==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 15-OCT-12 3VZU . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN; . 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) . 17924.0 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 . 188 55.1 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 . 7 2.1 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 0.3 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 . 19 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.9 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 3 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 . 5 0 1 1 0 3 2 2 1 3 1 1 2 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 0 227 0, 0.0 47,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 94.9 44.0 15.7 -4.4 2 2 X V E -A 47 0A 97 45,-0.2 2,-0.4 47,-0.0 45,-0.2 -0.863 360.0-138.2-110.6 141.0 42.8 16.2 -0.9 3 3 X T E -A 46 0A 65 43,-2.9 43,-2.2 -2,-0.3 2,-0.4 -0.878 6.3-149.3-117.9 143.4 39.4 17.7 -0.2 4 4 X L E +A 45 0A 90 -2,-0.4 2,-0.2 41,-0.2 41,-0.2 -0.827 32.4 144.7-101.6 139.7 37.9 20.3 2.2 5 5 X Y E +A 44 0A 23 39,-2.0 39,-1.5 -2,-0.4 2,-0.3 -0.856 5.4 134.0-155.0-170.9 34.4 20.1 3.5 6 6 X G E -A 43 0A 3 335,-1.3 335,-1.2 37,-0.3 2,-0.3 -0.997 39.4-103.7 156.4-154.9 32.0 20.6 6.4 7 7 X T E -AB 42 340A 6 35,-1.9 35,-1.7 -2,-0.3 2,-0.4 -0.941 16.1-154.8-162.9 157.0 28.7 22.1 7.4 8 8 X I E + B 0 339A 66 331,-0.6 331,-2.4 -2,-0.3 2,-0.3 -0.983 21.8 165.7-140.0 135.8 27.7 25.3 9.1 9 9 X K E + B 0 338A 20 -2,-0.4 30,-2.3 329,-0.2 32,-0.4 -0.946 4.3 151.9-158.2 134.7 24.4 25.5 11.0 10 10 X A E +CB 38 337A 23 327,-1.8 327,-2.5 -2,-0.3 2,-0.3 -0.931 6.6 155.0-150.7 168.0 22.9 27.9 13.5 11 11 X G E -CB 37 336A 9 26,-0.9 26,-2.9 -2,-0.3 2,-0.5 -0.943 44.2 -91.6 177.1 169.2 19.5 29.0 14.5 12 12 X V E -CB 36 335A 60 323,-1.9 323,-1.4 -2,-0.3 2,-0.4 -0.893 38.4-163.6-102.9 131.2 17.6 30.5 17.3 13 13 X E E -CB 35 334A 4 22,-3.2 22,-2.8 -2,-0.5 2,-0.4 -0.893 4.5-154.8-114.0 147.2 15.9 28.0 19.7 14 14 X V E +CB 34 333A 46 319,-2.7 319,-1.7 -2,-0.4 2,-0.3 -0.959 22.5 166.0-120.6 138.1 13.2 28.7 22.2 15 15 X S E -CB 33 332A 20 18,-2.3 18,-2.6 -2,-0.4 2,-0.3 -0.987 22.6-177.9-153.7 161.4 12.6 26.6 25.3 16 16 X R E - B 0 331A 65 315,-1.3 315,-1.8 -2,-0.3 2,-0.4 -0.970 16.5-148.0-155.4 146.6 10.9 26.2 28.8 17 17 X V E - B 0 330A 36 14,-0.5 13,-2.4 -2,-0.3 2,-0.8 -0.971 4.0-152.1-123.7 136.8 11.1 23.4 31.3 18 