==== 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 3VY9 . 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) . 16672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 77.4 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 . 192 56.3 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 . 9 2.6 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-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 . 30 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.2 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 . 1 0.3 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 0 4 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 0 184 0, 0.0 47,-1.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 34.2 7.9 -5.1 2.7 2 2 X V E -A 47 0A 98 45,-0.2 2,-0.3 43,-0.0 45,-0.3 -0.961 360.0-156.4-121.7 105.9 6.5 -4.4 6.2 3 3 X T E -A 46 0A 71 43,-2.0 43,-1.9 -2,-0.5 2,-0.6 -0.631 14.1-144.4 -99.4 143.2 3.3 -6.2 6.8 4 4 X L E +A 45 0A 94 -2,-0.3 2,-0.3 41,-0.2 41,-0.2 -0.888 36.3 163.1 -94.1 123.2 0.4 -5.5 9.2 5 5 X Y E +A 44 0A 24 39,-3.5 39,-3.9 -2,-0.6 2,-0.3 -0.917 5.1 130.1-140.4 164.0 -1.1 -8.8 10.3 6 6 X G E -A 43 0A 2 335,-3.6 335,-4.2 -2,-0.3 2,-0.4 -0.965 41.6-111.9 173.0 176.5 -3.3 -10.2 13.0 7 7 X T E -AB 42 340A 10 35,-1.3 35,-2.5 -2,-0.3 2,-0.4 -0.999 19.0-162.6-127.6 128.8 -6.2 -12.2 14.1 8 8 X I E + B 0 339A 58 331,-3.4 331,-3.4 -2,-0.4 2,-0.3 -0.895 26.1 161.2 -99.1 143.4 -9.2 -10.7 15.6 9 9 X K E + B 0 338A 12 -2,-0.4 30,-3.6 329,-0.2 32,-0.5 -0.851 4.8 135.1-166.2 131.9 -11.2 -13.3 17.4 10 10 X A E +CB 38 337A 15 327,-2.2 327,-2.9 28,-0.3 2,-0.3 -0.912 10.7 158.2-158.6 178.0 -13.9 -13.3 20.0 11 11 X G E -CB 37 336A 14 26,-2.2 26,-3.2 -2,-0.3 2,-0.5 -0.961 48.9 -65.8-179.8-170.2 -17.2 -14.9 20.8 12 12 X V E -CB 36 335A 50 323,-1.8 323,-1.6 -2,-0.3 2,-0.5 -0.902 43.3-162.9 -97.6 128.6 -19.6 -15.7 23.5 13 13 X E E -CB 35 334A 1 22,-2.8 22,-2.2 -2,-0.5 2,-0.5 -0.951 2.8-165.2-109.9 131.2 -18.2 -18.2 26.0 14 14 X V E +CB 34 333A 47 319,-3.6 319,-2.7 -2,-0.5 2,-0.3 -0.963 19.1 178.6-112.4 129.0 -20.7 -19.9 28.3 15 15 X S E -CB 33 332A 14 18,-2.1 18,-3.2 -2,-0.5 2,-0.3 -0.974 16.9-176.2-136.3 152.2 -18.9 -21.6 31.2 16 16 X R E - B 0 331A 68 315,-3.4 315,-2.8 -2,-0.3 2,-0.4 -0.989 10.7-153.9-141.8 143.1 -19.9 -23.6 34.2 17 17 X V E - B 0 330A 30 -2,-0.3 13,-2.0 313,-0.2 2,-0.8 -0.978 5.4-162.8-124.9 120.9 -17.8 -25.0 37.0 18 18 X K E +DB 29 329A 