==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 28-MAY-09 2WJQ . COMPND 2 MOLECULE: PROBABLE N-ACETYLNEURAMINIC ACID OUTER MEMBRANE C . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.WIRTH,G.CONDEMINE,T.SCHIRMER,C.M.PENEFF . 205 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 81.5 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 . 136 66.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 . 18 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 4 0 0 0 2 1 1 3 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 A A 0 0 41 0, 0.0 205,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.1 33.9 -28.8 69.2 2 2 A T E -AB 23 205A 52 21,-3.0 21,-2.3 203,-0.2 2,-0.5 -0.954 360.0-156.7-126.8 137.7 31.0 -27.5 67.2 3 3 A L E -AB 22 204A 48 201,-2.9 201,-3.0 -2,-0.4 2,-0.4 -0.962 13.9-166.5-108.1 131.8 28.9 -28.9 64.3 4 4 A D E -AB 21 203A 23 17,-3.0 17,-2.6 -2,-0.5 2,-0.4 -0.981 5.3-172.5-120.8 128.7 27.1 -26.4 62.2 5 5 A V E +AB 20 202A 63 197,-2.5 197,-2.2 -2,-0.4 2,-0.4 -0.992 13.6 174.7-122.3 127.2 24.4 -27.4 59.7 6 6 A R E -AB 19 201A 26 13,-2.4 13,-2.6 -2,-0.4 2,-0.4 -0.996 17.4-168.6-140.6 140.0 23.1 -24.8 57.3 7 7 A G E +AB 18 200A 32 193,-2.8 193,-2.6 -2,-0.4 2,-0.3 -0.969 17.9 173.8-123.8 143.6 20.7 -24.6 54.3 8 8 A G E -AB 17 199A 8 9,-3.0 9,-2.7 -2,-0.4 2,-0.4 -0.965 23.5-147.7-146.9 160.8 20.3 -21.6 52.0 9 9 A Y E -AB 16 198A 59 189,-2.2 189,-2.4 -2,-0.3 2,-0.5 -1.000 10.1-153.5-128.5 134.9 18.7 -20.3 48.9 10 10 A R E >> -AB 15 197A 47 5,-2.8 5,-1.5 -2,-0.4 4,-0.7 -0.944 4.8-158.1-109.0 123.4 20.2 -17.8 46.5 11 11 A S T 45S+ 0 0 34 185,-3.0 184,-0.1 -2,-0.5 -1,-0.1 0.780 86.3 45.9 -74.1 -33.4 17.5 -15.8 44.6 12 12 A G T 45S+ 0 0 6 184,-0.3 -1,-0.2 1,-0.2 183,-0.1 0.950 121.5 35.5 -77.6 -47.9 19.6 -14.6 41.6 13 13 A S T 45S- 0 0 6 2,-0.1 -2,-0.2 180,-0.1 -1,-0.2 0.513 99.7-133.3 -81.8 -6.7 21.2 -17.9 40.8 14 14 A H T <5 + 0 0 59 -4,-0.7 28,-2.5 1,-0.2 2,-0.4 0.950 57.4 144.0 51.9 52.8 18.1 -20.0 41.8 15 15 A A E < -AC 10 41A 0 -5,-1.5 -5,-2.8 26,-0.2 2,-0.4 -0.979 45.9-147.0-129.2 136.3 20.4 -22.3 43.8 16 16 A Y E -AC 9 40A 130 24,-2.9 24,-2.6 -2,-0.4 2,-0.3 -0.793 21.5-170.1 -89.9 142.5 20.0 -24.2 47.0 17 17 A E E -AC 8 39A 18 -9,-2.7 -9,-3.0 -2,-0.4 2,-0.4 -0.977 9.6-168.0-130.7 151.8 23.1 -24.7 49.1 18 18 A T E -AC 7 38A 66 20,-1.4 20,-2.5 -2,-0.3 2,-0.4 -0.980 