18 X K E +DB 29 329A 76 311,-3.6 311,-2.2 -2,-0.4 2,-0.4 -0.905 35.7 149.8-108.6 101.4 8.3 22.3 33.7 19 19 X D E > - B 0 328A 22 9,-2.4 4,-0.8 -2,-0.8 309,-0.1 -0.871 31.5-167.1-139.6 102.7 10.1 20.9 36.7 20 20 X A T >4 S+ 0 0 62 307,-0.6 3,-0.7 -2,-0.4 8,-0.2 0.912 86.7 57.0 -51.0 -49.0 8.4 21.2 40.2 21 21 X G T 34 S+ 0 0 66 304,-0.3 -1,-0.2 306,-0.2 7,-0.1 0.893 117.4 23.0 -52.9 -58.5 11.7 20.2 41.9 22 22 X T T 34 S+ 0 0 106 6,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.196 112.8 73.5-101.9 18.6 14.2 22.8 40.7 23 23 X Y << - 0 0 93 -4,-0.8 7,-0.1 -3,-0.7 6,-0.0 -0.999 48.9-179.8-130.7 129.1 11.9 25.5 39.8 24 24 X K + 0 0 206 -2,-0.4 3,-0.2 5,-0.1 -1,-0.1 0.450 50.7 110.2-105.5 -6.5 10.1 27.5 42.6 25 25 X A S > S- 0 0 36 1,-0.2 3,-1.9 4,-0.2 -2,-0.1 -0.060 90.3 -51.5 -62.8 170.9 8.2 29.8 40.2 26 26 X Q G > S- 0 0 180 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 -0.220 122.2 -10.8 -49.2 123.2 4.4 29.3 39.9 27 27 X G G 3 S- 0 0 69 1,-0.3 -1,-0.3 -3,-0.2 -7,-0.1 0.638 120.2 -67.4 62.0 18.2 3.5 25.7 39.3 28 28 X G G < S+ 0 0 5 -3,-1.9 -9,-2.4 1,-0.2 2,-0.3 0.467 91.4 145.3 82.2 3.3 7.0 24.5 38.6 29 29 X K B < -D 18 0A 100 -3,-1.6 -1,-0.2 -11,-0.2 -11,-0.2 -0.573 38.5-145.6 -82.6 134.7 7.4 26.4 35.3 30 30 X S - 0 0 15 -13,-2.4 -7,-0.1 -2,-0.3 -1,-0.0 -0.318 31.5 -96.3 -83.5 171.0 10.7 27.8 34.2 31 31 X K - 0 0 171 -2,-0.1 2,-0.6 1,-0.1 -14,-0.5 -0.257 48.3 -97.1 -76.0 179.7 10.9 31.1 32.3 32 32 X T - 0 0 78 -16,-0.1 2,-0.5 -3,-0.1 -16,-0.2 -0.908 35.5-148.0-106.5 117.4 11.1 30.7 28.5 33 33 X A E -C 15 0A 49 -18,-2.6 -18,-2.3 -2,-0.6 2,-0.6 -0.731 9.5-167.0 -89.3 127.3 14.7 30.9 27.1 34 34 X T E +C 14 0A 103 -2,-0.5 2,-0.3 -20,-0.2 -20,-0.2 -0.917 21.1 168.6-115.4 105.5 15.3 32.4 23.6 35 35 X Q E -C 13 0A 102 -22,-2.8 -22,-3.2 -2,-0.6 2,-0.4 -0.918 39.5-136.3-127.0 147.9 18.8 31.7 22.2 36 36 X I E +C 12 0A 140 -2,-0.3 2,-0.3 -24,-0.3 -24,-0.3 -0.742 44.0 178.0 -85.5 140.3 20.9 31.9 19.0 37 37 X A E -C 11 0A 18 -26,-2.9 -26,-0.9 -2,-0.4 2,-0.1 -0.951 35.1-121.7-156.5 133.8 22.8 28.6 19.0 38 38 X D E -C 10 0A 22 -2,-0.3 75,-0.4 -28,-0.2 -28,-0.3 -0.481 20.0-150.9 -68.0 141.6 25.3 26.7 16.8 39 39 X F - 0 0 11 -30,-2.3 72,-0.5 73,-0.2 -29,-0.2 0.165 65.8 -63.2-100.5 14.7 23.8 23.3 15.8 40 40 X G - 0 0 27 -31,-0.4 26,-0.1 70,-0.1 -30,-0.1 0.808 62.7-166.8 108.4 43.5 27.1 21.6 15.4 41 41 X S - 0 0 2 -32,-0.4 24,-2.3 23,-0.1 2,-0.3 -0.262 