==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 02-DEC-10 2Y0H . COMPND 2 MOLECULE: PROBABLE PORIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.S.TOUW,J.VIJAYARAGHAVAN,B.VANDENBERG . 361 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 76.7 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 . 218 60.4 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 29 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 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 . 3 1 0 0 0 1 0 2 5 2 3 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 3 A L > 0 0 186 0, 0.0 3,-1.7 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 10.3 26.6 -43.7 14.6 2 4 A A T 3 + 0 0 97 1,-0.3 36,-0.0 36,-0.1 0, 0.0 0.712 360.0 63.1 -65.4 -21.6 28.3 -45.1 11.5 3 5 A D T 3 S+ 0 0 133 37,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.533 85.2 98.4 -80.5 -7.2 25.7 -43.4 9.3 4 6 A S < - 0 0 25 -3,-1.7 2,-0.3 34,-0.1 34,-0.2 -0.387 54.1-175.6 -76.6 159.4 26.9 -40.0 10.5 5 7 A S E -A 37 0A 30 32,-2.8 32,-3.0 -2,-0.1 2,-0.4 -0.989 15.8-155.5-151.4 157.3 29.4 -37.9 8.5 6 8 A A E +A 36 0A 0 358,-1.2 357,-2.6 -2,-0.3 358,-1.5 -1.000 14.9 175.6-135.4 138.2 31.4 -34.7 8.6 7 9 A H E -AB 35 362A 36 28,-2.5 28,-2.8 -2,-0.4 2,-0.5 -0.968 20.7-149.8-137.2 155.5 32.7 -32.6 5.8 8 10 A L E -AB 34 361A 39 353,-2.7 353,-3.3 -2,-0.3 2,-0.5 -0.973 14.1-156.8-125.5 115.6 34.5 -29.3 5.4 9 11 A D E -AB 33 360A 37 24,-3.1 24,-2.0 -2,-0.5 2,-0.5 -0.808 10.5-161.2 -91.9 127.0 33.8 -27.4 2.2 10 12 A L E -AB 32 359A 33 349,-4.2 349,-2.3 -2,-0.5 2,-0.4 -0.915 9.3-177.2-112.2 132.3 36.6 -25.0 1.3 11 13 A R E -AB 31 358A 42 20,-2.2 20,-3.4 -2,-0.5 2,-0.5 -0.967 8.4-170.3-131.9 122.0 36.2 -22.0 -1.1 12 14 A N E -AB 30 357A 30 345,-2.9 345,-2.9 -2,-0.4 2,-0.5 -0.943 15.4-173.5-110.1 126.9 38.8 -19.6 -2.3 13 15 A F E +AB 29 356A 20 16,-2.4 16,-2.2 -2,-0.5 2,-0.4 -0.968 12.2 177.0-132.2 119.8 37.5 -16.7 -4.1 14 16 A Y E +AB 28 355A 90 341,-2.5 341,-2.7 -2,-0.5 2,-0.4 -0.990 7.0 179.5-125.4 127.0 39.3 -13.9 -6.0 15 17 A Q E -AB 27 354A 33 12,-2.6 12,-1.7 -2,-0.4 2,-0.6 -0.987 14.8-166.7-129.5 136.0 37.6 -11.2 -7.9 16 18 A L E -AB 26 353A 46 337,-2.9 337,-2.0 -2,-0.4 2,-0.4 -0.972 20.7-170.5-117.5 112.8 39.0 -8.3 -9.8 17 19 A R E -AB 25 352A 68 8,-2.9 8,-2.0 -2,-0.6 2,-0.4 -0.832 23.7-171.0-109.4 144.1 36.3 -5.8 -10.7 18 20 A D E +AB 