4.5-164.6-129.9 147.8 23.9 -26.7 52.2 19 19 A R E -AC 6 37A 28 -13,-2.6 -13,-2.4 -2,-0.4 2,-0.4 -0.999 10.0-171.0-130.0 137.1 26.9 -26.6 54.5 20 20 A L E +AC 5 36A 95 16,-2.2 16,-2.2 -2,-0.4 2,-0.4 -0.997 21.6 176.2-120.0 123.3 28.2 -29.1 57.1 21 21 A K E -AC 4 35A 42 -17,-2.6 -17,-3.0 -2,-0.4 2,-0.4 -0.992 17.7-166.8-134.1 132.1 31.0 -27.5 59.2 22 22 A V E +AC 3 34A 63 12,-2.8 12,-2.5 -2,-0.4 2,-0.3 -0.985 17.0 174.0-120.8 133.4 33.0 -28.8 62.2 23 23 A S E -AC 2 33A 16 -21,-2.3 -21,-3.0 -2,-0.4 2,-0.3 -0.979 9.7-179.2-137.1 147.0 35.2 -26.5 64.2 24 24 A E E - C 0 32A 67 8,-2.4 8,-2.5 -2,-0.3 2,-0.3 -0.994 8.5-161.0-145.4 148.3 37.2 -26.6 67.4 25 25 A G E - C 0 31A 36 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.925 12.3-149.8-122.0 152.1 39.4 -24.2 69.4 26 26 A W > - 0 0 133 4,-2.5 3,-2.2 -2,-0.3 -2,-0.0 -0.874 26.8-115.7-122.3 155.6 42.1 -25.0 72.0 27 27 A Q T 3 S+ 0 0 117 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.810 113.3 64.5 -59.1 -33.1 43.4 -23.3 75.2 28 28 A N T 3 S- 0 0 104 1,-0.1 -1,-0.3 2,-0.0 25,-0.0 0.511 123.2-102.6 -69.5 -4.4 46.8 -22.9 73.5 29 29 A G S < S+ 0 0 18 -3,-2.2 24,-1.9 1,-0.3 -2,-0.1 0.270 77.3 131.8 106.6 -8.7 45.1 -20.6 70.9 30 30 A W E - D 0 52A 126 22,-0.2 -4,-2.5 20,-0.0 -1,-0.3 -0.379 30.7-174.9 -72.3 155.6 44.8 -22.8 67.9 31 31 A W E -CD 25 51A 70 20,-2.0 20,-2.3 -6,-0.2 2,-0.3 -0.984 2.5-179.4-150.7 142.6 41.5 -23.1 66.0 32 32 A A E -CD 24 50A 28 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.3 -0.997 3.6-178.6-147.9 147.6 40.6 -25.3 63.0 33 33 A S E -CD 23 49A 6 16,-2.5 16,-2.6 -2,-0.3 2,-0.3 -0.991 6.2-170.2-144.1 150.8 37.6 -25.9 60.9 34 34 A M E +CD 22 48A 101 -12,-2.5 -12,-2.8 -2,-0.3 2,-0.3 -0.994 15.8 172.6-139.2 142.7 36.6 -28.2 58.0 35 35 A E E -CD 21 47A 20 12,-2.5 12,-2.2 -2,-0.3 2,-0.4 -0.992 24.7-148.5-150.0 159.2 33.5 -28.0 55.9 36 36 A S E -CD 20 46A 47 -16,-2.2 -16,-2.2 -2,-0.3 2,-0.4 -0.992 17.0-165.4-126.2 134.2 31.7 -29.3 52.9 37 37 A N E -CD 19 45A 14 8,-2.1 8,-2.2 -2,-0.4 2,-0.3 -0.956 0.5-163.8-121.1 138.8 29.4 -27.2 50.7 38 38 A T E -C 18 0A 49 -20,-2.5 -20,-1.4 -2,-0.4 2,-0.4 -0.896 1.3-165.0-120.9 152.2 26.8 -28.4 48.2 39 39 A W E -C 17 0A 104 -2,-0.3 2,-0.4 -22,-0.2 -22,-0.2 -0.991 6.6-179.8-142.1 124.9 25.2 -26.3 45.5 40 40 A N E -C 16 0A 105 -24,-2.6 -24,-2.9 -2,-0.4 2,-0.3 -0.963 15.4-150.9-133.3 114.0 22.1 -27.3 43.4 41 41 A T E C 15 0A 82 -2,-0.4 -26,-0.2 -26,-0.3 -27,-0.1 -0.653 360.0 360.0 -80.8 135.9 20.5 -25.1 40.7 42 42 A I 0 0 105 -28,-2.5 -1,-0.0 -2,-0.3 -2,-0.0 -0.573 360.0 360.0 -82.5 360.0 16.8 -25.6 40.3 43 ! 