==== 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 03-DEC-10 2Y0K . COMPND 2 MOLECULE: PYROGLUTATMATE PORIN OPDO; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.S.TOUW,J.VIJAYARAGHAVAN,B.VANDENBERG . 364 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 76.1 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 . 211 58.0 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 . 27 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 1 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 . 2 1 0 0 0 1 1 1 5 2 3 2 3 0 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 0 1 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 H > 0 0 175 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 138.0 -3.3 -35.4 13.6 2 -2 A H H >> + 0 0 112 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.909 360.0 48.9 -60.6 -58.7 -1.3 -35.2 10.4 3 -1 A H H 3> S+ 0 0 120 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.849 115.5 47.4 -48.1 -39.5 -2.6 -32.3 8.4 4 0 A H H 3> S+ 0 0 119 -3,-0.3 4,-3.5 1,-0.2 -1,-0.3 0.808 105.0 57.2 -81.4 -28.9 -2.4 -30.1 11.4 5 1 A D H < S+ 0 0 102 -4,-1.0 3,-2.0 39,-0.2 -2,-0.2 0.903 112.5 59.4 -84.9 -46.8 0.7 -26.5 9.7 8 4 A E H 3< S+ 0 0 149 -4,-3.5 -3,-0.2 1,-0.3 -2,-0.2 0.826 116.5 34.5 -53.3 -37.0 1.5 -26.4 13.4 9 5 A D T 3< S+ 0 0 91 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.223 97.0 117.8-102.9 10.6 5.2 -26.9 12.6 10 6 A S < - 0 0 15 -3,-2.0 2,-0.3 36,-0.1 36,-0.3 -0.374 43.5-163.1 -81.3 156.7 5.3 -24.9 9.4 11 7 A H E -A 45 0A 115 34,-2.9 34,-2.8 -2,-0.1 2,-0.3 -0.954 6.3-175.7-134.4 160.7 7.3 -21.8 8.6 12 8 A A E -A 44 0A 7 355,-3.1 354,-3.3 -2,-0.3 355,-1.5 -0.995 5.3-179.7-155.6 147.5 7.0 -19.2 5.9 13 9 A S E -AB 43 365A 35 30,-1.9 30,-2.5 -2,-0.3 2,-0.4 -0.987 16.8-142.9-145.7 156.9 8.8 -16.1 4.6 14 10 A L E -AB 42 364A 51 350,-2.7 350,-3.1 -2,-0.3 2,-0.4 -0.957 15.0-164.6-118.2 136.7 8.4 -13.5 1.8 15 11 A E E -AB 41 363A 20 26,-2.0 26,-2.2 -2,-0.4 2,-0.4 -0.988 3.4-157.6-123.3 133.2 11.4 -12.0 0.0 16 12 A L E -AB 40 362A 41 346,-3.2 346,-2.3 -2,-0.4 2,-0.4 -0.905 10.1-173.9-105.4 134.7 11.3 -8.9 -2.1 17 13 A R E -AB 39 361A 21 22,-2.3 22,-3.7 -2,-0.4 2,-0.5 -0.979 12.2-172.4-130.1 124.0 13.9 -8.2 -4.8 18 14 A N E -AB 38 360A 37 342,-3.1 342,-3.1 -2,-0.4 2,-0.4 -0.968 22.3-171.4-108.7 130.6 14.4 -5.1 -6.8 19 15 A F E -AB 37 359A 2 18,-3.0 18,-2.6 -2,-0.5 2,-0.4 -0.967 19.8-176.2-138.1 119.0 17.0 -5.8 -9.5 20 16 A Y E -AB 36 358A 74 338,-2.9 338,-2.9 -2,-0.4 2,-0.4 -0.958 12.4-176.6-114.6 135.2 18.8 -3.6 -12.0 21 17 A F E -AB 35 357A 32 