==== 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 2WJR . 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 . 204 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 82.8 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 . 134 65.7 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 . 22 10.8 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 . 0 4 0 0 0 2 0 4 1 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 1 0 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 2 A A 0 0 51 0, 0.0 21,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 147.5 3.5 -13.9 -32.2 2 3 A L E -AB 21 203A 71 201,-2.1 201,-2.8 19,-0.2 2,-0.4 -0.977 360.0-168.2-117.2 129.9 2.7 -11.7 -29.3 3 4 A D E -AB 20 202A 22 17,-3.3 17,-3.1 -2,-0.5 2,-0.4 -0.976 6.0-173.7-122.3 134.6 0.6 -13.0 -26.4 4 5 A V E +AB 19 201A 55 197,-2.0 197,-1.9 -2,-0.4 2,-0.4 -0.994 13.0 176.8-125.6 129.5 -1.0 -11.0 -23.6 5 6 A R E -AB 18 200A 19 13,-2.5 13,-2.6 -2,-0.4 2,-0.4 -0.998 17.1-165.1-142.6 135.3 -2.7 -12.8 -20.8 6 7 A G E -AB 17 199A 27 193,-3.0 193,-2.6 -2,-0.4 2,-0.3 -0.946 18.1-177.8-116.0 142.7 -4.4 -11.8 -17.5 7 8 A G E -AB 16 198A 7 9,-2.6 9,-2.5 -2,-0.4 2,-0.4 -0.991 20.9-150.2-144.3 148.8 -5.2 -14.2 -14.8 8 9 A Y E -AB 15 197A 65 189,-2.8 189,-2.4 -2,-0.3 2,-0.5 -0.978 10.4-156.0-116.6 131.0 -6.8 -14.5 -11.3 9 10 A R E >> -AB 14 196A 47 5,-3.2 5,-1.8 -2,-0.4 4,-0.8 -0.942 2.0-160.9-109.0 122.4 -5.7 -17.1 -8.8 10 11 A S T 45S+ 0 0 37 185,-2.5 184,-0.1 -2,-0.5 -1,-0.1 0.762 86.8 41.0 -76.8 -34.7 -8.4 -18.0 -6.2 11 12 A G T 45S+ 0 0 11 184,-0.4 -1,-0.2 1,-0.2 183,-0.1 0.904 122.2 39.6 -80.9 -45.9 -6.3 -19.5 -3.4 12 13 A S T 45S- 0 0 8 2,-0.1 29,-0.3 180,-0.1 -2,-0.2 0.623 99.6-138.8 -74.6 -13.6 -3.5 -17.0 -3.6 13 14 A H T <5 + 0 0 60 -4,-0.8 28,-2.0 1,-0.2 2,-0.3 0.971 58.2 133.5 49.2 57.6 -6.0 -14.2 -4.1 14 15 A A E < -AC 9 40A 0 -5,-1.8 -5,-3.2 26,-0.2 2,-0.4 -0.969 53.6-137.0-142.2 150.9 -3.7 -12.8 -6.7 15 16 A Y E -AC 8 39A 128 24,-2.6 24,-3.2 -2,-0.3 2,-0.4 -0.897 20.6-172.0-107.1 139.6 -3.6 -11.4 -10.3 16 17 A E E -AC 7 38A 13 -9,-2.5 -9,-2.6 -2,-0.4 2,-0.4 -0.982 7.2-162.2-131.6 145.3 -0.9 -12.2 -12.8 17 18 A T E -AC 6 37A 58 20,-0.8 20,-2.5 -2,-0.4 2,-0.4 -0.976 4.5-163.3-124.5 137.2 -0.1 -10.9 -16.2 18 19 A R E -AC 5 36A 32 -13,-2.6 -13,-2.5 -2,-0.4 2,-0.5 -0.981 6.0-171.9-119.7 134.6 2.0 -12.5 -18.9 19 20 A L E +AC 4 35A 70 16,-2.1 16,-2.2 -2,-0.4 2,-0.4 -0.997 19.7 178.2-121.7 123.4 3.4 -10.8 -21.9 20 21 A K E -AC 3 34A 41 -17,-3.1 -17,-3.3 -2,-0.5 2,-0.5 -0.986 20.6-169.7-137.8 133.3 5.0 -13.3 -24.3 21 22 A V E +AC 2 33A 77 12,-2.9 12,-2.3 -2,-0.4 2,-0.3 -0.987 18.9 170.8-123.0 125.1 6.7 -13.1 -27.6 22 23 A S E + C 0 32A 31 -21,-2.3 2,-0.3 -2,-0.5 10,-0.2 -0.979 8.6 179.0-136.8 152.6 7.4 -16.2 -29.6 23 24 A E E - C 0 31A 96 8,-2.5 8,-2.2 -2,-0.3 2,-0.4 -0.983 17.1-149.9-155.5 131.9 8.7 -17.2 -33.0 24 25 A G E - C 0 30A 52 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.881 19.7-148.3 -96.9 136.0 9.5 -20.3 -35.0 25 26 A W > - 0 0 124 4,-3.4 3,-1.7 -2,-0.4 -2,-0.0 -0.721 21.3-121.0 -98.2 155.6 12.2 -20.1 -37.7 26 27 A Q T 3 S+ 0 0 209 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.753 110.6 65.0 -69.0 -23.3 12.2 -22.1 -41.0 27 28 A N T 3 S- 0 0 101 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.487 124.6 -99.8 -76.6 -0.5 15.6 -23.6 -40.1 28 29 A G S < S+ 0 0 15 -3,-1.7 24,-2.9 1,-0.4 -2,-0.1 0.109 81.3 129.9 106.8 -20.1 13.8 -25.4 -37.1 29 30 A W E - D 0 51A 131 22,-0.2 -4,-3.4 -5,-0.1 -1,-0.4 -0.383 33.2-174.4 -66.3 143.9 14.9 -23.0 -34.2 30 31 A W E +CD 24 50A 55 20,-2.7 20,-2.5 -6,-0.2 2,-0.3 -0.994 4.5 174.9-139.9 141.1 12.1 -21.7 -32.0 31 32 A A E -CD 23 49A 26 -8,-2.2 -8,-2.5 -2,-0.3 2,-0.3 -0.993 10.2-174.2-147.6 156.9 12.3 -19.2 -29.1 32 33 A S E -CD 22 48A 3 16,-2.6 16,-2.7 -2,-0.3 2,-0.4 -0.991 5.2-167.0-147.5 143.7 10.1 -17.3 -26.7 33 34 A M E +CD 21 47A 58 -12,-2.3 -12,-2.9 -2,-0.3 2,-0.3 -0.995 19.0 171.5-128.9 137.3 10.6 -14.6 -24.1 34 35 A E E -CD 20 46A 23 12,-2.6 12,-2.5 -2,-0.4 2,-0.4 -0.989 23.9-150.7-142.3 155.1 8.0 -13.7 -21.5 35 36 A S E -CD 19 45A 48 -16,-2.2 -16,-2.1 -2,-0.3 2,-0.4 -0.974 12.1-163.0-117.3 140.9 7.5 -11.6 -18.4 36 37 A N E -CD 18 44A 12 8,-2.6 8,-2.1 -2,-0.4 2,-0.3 -0.995 4.6-162.8-121.7 129.2 5.1 -12.6 -15.6 37 38 A T E -C 17 0A 41 -20,-2.5 -20,-0.8 -2,-0.4 2,-0.4 -0.758 3.2-155.7-105.2 156.8 3.9 -10.1 -13.0 38 39 A W E +C 16 0A 90 -2,-0.3 2,-0.5 -22,-0.2 -22,-0.2 -0.968 11.5 179.1-139.1 115.6 2.3 -11.0 -9.7 39 40 A N E -C 15 0A 97 -24,-3.2 -24,-2.6 -2,-0.4 2,-0.1 -0.904 12.2-159.6-122.5 99.8 -0.1 -8.6 -7.8 40 41 A T E C 14 0A 95 -2,-0.5 -26,-0.2 -26,-0.2 -27,-0.1 -0.481 360.0 360.0 -70.9 145.2 -1.5 -10.0 -4.6 41 42 A I 0 0 100 -28,-2.0 -1,-0.0 -29,-0.3 -2,-0.0 -0.893 360.0 360.0 -99.1 360.0 -4.6 -8.2 -3.3 42 ! 