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 44 53 A N 0 0 99 0, 0.0 28,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.6 30.5 -29.3 45.8 45 54 A D E -D 37 0A 33 -8,-2.2 -8,-2.1 26,-0.1 2,-0.4 -0.939 360.0-148.5-137.3 166.0 33.5 -27.9 47.6 46 55 A V E -DE 36 70A 59 24,-2.2 24,-3.1 -2,-0.3 2,-0.4 -0.985 14.4-172.5-130.6 139.8 35.6 -28.6 50.6 47 56 A Q E -DE 35 69A 34 -12,-2.2 -12,-2.5 -2,-0.4 2,-0.4 -0.999 6.5-170.5-133.1 144.0 37.4 -26.0 52.8 48 57 A V E -DE 34 68A 42 20,-2.7 20,-3.3 -2,-0.4 2,-0.4 -0.984 9.8-174.6-130.8 138.3 39.8 -26.4 55.6 49 58 A E E +DE 33 67A 29 -16,-2.6 -16,-2.5 -2,-0.4 2,-0.3 -0.996 7.2 176.8-138.1 137.4 40.9 -23.5 57.8 50 59 A V E +DE 32 66A 51 16,-2.2 16,-2.6 -2,-0.4 2,-0.3 -0.996 8.5 161.1-136.9 145.9 43.4 -23.2 60.6 51 60 A N E -DE 31 65A 12 -20,-2.3 -20,-2.0 -2,-0.3 2,-0.4 -0.969 24.7-136.7-153.0 169.1 44.6 -20.2 62.6 52 61 A Y E -D 30 0A 86 12,-1.8 2,-0.5 -2,-0.3 -22,-0.2 -0.999 17.8-128.5-133.8 138.2 46.3 -19.2 65.8 53 62 A A - 0 0 13 -24,-1.9 2,-0.7 -2,-0.4 10,-0.2 -0.713 15.6-168.5 -90.7 118.9 45.5 -16.5 68.4 54 63 A I E -F 62 0A 73 8,-2.9 8,-2.5 -2,-0.5 2,-0.7 -0.941 18.3-144.6-103.2 109.8 48.3 -14.2 69.4 55 64 A K E +F 61 0A 119 -2,-0.7 6,-0.2 6,-0.2 3,-0.1 -0.671 21.3 179.1 -78.7 111.8 47.0 -12.3 72.4 56 65 A L S S- 0 0 104 4,-2.0 2,-0.2 -2,-0.7 5,-0.2 0.820 70.3 -34.7 -81.5 -35.7 48.3 -8.7 72.3 57 66 A D S S- 0 0 85 3,-1.5 -1,-0.2 0, 0.0 0, 0.0 -0.869 86.3 -61.9-159.2-162.4 46.5 -7.7 75.5 58 67 A D S S+ 0 0 96 -2,-0.2 3,-0.0 1,-0.2 28,-0.0 0.792 132.7 25.8 -61.3 -29.7 43.3 -8.6 77.3 59 68 A Q S S+ 0 0 86 1,-0.1 27,-3.1 26,-0.1 2,-0.4 0.646 109.8 71.7-111.4 -19.6 41.1 -7.2 74.5 60 69 A W E + G 0 85A 91 25,-0.2 -4,-2.0 26,-0.0 -3,-1.5 -0.873 50.6 173.6-111.8 134.4 43.2 -7.4 71.3 61 70 A T E -FG 55 84A 11 23,-2.4 23,-3.2 -2,-0.4 2,-0.4 -0.999 16.0-157.2-138.5 136.2 44.1 -10.6 69.3 62 71 A V E -FG 54 83A 31 -8,-2.5 -8,-2.9 -2,-0.4 21,-0.2 -0.965 9.9-167.0-113.5 132.7 45.8 -11.2 66.0 63 72 A R E - G 0 82A 74 19,-3.4 19,-1.9 -2,-0.4 2,-0.2 -0.869 4.5-166.4-124.0 95.4 45.2 -14.4 64.2 64 73 A P E + G 0 81A 55 0, 0.0 -12,-1.8 0, 0.0 2,-0.3 -0.589 32.6 147.3 -70.0 