==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 26-JUN-12 4AZL . COMPND 2 MOLECULE: ALGINATE PRODUCTION PROTEIN ALGE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.TAN,V.E.PYE,D.ARAGAO,M.CAFFREY . 843 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 438 52.0 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 . 54 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 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 2 0 2 2 2 2 0 6 4 10 6 0 2 0 0 0 2 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 0 0 0 0 0 2 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 40 A K 0 0 114 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.9 35.4 18.3 0.9 2 41 A N + 0 0 109 1,-0.2 36,-2.8 35,-0.1 2,-0.3 0.652 360.0 5.2 -92.4 -16.3 38.2 15.9 -0.1 3 42 A F E +A 37 0A 125 34,-0.3 2,-0.3 2,-0.0 34,-0.2 -0.988 57.7 164.8-161.3 158.9 38.1 13.5 2.8 4 43 A G E -A 36 0A 11 32,-1.7 32,-2.3 -2,-0.3 2,-0.4 -0.940 25.5-126.9-160.7-176.1 36.2 12.5 5.9 5 44 A L E -A 35 0A 58 -2,-0.3 417,-3.3 30,-0.2 2,-0.5 -0.962 12.0-155.7-147.4 123.9 35.6 9.8 8.5 6 45 A D E -AB 34 421A 10 28,-2.1 28,-3.1 -2,-0.4 2,-0.5 -0.891 11.0-167.9 -99.0 128.4 32.4 8.2 9.5 7 46 A V E +AB 33 420A 28 413,-3.0 413,-3.0 -2,-0.5 2,-0.4 -0.968 7.7 179.4-118.7 124.5 32.3 6.6 12.9 8 47 A K E -AB 32 419A 10 24,-2.7 24,-2.7 -2,-0.5 2,-0.5 -0.984 15.9-163.9-127.9 133.6 29.4 4.3 13.9 9 48 A I E -AB 31 418A 75 409,-2.6 409,-2.5 -2,-0.4 2,-0.4 -0.974 21.2-175.2-109.3 126.2 28.7 2.5 17.2 10 49 A T E -AB 30 417A 0 20,-2.3 20,-2.4 -2,-0.5 2,-0.4 -0.958 18.4-169.5-125.7 136.5 26.0 -0.2 16.8 11 50 A G E -AB 29 416A 19 405,-1.9 405,-1.9 -2,-0.4 2,-0.4 -0.974 12.8-166.2-112.7 141.1 24.2 -2.6 19.1 12 51 A E E -AB 28 415A 5 16,-2.4 16,-2.5 -2,-0.4 2,-0.5 -0.991 10.3-174.1-128.6 131.7 22.1 -5.4 17.8 13 52 A S E +AB 27 414A 34 401,-2.6 401,-3.1 -2,-0.4 2,-0.4 -0.989 12.2 171.9-118.3 121.3 19.6 -7.6 19.6 14 53 A E E -AB 26 413A 10 12,-2.1 12,-2.5 -2,-0.5 399,-0.2 -0.998 9.3-167.7-133.7 131.2 18.1 -10.5 17.6 15 54 A N E - B 0 412A 79 397,-3.0 397,-3.9 -2,-0.4 -2,-0.0 -0.763 63.7 -11.4-170.5 111.6 15.8 -13.2 19.0 16 55 A D > + 0 0 18 395,-0.4 3,-2.4 -2,-0.2 -1,-0.2 0.375 50.6 172.5-130.5 125.0 15.1 -15.6 17.6 17 56 A R T 3 S+ 0 0 79 1,-0.3 331,-2.2 2,-0.1 -2,-0.1 0.778 95.0 39.4 -54.7 -34.0 15.9 -15.9 13.9 18 57 A D T > S- 0 0 23 