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 43 53 A N 0 0 136 0, 0.0 28,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 141.3 7.8 -11.6 -10.8 44 54 A D E -D 36 0A 34 -8,-2.1 -8,-2.6 26,-0.1 2,-0.4 -0.986 360.0-148.8-149.5 157.5 9.8 -13.5 -13.4 45 55 A V E -DE 35 69A 67 24,-2.2 24,-3.5 -2,-0.3 2,-0.4 -0.994 21.9-167.1-124.4 134.6 11.3 -13.4 -16.9 46 56 A Q E -DE 34 68A 29 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.5 -0.989 10.3-167.5-128.5 135.0 11.6 -16.6 -18.9 47 57 A V E -DE 33 67A 49 20,-2.6 20,-3.4 -2,-0.4 2,-0.4 -0.989 10.3-171.9-119.8 123.7 13.5 -17.3 -22.0 48 58 A E E +DE 32 66A 25 -16,-2.7 -16,-2.6 -2,-0.5 2,-0.3 -0.939 6.6 174.4-119.4 136.0 12.8 -20.6 -23.9 49 59 A V E +DE 31 65A 58 16,-2.2 16,-2.5 -2,-0.4 2,-0.3 -0.995 6.1 159.2-139.2 134.0 14.7 -22.0 -26.9 50 60 A N E -DE 30 64A 8 -20,-2.5 -20,-2.7 -2,-0.3 2,-0.4 -0.945 30.2-132.2-144.4 168.6 14.3 -25.3 -28.7 51 61 A Y E -D 29 0A 89 12,-2.0 2,-0.7 -2,-0.3 -22,-0.2 -0.994 20.4-134.5-126.3 125.5 15.2 -26.8 -32.1 52 62 A A - 0 0 16 -24,-2.9 2,-0.7 -2,-0.4 10,-0.2 -0.719 15.6-165.0 -87.1 110.0 12.7 -28.8 -34.1 53 63 A I E -F 61 0A 71 8,-2.9 8,-2.0 -2,-0.7 2,-0.7 -0.861 16.3-141.3 -90.4 113.3 14.1 -32.1 -35.5 54 64 A K E +F 60 0A 128 -2,-0.7 6,-0.2 6,-0.2 3,-0.1 -0.682 24.4 176.1 -79.8 114.7 11.7 -33.3 -38.2 55 65 A L S S- 0 0 104 4,-2.8 2,-0.2 -2,-0.7 -1,-0.2 0.886 72.0 -38.9 -82.8 -42.0 11.4 -37.1 -37.9 56 66 A D S S- 0 0 81 3,-1.4 -1,-0.3 -3,-0.1 0, 0.0 -0.814 84.0 -64.2-155.4-159.4 8.8 -37.2 -40.6 57 67 A D S S+ 0 0 166 -2,-0.2 3,-0.1 1,-0.2 -3,-0.0 0.672 134.2 30.9 -72.1 -15.2 5.8 -35.0 -41.6 58 68 A Q S S+ 0 0 78 1,-0.1 27,-2.9 26,-0.1 2,-0.4 0.674 109.1 69.3-111.4 -29.3 4.0 -35.8 -38.4 59 69 A W E + G 0 84A 82 25,-0.2 -4,-2.8 26,-0.1 -3,-1.4 -0.851 50.5 173.3-108.1 130.9 6.7 -36.3 -35.7 60 70 A T E -FG 54 83A 22 23,-2.3 23,-2.9 -2,-0.4 2,-0.5 -0.996 15.9-158.1-133.6 137.9 9.1 -33.7 -34.2 61 71 A V E -FG 53 82A 33 -8,-2.0 -8,-2.9 -2,-0.4 21,-0.2 -0.979 11.6-165.1-113.4 128.6 11.6 -34.0 -31.4 62 72 A R E - 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