.9-116.3 127.5 12.3 28.3 22.2 15 15 X S E -CB 33 332A 16 18,-2.7 18,-3.8 -2,-0.5 2,-0.3 -0.999 19.2-178.2-144.7 149.1 12.1 25.9 25.2 16 16 X R E - B 0 331A 88 315,-2.1 315,-2.1 -2,-0.3 2,-0.4 -0.983 13.2-151.1-141.6 147.8 10.3 25.5 28.5 17 17 X V E - B 0 330A 32 14,-0.4 13,-3.3 -2,-0.3 2,-0.6 -0.949 4.0-156.0-125.8 139.9 10.6 22.8 31.2 18 18 X K E +DB 29 329A 86 311,-3.2 311,-2.5 -2,-0.4 2,-0.4 -0.940 33.3 149.8-116.8 100.0 7.8 21.7 33.5 19 19 X D E > - B 0 328A 26 9,-2.7 4,-2.0 -2,-0.6 309,-0.1 -0.938 31.4-164.5-139.6 112.8 9.6 20.2 36.6 20 20 X A T 4 S+ 0 0 63 307,-0.6 -1,-0.1 -2,-0.4 8,-0.1 0.914 89.2 54.1 -63.8 -46.8 7.8 20.5 40.0 21 21 X G T 4 S+ 0 0 71 304,-0.3 -1,-0.2 306,-0.2 305,-0.1 0.865 117.6 30.5 -53.8 -47.2 11.1 19.7 41.9 22 22 X T T 4 S+ 0 0 96 6,-0.1 2,-0.5 1,-0.1 -1,-0.2 0.712 112.0 63.4 -96.6 -20.0 13.3 22.4 40.4 23 23 X Y < - 0 0 90 -4,-2.0 -1,-0.1 5,-0.2 5,-0.1 -0.927 45.4-178.7-116.6 121.6 10.8 25.2 39.6 24 24 X K + 0 0 216 -2,-0.5 3,-0.2 4,-0.1 4,-0.2 0.777 55.4 107.2 -80.9 -29.3 8.8 27.1 42.3 25 25 X A S > S- 0 0 41 1,-0.2 3,-1.9 3,-0.1 4,-0.5 -0.074 92.0 -55.2 -52.7 154.3 7.0 29.3 39.7 26 26 X Q T 3 S+ 0 0 181 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 -0.005 122.8 0.9 -53.9 118.4 3.3 28.4 39.0 27 27 X G T 3 S- 0 0 59 -3,-0.2 -1,-0.2 1,-0.2 -7,-0.1 0.416 121.0 -73.4 92.0 3.1 2.6 24.8 38.0 28 28 X G S < S+ 0 0 9 -3,-1.9 -9,-2.7 1,-0.3 2,-0.3 0.577 93.2 149.4 80.6 15.0 6.2 23.7 38.2 29 29 X K B -D 18 0A 87 -4,-0.5 -1,-0.3 -3,-0.4 -11,-0.2 -0.644 39.2-145.2 -87.9 131.0 6.9 25.6 35.0 30 30 X S - 0 0 14 -13,-3.3 2,-0.1 -2,-0.3 -1,-0.1 -0.174 36.4 -90.0 -70.3 176.5 10.2 27.3 34.1 31 31 X K - 0 0 166 1,-0.1 2,-0.5 -15,-0.0 -14,-0.4 -0.463 51.5 -92.6 -76.6 166.5 10.3 30.5 32.2 32 32 X T - 0 0 72 -2,-0.1 2,-0.4 -16,-0.1 -16,-0.2 -0.742 39.9-148.8 -83.8 123.8 10.4 30.2 28.4 33 33 X A E -C 15 0A 42 -18,-3.8 -18,-2.7 -2,-0.5 2,-0.5 -0.791 9.9-166.6 -96.8 136.4 14.0 30.3 27.1 34 34 X T E +C 14 0A 101 -2,-0.4 2,-0.4 -20,-0.2 -20,-0.2 -0.971 19.0 170.6-125.7 116.5 14.8 31.8 23.6 35 35 X Q E -C 13 0A 99 -22,-2.8 -22,-3.2 -2,-0.5 2,-0.4 -0.990 39.7-137.6-140.3 127.8 18.2 31.1 22.2 36 36 X I E -C 12 0A 154 -2,-0.4 2,-0.4 -24,-0.3 -24,-0.2 -0.660 44.9-179.5 -62.3 126.2 20.3 31.4 19.1 37 37 X A E -C 11 0A 15 -26,-3.4 -26,-2.0 -2,-0.4 2,-0.2 -0.984 32.9-125.4-140.2 138.1 22.0 28.0 19.0 38 38 X D E -C 10 0A 24 -2,-0.4 75,-0.4 -28,-0.2 -28,-0.3 -0.576 18.7-149.9 -71.5 141.3 24.5 26.2 16.8 39 39 X F - 0 0 10 -30,-2.4 72,-0.4 -2,-0.2 -29,-0.2 0.208 65.6 -63.8 -97.7 10.8 23.1 22.8 15.7 