14,-2.7 14,-1.9 -2,-0.4 2,-0.4 -0.995 4.1-174.0-138.0 130.6 21.2 -5.2 -14.4 22 18 A N E -AB 34 356A 41 334,-2.9 334,-2.0 -2,-0.4 2,-0.5 -0.985 7.7-174.6-132.3 127.1 23.5 -3.6 -17.1 23 19 A R E -AB 33 355A 73 10,-3.1 10,-0.7 -2,-0.4 2,-0.6 -0.965 7.3-175.7-120.7 116.4 25.7 -5.1 -19.8 24 20 A D E - B 0 354A 77 330,-3.1 330,-2.1 -2,-0.5 2,-0.3 -0.936 11.1-154.6-115.1 114.0 27.9 -2.7 -21.8 25 21 A F E B 0 353A 36 -2,-0.6 328,-0.2 328,-0.2 7,-0.1 -0.692 360.0 360.0 -93.6 138.3 29.9 -4.2 -24.7 26 22 A R 0 0 180 326,-1.9 3,-0.4 -2,-0.3 -1,-0.1 0.844 360.0 360.0 -77.5 360.0 33.1 -2.8 -26.2 27 ! 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 28 25 A G > 0 0 41 0, 0.0 3,-1.5 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 43.7 30.0 -4.3 -30.4 29 26 A A G > + 0 0 59 -3,-0.4 3,-2.1 1,-0.3 -4,-0.1 0.626 360.0 92.1 -51.1 -11.8 27.6 -2.1 -28.4 30 27 A R G 3 S+ 0 0 234 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.456 82.5 51.9 -67.9 -1.9 24.9 -3.8 -30.5 31 28 A D G < S+ 0 0 107 -3,-1.5 2,-0.5 -6,-0.1 -1,-0.3 0.151 77.2 139.7-118.9 16.4 24.6 -6.4 -27.8 32 29 A N < - 0 0 69 -3,-2.1 2,-0.3 -7,-0.1 -8,-0.2 -0.501 31.6-167.9 -71.6 115.1 24.0 -4.0 -24.9 33 30 A A E +A 23 0A 49 -10,-0.7 -10,-3.1 -2,-0.5 2,-0.3 -0.755 10.9 179.4-107.5 153.1 21.3 -5.2 -22.5 34 31 A D E +A 22 0A 85 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.984 5.0 174.7-148.2 140.3 19.6 -3.3 -19.7 35 32 A E E -A 21 0A 19 -14,-1.9 -14,-2.7 -2,-0.3 2,-0.4 -0.942 16.3-172.9-157.3 134.3 16.9 -4.6 -17.3 36 33 A W E +A 20 0A 113 -2,-0.3 31,-4.2 -16,-0.2 32,-1.3 -0.997 27.4 162.8-125.0 125.4 15.0 -3.3 -14.2 37 34 A A E -AC 19 66A 0 -18,-2.6 -18,-3.0 -2,-0.4 2,-0.4 -0.959 31.4-141.3-144.5 156.2 12.8 -5.8 -12.5 38 35 A Q E -AC 18 65A 36 27,-2.6 27,-2.2 -2,-0.3 2,-0.3 -0.978 22.1-170.3-120.7 133.7 10.9 -6.6 -9.3 39 36 A G E -AC 17 64A 0 -22,-3.7 -22,-2.3 -2,-0.4 2,-0.4 -0.876 12.8-164.2-122.8 155.9 10.6 -10.0 -7.7 40 37 A F E -AC 16 63A 62 23,-2.3 23,-2.1 -2,-0.3 2,-0.4 -0.996 6.5-170.8-134.2 135.8 8.7 -11.7 -4.9 41 38 A L E -AC 15 62A 0 -26,-2.2 -26,-2.0 -2,-0.4 2,-0.6 -0.957 2.2-168.8-132.5 111.7 9.6 -15.1 -3.5 42 39 A L E -AC 14 61A 67 19,-2.3 19,-2.7 -2,-0.4 2,-0.5 -0.901 7.7-166.3-102.8 118.2 7.2 -16.9 -1.1 43 40 A R E -AC 13 60A 81 -30,-2.5 -30,-1.9 -2,-0.6 2,-0.5 -0.930 5.0-174.9-109.0 123.7 8.8 -19.8 0.7 44 41 A L E +AC 12 59A 57 15,-2.8 15,-2.5 -2,-0.5 2,-0.5 -0.971 5.1 179.0-122.1 121.8 6.6 -22.3 2.5 45 42 A E E -AC 11 58A 111 -34,-2.8 -34,-2.9 -2,-0.5 13,-0.2 -0.947 12.9-158.2-125.4 110.0 8.0 -25.2 4.6 46 43 A S - 0 0 16 11,-1.6 -39,-0.2 -2,-0.5 -40,-0.1 -0.242 18.9-112.7 -76.3 169.2 5.5 -27.5 6.4 47 44 A G - 0 0 5 -41,-2.3 10,-0.4 -42,-0.2 2,-0.4 -0.070 40.1 -95.4 -80.6-166.2 6.1 -29.7 9.4 48 45 A F - 0 0 33 -43,-0.2 8,-0.2 8,-0.1 2,-0.1 -0.918 28.4-111.6-118.9 144.1 6.1 -33.5 9.1 49 46 A S - 0 0 21 6,-2.3 6,-0.1 -2,-0.4 -47,-0.1 -0.465 49.4 -92.2 -67.9 144.1 3.3 -36.0 9.9 50 47 A E S S+ 0 0 159 4,-0.1 2,-0.2 -2,-0.1 3,-0.2 -0.114 78.7 58.6 -57.7 151.6 3.9 -38.2 13.0 51 48 A G S S- 0 0 65 1,-0.2 3,-0.2 -3,-0.1 -3,-0.0 -0.667 97.8 -51.8 126.3-178.1 5.5 -41.6 12.7 52 49 A T S S+ 0 0 123 1,-0.3 2,-0.6 -2,-0.2 33,-0.5 0.939 131.6 36.6 -61.1 -48.8 8.6 -43.5 11.5 53 50 A V S S- 0 0 59 -3,-0.2 2,-0.4 31,-0.1 -1,-0.3 -0.932 83.5-158.8-106.0 111.0 8.4 -41.8 8.2 54 51 A G E - D 0 83A 3 29,-1.8 29,-3.0 -2,-0.6 2,-0.3 -0.720 6.5-155.7 -86.0 137.1 7.2 -38.2 8.4 55 52 A F E + D 0 82A 112 -2,-0.4 -6,-2.3 27,-0.2 2,-0.3 -0.851 20.7 154.0-112.5 151.9 5.7 -36.6 5.4 56 53 A G E - D 0 81A 5 25,-1.8 25,-1.9 -2,-0.3 2,-0.3 -0.888 29.1-128.9-154.8-174.5 5.4 -32.9 4.4 57 54 A V E - D 0 80A 66 -10,-0.4 -11,-1.6 -2,-0.3 2,-0.3 -0.979 12.1-166.3-150.0 132.9 5.2 -30.4 1.6 58 55 A D E -CD 45 79A 25 21,-2.9 21,-2.4 -2,-0.3 2,-0.3 -0.852 8.4-167.5-111.8 157.5 7.1 -27.3 0.7 59 56 A A E -CD 44 78A 16 -15,-2.5 -15,-2.8 -2,-0.3 2,-0.4 -0.980 8.7-163.2-138.1 151.9 6.1 -24.7 -1.8 60 57 A I E -CD 43 77A 25 17,-1.8 17,-2.3 -2,-0.3 2,-0.5 -0.963 7.8-160.3-137.0 124.9 7.9 -21.8 -3.5 61 58 A G E -CD 42 76A 18 -19,-2.7 -19,-2.3 -2,-0.4 2,-0.5 -0.893 7.1-169.0-106.7 127.6 6.0 -19.0 -5.2 62 59 A L E +CD 41 75A 4 13,-3.7 13,-2.6 -2,-0.5 2,-0.4 -0.949 10.3 170.7-119.7 129.3 7.8 -16.8 -7.8 63 60 A L E +CD 40 74A 76 -23,-2.1 -23,-2.3 -2,-0.5 2,-0.3 -0.995 8.3 168.1-133.5 129.4 6.5 -13.6 -9.2 64 61 A G E +CD 39 73A 2 9,-3.1 9,-1.4 -2,-0.4 2,-0.3 -0.999 7.7 177.7-139.5 143.0 8.5 -11.3 -11.4 65 62 A F E -C 38 0A 78 -27,-2.2 -27,-2.6 -2,-0.3 7,-0.2 -0.996 28.1-118.7-143.0 144.9 7.9 -8.3 -13.6 66 63 A K E -C 37 0A 78 -2,-0.3 -29,-0.3 -29,-0.2 5,-0.0 -0.468 19.2-175.0 -75.4 144.3 10.0 -5.9 -15.6 67 64 A L 0 0 67 -31,-4.2 -30,-0.2 -2,-0.1 -1,-0.1 0.639 360.0 360.0-108.2 -24.5 9.9 -2.2 -14.8 68 65 A D 0 0 129 -32,-1.3 -31,-0.1 -34,-0.0 -1,-0.0 0.460 360.0 360.0 -1.6 360.0 12.1 -0.8 -17.6 69 ! 