15.1-179.6 -58.3 151.8 29.0 23.2 12.7 42 42 X K E -AE 7 64A 35 -35,-1.7 -35,-1.9 22,-0.3 2,-0.3 -0.941 19.8-159.7-149.2 167.1 32.0 21.2 11.6 43 43 X I E +AE 6 63A 54 20,-1.7 20,-2.0 -2,-0.3 -37,-0.3 -0.893 15.9 178.6-158.0 122.9 34.9 21.3 9.1 44 44 X G E -AE 5 62A 0 -39,-1.5 -39,-2.0 -2,-0.3 2,-0.4 -0.684 24.6-147.7-123.3 176.5 37.0 18.5 7.8 45 45 X F E +AE 4 61A 64 16,-2.5 16,-1.2 -2,-0.2 2,-0.3 -0.909 27.3 170.3-143.6 107.6 39.8 17.5 5.5 46 46 X K E +AE 3 60A 85 -43,-2.2 -43,-2.9 -2,-0.4 2,-0.3 -0.787 2.3 168.2-116.4 163.9 39.7 14.1 3.9 47 47 X G E -AE 2 59A 9 12,-2.3 12,-1.8 -2,-0.3 2,-0.3 -0.964 14.0-166.8-162.6 174.5 41.8 12.6 1.1 48 48 X Q E - E 0 58A 113 -47,-0.7 2,-0.3 -2,-0.3 10,-0.2 -0.932 4.9-160.2-169.9 149.3 42.7 9.5 -0.7 49 49 X E E - E 0 57A 128 8,-1.5 8,-2.3 -2,-0.3 2,-0.3 -0.980 28.1-116.2-134.1 143.9 45.3 8.2 -3.1 50 50 X D E - E 0 56A 101 -2,-0.3 6,-0.3 6,-0.2 4,-0.1 -0.641 19.8-155.3 -83.0 141.0 45.1 5.2 -5.4 51 51 X L - 0 0 76 4,-3.9 5,-0.2 2,-0.3 3,-0.1 0.442 45.0 -93.2 -99.1 -0.5 47.6 2.6 -4.6 52 52 X G S S+ 0 0 71 1,-0.6 2,-0.2 3,-0.4 4,-0.1 -0.184 103.5 42.8 122.4 -44.5 48.1 0.7 -7.9 53 53 X N S S- 0 0 105 2,-0.2 -1,-0.6 0, 0.0 -2,-0.3 -0.284 125.4 -52.2-113.4-156.9 45.7 -2.1 -7.7 54 54 X G S S+ 0 0 51 -2,-0.2 2,-0.1 -3,-0.1 -2,-0.0 0.664 107.4 111.8 -57.0 -11.7 42.1 -1.9 -6.4 55 55 X M - 0 0 44 30,-0.1 -4,-3.9 -5,-0.1 -3,-0.4 -0.370 43.7-176.6 -76.0 140.8 43.5 -0.3 -3.3 56 56 X K E -EF 50 84A 66 28,-2.8 28,-2.6 -6,-0.3 2,-0.3 -0.996 20.9-138.2-133.0 129.1 43.2 3.2 -2.0 57 57 X A E -EF 49 83A 29 -8,-2.3 -8,-1.5 -2,-0.4 2,-0.3 -0.686 31.1-169.4 -82.6 143.1 44.8 4.8 1.0 58 58 X I E +EF 48 82A 23 24,-2.9 24,-3.2 -2,-0.3 2,-0.3 -0.974 15.0 164.5-137.4 150.7 42.3 7.0 2.9 59 59 X W E -EF 47 81A 87 -12,-1.8 -12,-2.3 -2,-0.3 2,-0.3 -0.984 8.6-173.3-157.2 162.5 42.3 9.6 5.8 60 60 X Q E -EF 46 80A 20 20,-2.2 20,-2.2 -2,-0.3 2,-0.4 -0.979 11.3-166.8-158.2 150.0 40.2 12.3 7.3 61 61 X L E +E 45 0A 62 -16,-1.2 -16,-2.5 -2,-0.3 2,-0.4 -0.960 20.4 176.4-140.4 116.4 40.5 15.0 10.0 62 62 X E E -EF 44 77A 22 15,-0.6 15,-2.1 -2,-0.4 2,-0.3 -0.996 6.7-167.6-129.1 133.9 37.2 16.5 11.1 63 63 X Q E -E 43 0A 10 -20,-2.0 -20,-1.7 -2,-0.4 2,-0.2 -0.920 29.5-112.2-125.2 150.1 36.7 19.0 13.9 64 64 X K E +E 42 0A 81 -2,-0.3 2,-0.4 -22,-0.2 -22,-0.3 -0.567 40.2 176.9 -70.1 136.8 33.9 20.5 15.8 65 65 X A - 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