86 311,-3.4 311,-3.6 -2,-0.4 2,-0.3 -0.896 36.4 145.7 -91.1 105.0 -18.7 -28.0 39.1 19 19 X D E > - B 0 328A 31 9,-2.8 4,-2.4 -2,-0.8 309,-0.2 -0.909 39.5-159.3-146.1 113.3 -16.3 -27.6 42.1 20 20 X A T 4 S+ 0 0 67 307,-0.6 8,-0.1 -2,-0.3 -1,-0.1 0.868 93.2 52.0 -61.4 -36.7 -17.4 -28.6 45.6 21 21 X G T 4 S+ 0 0 56 1,-0.2 -1,-0.2 306,-0.1 3,-0.1 0.917 118.5 31.7 -68.3 -47.7 -14.8 -26.3 47.2 22 22 X T T 4 S+ 0 0 85 1,-0.2 2,-0.5 6,-0.1 -2,-0.2 0.851 119.9 51.6 -78.2 -35.4 -15.6 -23.0 45.4 23 23 X Y < + 0 0 95 -4,-2.4 -1,-0.2 5,-0.3 -4,-0.1 -0.908 44.7 174.8-121.6 121.2 -19.4 -23.6 44.9 24 24 X K + 0 0 180 -2,-0.5 3,-0.2 -3,-0.1 4,-0.2 0.603 51.4 111.4 -90.5 -16.7 -22.0 -24.5 47.6 25 25 X A S > S- 0 0 41 4,-0.2 3,-2.9 1,-0.2 4,-0.3 -0.058 91.6 -41.1 -56.2 163.6 -25.0 -24.2 45.3 26 26 X Q G > S- 0 0 180 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.061 130.9 -11.4 -37.7 118.5 -26.9 -27.4 44.3 27 27 X G G 3 S- 0 0 68 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.618 118.4 -70.9 65.5 18.3 -24.3 -30.1 43.6 28 28 X G G < S+ 0 0 9 -3,-2.9 -9,-2.8 1,-0.3 -5,-0.3 0.499 89.7 147.5 78.7 3.9 -21.3 -27.8 43.6 29 29 X K B < -D 18 0A 83 -3,-1.4 -11,-0.3 -4,-0.3 -1,-0.3 -0.478 42.9-135.8 -71.9 139.2 -22.2 -26.2 40.3 30 30 X S - 0 0 13 -13,-2.0 2,-0.2 -2,-0.2 -1,-0.1 -0.440 38.0 -91.3 -76.0 162.3 -21.4 -22.5 39.6 31 31 X K - 0 0 176 -2,-0.1 2,-0.3 1,-0.1 -14,-0.2 -0.580 54.7 -97.2 -69.8 145.1 -24.1 -20.5 38.0 32 32 X T - 0 0 82 -2,-0.2 2,-0.4 -16,-0.1 -16,-0.2 -0.511 42.5-148.6 -68.8 127.6 -23.7 -20.7 34.2 33 33 X A E -C 15 0A 39 -18,-3.2 -18,-2.1 -2,-0.3 2,-0.5 -0.828 14.7-171.5-106.2 140.3 -21.8 -17.6 32.9 34 34 X T E +C 14 0A 95 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.2 -0.947 19.3 156.7-131.9 110.0 -22.2 -16.0 29.5 35 35 X Q E -C 13 0A 95 -22,-2.2 -22,-2.8 -2,-0.5 2,-0.5 -0.965 46.5-116.1-130.5 150.7 -19.7 -13.4 28.5 36 36 X I E -C 12 0A 146 -2,-0.3 2,-0.4 -24,-0.2 -24,-0.2 -0.730 47.9-175.3 -72.3 126.8 -18.5 -11.9 25.3 37 37 X A E -C 11 0A 11 -26,-3.2 -26,-2.2 -2,-0.5 2,-0.2 -0.969 27.6-124.6-131.2 145.8 -14.8 -12.8 25.4 38 38 X D E -C 10 0A 18 -2,-0.4 -28,-0.3 -28,-0.2 75,-0.3 -0.601 15.5-147.6 -78.5 152.9 -11.9 -12.0 23.3 39 39 X F - 0 0 2 -30,-3.6 72,-0.4 -2,-0.2 -29,-0.2 -0.009 65.6 -67.7-113.6 28.2 -10.1 -15.1 22.0 40 40 X G - 0 0 30 -31,-0.2 -33,-0.1 1,-0.2 -30,-0.1 0.830 64.2-166.9 95.7 36.1 -6.6 -13.6 21.9 41 41 X S - 0 0 0 -32,-0.5 24,-3.1 23,-0.1 