40 40 X G - 0 0 31 -31,-0.4 -30,-0.1 70,-0.1 -33,-0.1 0.755 63.7-168.3 110.9 38.7 26.4 21.0 15.5 41 41 X S - 0 0 2 -32,-0.5 24,-2.3 23,-0.1 2,-0.3 -0.174 14.7-179.7 -59.6 148.1 28.3 22.8 12.8 42 42 X K E -AE 7 64A 33 -35,-2.6 -35,-1.8 22,-0.3 2,-0.4 -0.976 21.1-154.2-153.0 158.6 31.5 20.8 11.8 43 43 X I E -AE 6 63A 55 20,-2.2 20,-2.8 -2,-0.3 2,-0.3 -0.999 16.8-178.9-143.7 137.2 34.4 20.9 9.4 44 44 X G E -AE 5 62A 0 -39,-2.8 -39,-2.0 -2,-0.4 2,-0.4 -0.917 21.4-153.9-136.4 161.6 36.5 18.1 8.0 45 45 X F E +AE 4 61A 66 16,-2.2 16,-3.2 -2,-0.3 2,-0.3 -0.996 27.3 163.8-132.0 130.0 39.4 17.2 5.7 46 46 X K E +AE 3 60A 82 -43,-2.5 -43,-4.1 -2,-0.4 2,-0.3 -0.967 7.0 171.4-145.7 162.6 39.6 13.8 4.0 47 47 X G E -AE 2 59A 10 12,-1.9 12,-1.9 -2,-0.3 2,-0.3 -0.958 13.1-157.1-160.7 168.7 41.5 12.2 1.1 48 48 X Q E - E 0 58A 79 -47,-1.5 2,-0.4 -2,-0.3 10,-0.2 -0.969 5.2-157.6-151.6 154.9 42.1 8.9 -0.6 49 49 X E E - E 0 57A 126 8,-2.0 8,-2.7 -2,-0.3 2,-0.3 -0.975 21.4-125.8-140.5 127.8 44.9 7.6 -2.8 50 50 X D E - E 0 56A 108 -2,-0.4 6,-0.3 6,-0.2 -2,-0.0 -0.505 16.3-166.1 -71.0 123.7 44.8 4.7 -5.3 51 51 X L - 0 0 76 4,-3.6 5,-0.2 -2,-0.3 -1,-0.1 0.365 46.6-105.2 -93.8 4.8 47.5 2.3 -4.4 52 52 X G S S+ 0 0 54 3,-0.5 4,-0.1 1,-0.0 -2,-0.1 0.039 100.5 70.3 108.7 -24.6 47.1 0.5 -7.8 53 53 X N S S- 0 0 125 2,-0.2 33,-0.2 0, 0.0 3,-0.1 0.036 125.4 -71.5-118.3 24.7 45.3 -2.9 -7.3 54 54 X G S S+ 0 0 57 1,-0.3 2,-0.4 31,-0.1 -4,-0.0 0.469 106.9 123.1 81.5 5.6 41.7 -1.9 -6.4 55 55 X M - 0 0 56 30,-0.2 -4,-3.6 31,-0.1 -3,-0.5 -0.837 40.5-174.8-100.7 140.9 43.3 -0.7 -3.1 56 56 X K E -EF 50 84A 68 28,-3.1 28,-2.1 -2,-0.4 2,-0.3 -0.980 23.9-133.8-130.4 141.5 43.1 2.8 -1.7 57 57 X A E -EF 49 83A 28 -8,-2.7 -8,-2.0 -2,-0.4 2,-0.3 -0.769 33.0-170.1 -78.8 141.0 44.6 4.6 1.3 58 58 X I E +EF 48 82A 21 24,-2.2 24,-2.6 -2,-0.3 2,-0.3 -0.987 13.0 163.9-131.6 149.6 41.9 6.6 3.1 59 59 X W E -EF 47 81A 90 -12,-1.9 -12,-1.9 -2,-0.3 2,-0.3 -0.971 9.5-174.9-155.6 164.2 41.9 9.2 5.9 60 60 X Q E -EF 46 80A 22 20,-2.1 20,-2.0 -2,-0.3 2,-0.4 -0.962 10.8-166.5-161.8 139.4 39.7 11.8 7.4 61 61 X L E +E 45 0A 67 -16,-3.2 -16,-2.2 -2,-0.3 2,-0.4 -0.927 21.1 175.9-131.2 106.2 40.1 14.5 10.1 62 62 X E E -EF 44 77A 17 15,-0.6 15,-2.2 -2,-0.4 2,-0.3 -0.916 3.7-175.7-116.9 146.9 36.8 15.9 11.2 63 63 X Q E -E 43 0A 7 -20,-2.8 -20,-2.2 -2,-0.4 2,-0.2 -0.974 32.1-107.4-139.1 151.4 36.2 18.5 14.0 64 64 X K E +E 42 0A 88 -2,-0.3 -22,-0.3 -22,-0.2 12,-0.1 -0.512 37.7 172.5 -68.6 136.8 33.4 20.2 15.9 65 65 X A - 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