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 70 86 A Q 0 0 102 0, 0.0 71,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -72.2 12.6 -12.5 -19.8 71 87 A D + 0 0 0 69,-2.6 2,-0.5 1,-0.1 -33,-0.2 0.730 360.0 117.5 65.5 23.7 11.7 -12.2 -16.0 72 88 A D + 0 0 70 68,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.798 52.1 91.8-115.8 87.2 8.0 -11.6 -16.6 73 89 A Y E -D 64 0A 16 -9,-1.4 -9,-3.1 -2,-0.5 2,-0.3 -0.986 57.0-134.8-164.6 172.2 6.3 -14.5 -14.9 74 90 A A E +D 63 0A 65 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.981 27.3 170.4-136.3 145.1 4.6 -16.3 -12.0 75 91 A K E -D 62 0A 43 -13,-2.6 -13,-3.7 -2,-0.3 2,-0.5 -0.967 20.7-161.7-161.1 138.4 5.3 -19.8 -10.9 76 92 A L E -D 61 0A 115 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.996 13.3-168.0-124.0 124.6 4.4 -22.1 -8.0 77 93 A G E -D 60 0A 4 -17,-2.3 -17,-1.8 -2,-0.5 2,-0.3 -0.961 6.7-153.5-115.8 127.8 6.5 -25.2 -7.5 78 94 A L E -D 59 0A 108 -2,-0.5 15,-2.2 -19,-0.2 2,-0.4 -0.719 6.8-167.3 -96.9 151.2 5.5 -27.9 -5.1 79 95 A T E -DE 58 92A 9 -21,-2.4 -21,-2.9 -2,-0.3 13,-0.2 -0.911 7.6-155.2-140.5 111.0 7.8 -30.3 -3.3 80 96 A A E -DE 57 91A 53 11,-2.2 11,-2.7 -2,-0.4 2,-0.3 -0.559 20.9-166.9 -74.5 147.7 6.7 -33.4 -1.5 81 97 A K E -DE 56 90A 9 -25,-1.9 -25,-1.8 9,-0.2 2,-0.4 -0.966 15.4-163.8-139.9 156.0 9.1 -34.6 1.2 82 98 A A E -DE 55 89A 21 7,-2.2 7,-2.4 -2,-0.3 2,-0.4 -0.991 10.1-161.6-145.0 131.1 9.7 -37.6 3.4 83 99 A R E +DE 54 88A 109 -29,-3.0 -29,-1.8 -2,-0.4 2,-0.3 -0.898 14.2 174.7-120.7 140.8 11.8 -37.9 6.5 84 100 A V E > S- E 0 87A 71 3,-1.9 3,-3.0 -2,-0.4 -31,-0.1 -0.975 73.5 -38.6-138.9 132.0 13.3 -40.8 8.5 85 101 A S T 3 S- 0 0 81 -33,-0.5 -2,-0.0 -2,-0.3 0, 0.0 -0.353 124.1 -34.4 47.8-121.9 15.6 -40.1 11.4 86 102 A N T 3 S+ 0 0 127 -3,-0.1 -1,-0.3 36,-0.1 2,-0.3 0.266 114.4 108.0-110.1 13.5 17.5 -37.0 10.1 87 103 A S E < -E 84 0A 20 -3,-3.0 -3,-1.9 33,-0.1 2,-0.4 -0.661 53.3-154.1 -93.2 148.0 17.6 -38.1 6.5 88 104 A L E -EF 83 119A 41 31,-2.7 31,-3.3 -2,-0.3 2,-0.4 -0.974 15.0-168.4-135.5 132.9 15.4 -36.3 3.9 89 105 A L E -EF 82 118A 66 -7,-2.4 -7,-2.2 -2,-0.4 2,-0.4 -0.969 12.4-172.3-115.0 130.4 13.9 -37.1 0.5 90 106 A K E -EF 81 117A 62 27,-3.1 27,-2.7 -2,-0.4 2,-0.4 -0.976 4.6-176.0-125.3 143.8 12.4 -34.4 -1.7 91 107 A V E +EF 80 116A 70 -11,-2.7 -11,-2.2 -2,-0.4 2,-0.4 -0.994 54.7 27.2-141.8 128.0 10.5 -34.8 -4.9 92 108 A G E S+EF 79 115A 20 23,-2.6 23,-1.9 -2,-0.4 2,-0.3 -0.992 108.6 20.2 125.8-137.0 9.2 -31.9 -7.1 93 109 A A E S- F 0 114A 11 -15,-2.2 2,-0.3 -2,-0.4 21,-0.2 -0.558 73.0-173.7 -72.7 132.7 10.8 -28.5 -7.3 94 110 A L E + F 0 113A 5 19,-3.1 19,-2.6 -2,-0.3 2,-0.3 -0.936 22.1 174.5-132.2 149.3 14.4 -28.5 -6.1 95 111 A H + 0 0 74 -2,-0.3 2,-0.3 17,-0.2 17,-0.1 -0.822 30.2 130.0-155.1 109.9 17.2 -25.9 -5.5 96 112 A F - 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