24 351A 48 333,-2.7 333,-1.4 -2,-0.4 2,-0.4 -0.798 25.7 171.9-126.8 87.0 36.3 -2.7 -12.9 19 21 A Y E + B 0 350A 78 4,-1.2 2,-0.3 -2,-0.4 331,-0.2 -0.820 5.4 148.3-101.5 132.8 32.9 -1.0 -12.2 20 22 A R E B 0 349A 73 329,-2.1 329,-2.9 -2,-0.4 -2,-0.0 -0.992 360.0 360.0-157.4 164.3 31.9 2.4 -13.5 21 23 A Q 0 0 146 -2,-0.3 -1,-0.1 327,-0.2 326,-0.1 0.689 360.0 360.0 -96.3 360.0 29.0 4.6 -14.6 22 ! 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 23 29 A S 0 0 113 0, 0.0 -4,-1.2 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 102.3 37.7 1.9 -10.8 24 30 A Q E +A 18 0A 139 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.845 360.0 168.1-102.2 102.3 39.7 -1.4 -10.6 25 31 A A E -A 17 0A 60 -8,-2.0 -8,-2.9 -2,-0.8 2,-0.2 -0.907 17.1-152.0-118.9 143.2 39.3 -3.0 -7.2 26 32 A G E -A 16 0A 42 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.680 8.0-170.6-112.6 162.7 40.3 -6.5 -6.0 27 33 A N E -A 15 0A 64 -12,-1.7 -12,-2.6 -2,-0.2 2,-0.4 -0.939 4.4-179.1-154.3 130.0 39.1 -8.9 -3.4 28 34 A W E +A 14 0A 125 -2,-0.3 31,-2.7 -14,-0.2 2,-0.3 -0.999 19.7 152.6-130.5 129.9 40.5 -12.1 -2.1 29 35 A S E -AC 13 58A 3 -16,-2.2 -16,-2.4 -2,-0.4 2,-0.4 -0.970 30.5-134.7-154.2 168.9 38.7 -14.2 0.6 30 36 A Q E -AC 12 57A 34 27,-2.5 27,-2.5 -2,-0.3 2,-0.3 -0.989 13.3-158.1-137.3 130.8 38.3 -17.7 1.9 31 37 A G E -AC 11 56A 1 -20,-3.4 -20,-2.2 -2,-0.4 2,-0.4 -0.826 4.5-169.9-111.2 147.1 35.2 -19.6 3.0 32 38 A F E -AC 10 55A 64 23,-2.3 23,-2.5 -2,-0.3 2,-0.4 -0.999 2.0-175.8-130.2 131.7 34.7 -22.6 5.2 33 39 A V E -AC 9 54A 11 -24,-2.0 -24,-3.1 -2,-0.4 2,-0.6 -0.948 9.9-160.9-128.4 111.5 31.5 -24.6 5.6 34 40 A L E -AC 8 53A 66 19,-2.9 19,-2.9 -2,-0.4 2,-0.6 -0.822 8.0-167.6 -92.8 117.9 31.5 -27.3 8.2 35 41 A R E -AC 7 52A 66 -28,-2.8 -28,-2.5 -2,-0.6 2,-0.5 -0.931 7.9-179.6-112.6 114.2 28.8 -29.9 7.6 36 42 A L E -AC 6 51A 59 15,-3.0 15,-2.3 -2,-0.6 2,-0.4 -0.948 5.7-179.9-108.8 130.3 28.0 -32.4 10.4 37 43 A Q E -AC 5 50A 71 -32,-3.0 -32,-2.8 -2,-0.5 13,-0.2 -0.973 12.8-153.1-135.2 122.0 25.2 -34.9 9.6 38 44 A S - 0 0 33 11,-1.6 -34,-0.1 -2,-0.4 2,-0.1 -0.439 22.6-116.1 -81.0 162.2 24.1 -37.5 12.0 39 45 A G - 0 0 14 -2,-0.1 2,-0.4 -38,-0.1 10,-0.4 -0.133 45.3 -85.5 -74.3-170.1 22.5 -40.8 10.8 40 46 A F - 0 0 47 8,-0.1 8,-0.2 -2,-0.1 2,-0.1 -0.858 35.8-107.7-107.1 137.4 18.9 -41.4 11.8 41 47 A T - 0 0 85 6,-3.3 