143.8 47.4 -15.4 61.3 65 74 A G E -EG 51 80A 18 15,-2.7 15,-2.6 -14,-0.2 2,-0.3 -0.945 39.2-124.2-160.6-179.7 45.8 -18.2 59.4 66 75 A M E -EG 50 79A 83 -16,-2.6 -16,-2.2 -2,-0.3 2,-0.5 -0.978 5.8-160.7-146.5 138.4 45.1 -20.1 56.2 67 76 A L E -EG 49 78A 7 11,-1.7 11,-2.7 -2,-0.3 2,-0.4 -0.969 11.4-165.6-111.2 119.8 42.0 -21.2 54.3 68 77 A T E -EG 48 77A 26 -20,-3.3 -20,-2.7 -2,-0.5 2,-0.4 -0.946 7.4-168.0-109.0 133.6 42.4 -24.0 51.7 69 78 A H E -EG 47 76A 21 7,-3.0 7,-2.6 -2,-0.4 2,-0.4 -0.973 6.4-167.4-130.2 127.7 39.6 -24.6 49.3 70 79 A F E +EG 46 75A 90 -24,-3.1 -24,-2.2 -2,-0.4 2,-0.3 -0.969 21.6 143.5-118.8 131.8 39.1 -27.5 46.9 71 80 A S E > - G 0 74A 41 3,-1.5 3,-1.3 -2,-0.4 -26,-0.1 -0.889 65.2 -76.2-150.7 178.1 36.5 -27.6 44.0 72 81 A S T 3 S+ 0 0 124 -28,-0.4 3,-0.1 -2,-0.3 -27,-0.1 0.781 126.0 54.6 -52.8 -34.2 36.2 -28.9 40.5 73 82 A N T 3 S- 0 0 107 1,-0.2 2,-0.3 31,-0.0 -1,-0.3 0.756 117.9 -96.7 -74.8 -23.8 38.5 -26.1 39.1 74 83 A G E < -G 71 0A 22 -3,-1.3 -3,-1.5 30,-0.0 2,-0.4 -0.960 55.5 -30.2 143.3-159.6 41.4 -26.8 41.4 75 84 A T E -G 70 0A 40 -2,-0.3 28,-2.9 -5,-0.2 2,-0.4 -0.780 41.8-170.4-102.3 141.0 42.9 -25.7 44.7 76 85 A R E -GH 69 102A 45 -7,-2.6 -7,-3.0 -2,-0.4 2,-0.4 -0.995 6.9-157.8-127.8 134.0 42.8 -22.2 46.2 77 86 A Y E -GH 68 101A 87 24,-2.8 24,-3.2 -2,-0.4 -9,-0.2 -0.915 4.0-167.8-112.2 142.6 44.9 -21.1 49.2 78 87 A G E -G 67 0A 0 -11,-2.7 -11,-1.7 -2,-0.4 22,-0.2 -0.676 3.5-174.3-133.6 76.8 43.9 -18.1 51.4 79 88 A P E +G 66 0A 57 0, 0.0 20,-2.3 0, 0.0 2,-0.3 -0.443 23.8 167.5 -61.8 143.6 46.7 -17.0 53.8 80 89 A Y E -GI 65 98A 11 -15,-2.6 -15,-2.7 18,-0.2 2,-0.4 -0.978 37.7-141.7-154.0 166.1 45.3 -14.3 56.1 81 90 A V E -GI 64 97A 77 16,-2.0 16,-2.2 -2,-0.3 2,-0.4 -0.991 20.0-167.3-132.1 127.1 45.7 -12.1 59.2 82 91 A K E -GI 63 96A 41 -19,-1.9 -19,-3.4 -2,-0.4 2,-0.5 -0.952 5.5-158.4-112.9 134.6 42.7 -11.3 61.3 83 92 A L E -GI 62 95A 60 12,-3.5 12,-2.4 -2,-0.4 2,-0.4 -0.958 14.3-170.1-108.9 129.6 42.7 -8.6 64.0 84 93 A S E -GI 61 94A 4 -23,-3.2 -23,-2.4 -2,-0.5 2,-0.5 -0.952 11.3-165.4-125.4 141.8 40.0 -8.9 66.7 85 94 A W E -GI 60 93A 86 8,-3.2 8,-2.6 -2,-0.4 2,-1.6 -0.971 11.9-157.5-128.3 112.7 38.9 -6.5 69.4 86 95 A D E + I 0 92A 74 -27,-3.1 6,-0.2 -2,-0.5 -26,-0.0 -0.698 21.8 176.1 -82.7 82.4 36.7 -7.6 72.3 87 96 A A - 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