2,-0.3 -0.332 11.9-172.9 -61.1 137.3 -7.0 -11.1 19.2 42 42 X K E -AE 7 64A 38 -35,-2.5 -35,-1.3 22,-0.3 2,-0.4 -0.913 20.0-156.3-134.5 155.2 -3.6 -9.9 18.2 43 43 X I E +AE 6 63A 47 20,-2.3 20,-3.0 -2,-0.3 2,-0.3 -0.992 21.4 177.7-133.3 138.5 -2.1 -7.2 15.9 44 44 X G E -AE 5 62A 0 -39,-3.9 -39,-3.5 -2,-0.4 2,-0.4 -0.984 23.8-160.1-144.3 150.7 1.4 -7.5 14.5 45 45 X F E +AE 4 61A 49 16,-2.5 16,-4.1 -2,-0.3 2,-0.3 -0.993 24.7 164.8-125.9 135.8 3.8 -5.8 12.3 46 46 X K E -AE 3 60A 78 -43,-1.9 -43,-2.0 -2,-0.4 2,-0.3 -0.950 10.0-171.8-146.1 165.0 6.7 -7.7 10.8 47 47 X G E -AE 2 59A 4 12,-2.6 12,-2.0 -2,-0.3 2,-0.3 -0.961 12.2-154.0-157.0 166.9 9.1 -7.2 8.1 48 48 X Q E - E 0 58A 99 -47,-1.5 2,-0.4 -2,-0.3 10,-0.2 -0.973 4.4-170.4-142.9 150.9 11.7 -8.6 6.0 49 49 X E E - E 0 57A 105 8,-2.2 8,-2.3 -2,-0.3 2,-0.3 -0.946 24.7-129.6-143.3 127.3 14.6 -7.1 4.2 50 50 X D E - E 0 56A 110 -2,-0.4 6,-0.3 6,-0.2 -2,-0.0 -0.594 15.7-168.8 -69.0 133.5 16.7 -9.1 1.7 51 51 X L - 0 0 64 4,-4.3 5,-0.2 -2,-0.3 -1,-0.2 0.364 39.1-124.0-104.5 -2.5 20.3 -8.5 2.7 52 52 X G S S+ 0 0 63 3,-0.9 4,-0.1 1,-0.1 -2,-0.1 0.330 91.8 97.6 86.6 -3.8 21.3 -10.1 -0.5 53 53 X N S S- 0 0 137 2,-0.2 3,-0.1 0, 0.0 -1,-0.1 0.151 123.3 -84.2 -87.7 19.4 23.6 -12.8 0.7 54 54 X G S S+ 0 0 61 1,-0.4 2,-0.3 31,-0.1 32,-0.1 0.581 106.6 126.8 74.7 13.3 20.5 -14.9 0.4 55 55 X M - 0 0 43 30,-0.2 -4,-4.3 31,-0.1 -3,-0.9 -0.782 45.2-164.3-103.4 144.2 20.1 -13.4 3.8 56 56 X K E -EF 50 84A 47 28,-3.5 28,-3.6 -2,-0.3 2,-0.4 -0.987 18.0-139.9-123.5 143.9 17.1 -11.5 5.3 57 57 X A E -EF 49 83A 19 -8,-2.3 -8,-2.2 -2,-0.4 2,-0.4 -0.769 32.6-173.9 -79.8 139.9 16.7 -9.3 8.3 58 58 X I E +EF 48 82A 13 24,-3.0 24,-2.2 -2,-0.4 2,-0.3 -0.990 10.5 170.0-132.6 147.6 13.4 -10.2 9.8 59 59 X W E -EF 47 81A 84 -12,-2.0 -12,-2.6 -2,-0.4 2,-0.3 -0.988 8.6-172.2-149.4 160.5 11.6 -8.6 12.6 60 60 X Q E -EF 46 80A 15 20,-2.3 20,-1.9 -2,-0.3 2,-0.5 -0.985 10.9-162.7-148.5 143.8 8.2 -8.8 14.0 61 61 X L E -E 45 0A 63 -16,-4.1 -16,-2.5 -2,-0.3 2,-0.4 -0.958 18.9-176.3-124.3 115.3 6.4 -6.9 16.6 62 62 X E E -EF 44 77A 17 15,-0.7 15,-2.6 -2,-0.5 2,-0.4 -0.932 1.2-172.9-119.2 134.8 3.4 -8.8 17.9 63 63 X Q E -E 43 0A 7 -20,-3.0 -20,-2.3 -2,-0.4 2,-0.4 -0.930 29.7-120.1-121.9 140.2 0.9 -7.4 20.4 64 64 X K E +E 42 0A 82 -2,-0.4 -22,-0.3 -22,-0.2 12,-0.1 -0.653 35.5 177.7 -64.2 133.7 -2.0 -8.8 22.2 65 65 X A - 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