6,-0.2 -2,-0.4 7,-0.0 -0.406 50.6-105.0 -55.6 126.7 17.6 -43.0 15.0 42 48 A G S S+ 0 0 71 -2,-0.1 3,-0.1 4,-0.1 -1,-0.1 -0.024 76.7 59.0 -56.1 158.2 16.4 -46.5 14.1 43 49 A G S S- 0 0 57 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.307 99.8 -58.0 108.1 166.9 12.7 -47.4 13.8 44 50 A P S S+ 0 0 109 0, 0.0 2,-0.9 0, 0.0 33,-0.5 0.896 129.2 44.9 -47.6 -55.4 9.7 -46.2 11.8 45 51 A L E S- D 0 76A 87 31,-0.1 31,-0.2 -3,-0.1 2,-0.2 -0.828 87.0-162.2 -96.5 99.7 9.9 -42.6 13.0 46 52 A G E - D 0 75A 4 29,-2.7 29,-2.1 -2,-0.9 2,-0.4 -0.537 7.0-156.8 -87.9 147.6 13.6 -41.6 12.8 47 53 A F E + D 0 74A 102 27,-0.2 -6,-3.3 -2,-0.2 2,-0.3 -0.954 18.5 160.5-122.4 140.8 15.4 -38.7 14.5 48 54 A G E - D 0 73A 15 25,-2.5 25,-2.4 -2,-0.4 2,-0.3 -0.937 23.9-143.2-149.3 172.4 18.6 -37.0 13.5 49 55 A L E - D 0 72A 92 -10,-0.4 -11,-1.6 -2,-0.3 2,-0.3 -0.986 11.8-173.4-143.8 127.7 20.6 -33.8 13.9 50 56 A D E -CD 37 71A 20 21,-2.8 21,-2.8 -2,-0.3 2,-0.4 -0.855 6.7-159.3-113.1 157.7 22.8 -31.8 11.5 51 57 A A E -CD 36 70A 16 -15,-2.3 -15,-3.0 -2,-0.3 2,-0.5 -0.997 1.1-164.8-133.6 137.7 25.0 -28.8 12.2 52 58 A T E -CD 35 69A 19 17,-3.1 17,-2.4 -2,-0.4 2,-0.5 -0.967 6.5-169.6-125.3 114.3 26.2 -26.3 9.6 53 59 A G E -CD 34 68A 15 -19,-2.9 -19,-2.9 -2,-0.5 2,-0.4 -0.895 4.9-165.4-105.4 131.4 29.1 -24.0 10.6 54 60 A L E +CD 33 67A 6 13,-3.2 13,-2.0 -2,-0.5 2,-0.4 -0.957 10.8 173.4-121.5 135.4 30.1 -21.1 8.3 55 61 A L E -CD 32 66A 46 -23,-2.5 -23,-2.3 -2,-0.4 2,-0.4 -0.981 7.5-172.2-140.7 125.0 33.2 -18.9 8.3 56 62 A G E -CD 31 65A 0 9,-3.3 8,-2.8 -2,-0.4 9,-1.7 -0.960 9.1-169.1-115.8 134.6 34.2 -16.2 5.9 57 63 A V E -CD 30 63A 14 -27,-2.5 -27,-2.5 -2,-0.4 2,-0.3 -0.982 17.1-134.7-130.0 130.5 37.7 -14.7 6.1 58 64 A K E CD 29 62A 68 4,-2.4 4,-1.8 -2,-0.4 -29,-0.2 -0.646 360.0 360.0 -81.0 133.6 39.0 -11.6 4.3 59 65 A L 0 0 79 -31,-2.7 -30,-0.2 -2,-0.3 -1,-0.2 0.497 360.0 360.0-117.9 360.0 42.4 -12.0 2.8 60 ! 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 61 86 A P 0 0 141 0, 0.0 2,-0.5 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 128.5 43.6 -12.6 7.4 62 87 A V E -D 58 0A 104 -4,-1.8 -4,-2.4 0, 0.0 0, 0.0 -0.962 360.0-115.0-121.9 122.4 40.6 -11.1 9.3 63 88 A D E +D 57 0A 113 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.281 38.4 173.2 -50.4 127.0 37.5 -13.0 10.4 64 89 A D E - 0 0 80 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.744 56.8 -1.7-112.5 -39.1 34.7 -11.5 8.5 65 90 A Y E +D 56 0A 44 -9,-1.7 -9,-3.3 2,-0.0 -1,-0.4 -0.961 56.6 171.7-160.0 136.4 31.6 -13.7 9.2 66 91 A S E +D 55 0A 80 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.991 4.1 165.8-145.7 150.4 30.8 -16.8 11.2 67 92 A H E -D 54 0A 40 -13,-2.0 -13,-3.2 -2,-0.3 2,-0.5 -0.963 19.0-153.9-159.4 145.5 27.6 -18.5 12.1 68 93 A L E +D 53 0A 103 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.991 18.6 177.8-123.9 124.2 26.6 -21.9 13.5 69 94 A G E -D 52 0A 7 -17,-2.4 -17,-3.1 -2,-0.5 2,-0.3 -0.936 14.5-149.5-122.9 150.5 23.2 -23.4 12.8 70 95 A L E -D 51 0A 93 -2,-0.3 15,-2.3 -19,-0.2 2,-0.4 -0.853 3.5-158.5-112.6 153.7 21.6 -26.7 13.7 71 96 A T E -DE 50 84A 5 -21,-2.8 -21,-2.8 -2,-0.3 13,-0.3 -0.932 4.7-155.9-135.2 108.5 19.0 -28.7 11.8 72 97 A A E -DE 49 83A 45 11,-2.9 11,-2.8 -2,-0.4 2,-0.4 -0.602 18.1-162.5 -75.0 142.4 16.8 -31.2 13.6 73 98 A K E -DE 48 82A 13 -25,-2.4 -25,-2.5 -2,-0.2 2,-0.3 -0.998 13.5-172.9-133.6 135.5 15.5 -33.9 11.2 74 99 A L E -DE 47 81A 57 7,-2.5 7,-2.2 -2,-0.4 2,-0.4 -0.919 9.5-168.0-116.9 150.6 12.6 -36.4 11.4 75 100 A R E +DE 46 80A 117 -29,-2.1 -29,-2.7 -2,-0.3 2,-0.3 -0.999 14.7 166.1-143.9 138.9 11.9 -39.2 8.9 76 101 A Y E > -DE 45 79A 139 3,-2.3 3,-2.9 -2,-0.4 2,-0.2 -0.937 67.5 -45.9-151.1 126.2 9.1 -41.6 8.3 77 102 A S T 3 S- 0 0 72 -33,-0.5 35,-0.0 -2,-0.3 37,-0.0 -0.327 125.2 -22.1 49.7-112.2 8.6 -43.7 5.2 78 103 A Q T 3 S+ 0 0 118 -2,-0.2 35,-2.0 -3,-0.1 2,-0.4 0.049 118.2 97.5-113.1 22.8 9.3 -41.2 2.3 79 104 A T E < -EF 76 112A 31 -3,-2.9 -3,-2.3 33,-0.2 2,-0.4 -0.916 48.5-173.4-118.4 138.8 8.6 -38.0 4.3 80 105 A Q E -EF 75 111A 51 31,-2.9 31,-2.5 -2,-0.4 2,-0.5 -0.993 9.6-163.6-133.9 136.2 11.2 -35.8 6.0 81 106 A L E -EF 74 110A 54 -7,-2.2 -7,-2.5 -2,-0.4 2,-0.4 -0.975 7.7-171.5-114.7 132.5 10.9 -32.8 8.2 82 107 A Q E -EF 73 109A 49 27,-2.3 27,-2.5 -2,-0.5 2,-0.5 -0.987 1.2-173.8-119.9 133.1 13.8 -30.5 8.8 83 108 A V E +EF 72 108A 57 -11,-2.8 -11,-2.9 -2,-0.4 2,-0.4 -0.970 52.3 23.2-128.6 118.7 13.8 -27.7 11.4 84 109 A G E S+EF 71 107A 16 23,-2.6 23,-2.2 -2,-0.5 -13,-0.3 -0.999 104.0 19.8 140.2-136.4 16.6 -25.2 11.8 85 110 A I E S+ F 0 106A 7 -15,-2.3 2,-0.3 -2,-0.4 21,-0.2 -0.495 71.1 178.9 -72.2 136.1 19.2 -24.0 9.4 86 111 A L E - 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