329,-0.2 3,-2.0 4,-0.1 -1,-0.3 0.213 110.5-117.6-102.1 13.3 14.9 -19.6 13.8 19 58 A L T < - 0 0 0 -3,-2.4 389,-3.3 1,-0.3 -2,-0.1 0.719 69.9 -61.0 61.2 24.6 11.9 -19.2 16.2 20 59 A G T 3 S+ 0 0 37 387,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.470 114.0 111.4 86.4 4.2 13.6 -21.5 18.7 21 60 A T S < S+ 0 0 79 -3,-2.0 -2,-0.1 387,-0.1 328,-0.1 0.839 76.2 32.1 -81.0 -33.4 13.7 -24.5 16.3 22 61 A A 0 0 52 -4,-0.2 -4,-0.1 1,-0.0 -2,-0.1 -0.654 360.0 360.0-118.0 169.0 17.5 -24.8 15.7 23 62 A P 0 0 173 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.709 360.0 360.0 -76.8 360.0 20.5 -24.0 18.0 24 ! 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 25 65 A T 0 0 105 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 0.000 360.0 360.0 360.0 163.8 20.3 -15.1 18.5 26 66 A L E +A 14 0A 24 -12,-2.5 -12,-2.1 31,-0.0 2,-0.1 -0.979 360.0 161.7-139.7 140.6 22.4 -11.8 18.9 27 67 A N E +A 13 0A 132 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.557 43.5 125.6-153.7 85.2 23.1 -9.4 21.8 28 68 A D E -A 12 0A 33 -16,-2.5 -16,-2.4 -2,-0.1 2,-0.3 -0.865 45.8-140.3-150.0 169.4 26.1 -7.5 20.8 29 69 A I E +A 11 0A 89 -2,-0.3 27,-2.2 -18,-0.3 28,-0.3 -0.932 22.6 170.0-138.1 149.7 27.9 -4.2 20.2 30 70 A G E -AC 10 55A 1 -20,-2.4 -20,-2.3 -2,-0.3 2,-0.4 -0.984 26.6-127.4-155.6 166.9 30.4 -3.0 17.6 31 71 A I E -AC 9 54A 79 23,-2.6 23,-2.0 -2,-0.3 2,-0.4 -0.944 17.5-166.5-119.5 145.1 32.3 -0.1 16.0 32 72 A D E -AC 8 53A 0 -24,-2.7 -24,-2.7 -2,-0.4 2,-0.5 -0.975 2.9-168.9-136.1 116.9 32.3 0.8 12.3 33 73 A L E -AC 7 52A 67 19,-3.0 19,-2.1 -2,-0.4 -26,-0.2 -0.926 4.0-176.4-113.5 127.0 34.9 3.2 10.8 34 74 A R E -A 6 0A 15 -28,-3.1 -28,-2.1 -2,-0.5 2,-0.2 -0.769 1.8-173.7-126.6 88.3 34.6 4.5 7.3 35 75 A P E -A 5 0A 60 0, 0.0 15,-2.1 0, 0.0 2,-0.3 -0.557 15.9-171.1 -69.8 141.4 37.4 6.8 6.0 36 76 A W E -AD 4 49A 9 -32,-2.3 -32,-1.7 13,-0.2 2,-0.4 -0.975 15.9-162.3-138.0 158.9 36.6 8.3 2.6 37 77 A A E -AD 3 48A 44 11,-2.5 11,-2.4 -2,-0.3 2,-0.4 -0.991 8.5-179.1-138.1 140.1 38.4 10.2 -0.1 38 78 A F E - D 0 47A 46 -36,-2.8 2,-0.3 -2,-0.4 9,-0.2 -0.996 1.8-178.8-143.3 137.3 37.0 12.3 -2.9 39 79 A G E - D 0 46A 8 7,-2.4 7,-2.0 -2,-0.4 2,-0.4 -0.980 4.3-168.8-132.1 150.9 38.6 14.3 -5.7 40 80 A Q E + D 0 45A 115 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.990 9.8 171.7-142.2 130.7 37.1 16.3 -8.5 41 81 A W E > - D 0 44A 150 3,-3.6 3,-2.4 -2,-0.4 2,-0.2 -0.846 64.0 -63.6-142.2 102.2 38.8 17.8 -11.6 42 82 A G T 3 S- 0 0 62 -2,-0.3 -1,-0.1 595,-0.3 595,-0.0 -0.410 122.3 -9.1 52.8-123.9 36.6 19.3 -14.2 43 83 A D T 3 S+ 0 0 81 -2,-0.2 37,-2.8 -3,-0.1 2,-0.3 0.550 125.7 84.3 -80.7 -7.3 34.4 16.6 -15.6 44 84 A W E < +DE 41 79A 135 -3,-2.4 -3,-3.6 35,-0.2 2,-0.3 -0.722 48.8 160.5 -99.5 149.2 36.4 13.9 -13.8 45 85 A S E -DE 40 78A 6 33,-1.8 33,-2.8 -2,-0.3 2,-0.3 -0.972 15.3-163.5-153.0 165.8 36.1 12.7 -10.2 46 86 A A E -DE 39 77A 32 -7,-2.0 -7,-2.4 -2,-0.3 2,-0.3 -0.988 6.6-168.6-151.7 150.9 37.1 9.7 -8.2 47 87 A Y E -DE 38 76A 11 29,-2.4 29,-2.3 -2,-0.3 2,-0.4 -0.999 6.6-173.9-147.8 143.8 36.0 8.3 -4.8 48 88 A F E +DE 37 75A 96 -11,-2.4 -11,-2.5 -2,-0.3 2,-0.4 -0.997 2.7 178.7-136.6 135.3 37.0 5.7 -2.2 49 89 A M E -DE 36 74A 4 25,-2.9 24,-2.3 -2,-0.4 25,-1.7 -0.979 8.2-177.6-131.1 129.9 35.4 4.5 0.9 50 90 A G E - E 0 72A 5 -15,-2.1 2,-0.3 -2,-0.4 22,-0.2 -0.468 10.6-146.9-108.2-174.6 36.8 1.8 3.2 51 91 A Q E - E 0 71A 16 20,-1.8 20,-2.5 -17,-0.2 2,-0.4 -0.963 11.5-171.6-158.7 132.5 35.5 0.2 6.3 52 92 A A E -CE 33 70A 32 -19,-2.1 -19,-3.0 -2,-0.3 2,-0.4 -0.999 16.5-174.3-128.4 132.2 37.0 -1.3 9.5 53 93 A V E +CE 32 69A 9 16,-2.3 16,-1.5 -2,-0.4 2,-0.4 -0.971 13.6 178.4-130.6 137.1 34.7 -3.1 11.9 54 94 A A E +CE 31 68A 42 -23,-2.0 -23,-2.6 -2,-0.4 2,-0.3 -0.974 18.0 161.4-136.6 126.6 35.2 -4.6 15.3 55 95 A A E -C 30 0A 17 12,-1.1 -25,-0.2 -2,-0.4 3,-0.1 -0.935 50.8-120.5-142.2 162.9 32.4 -6.3 17.2 56 96 A T S S- 0 0 75 -27,-2.2 2,-0.3 -2,-0.3 -26,-0.1 0.611 102.7 -3.0 -76.3 -16.1 31.6 -8.8 20.0 57 97 A D S S- 0 0 53 -28,-0.3 2,-2.0 10,-0.2 -1,-0.1 -0.936 100.8 -66.9-160.8-178.6 29.9 -11.0 17.5 58 98 A T + 0 0 61 -2,-0.3 2,-0.1 7,-0.1 9,-0.1 -0.467 69.4 164.8 -83.6 76.8 29.0 -11.0 13.8 59 99 A I - 0 0 18 -2,-2.0 2,-0.7 8,-0.2 -30,-0.0 -0.384 42.6-107.2 -92.7 167.3 26.5 -8.1 13.7 60 100 A E + 0 0 51 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.840 39.8 163.0 -91.2 108.2 25.0 -6.0 10.9 61 101 A T + 0 0 7 -2,-0.7 2,-0.4 1,-0.2 -1,-0.1 0.577 67.1 45.2-100.9 -5.7 26.4 -2.6 10.9 62 102 A D 0 0 52 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.997 360.0 360.0-138.0 120.7 25.3 -1.6 7.4 63 103 A T 0 0 65 -2,-0.4 222,-0.1 -3,-0.1 -3,-0.0 -0.336 360.0 360.0 -53.2 360.0 21.9 -2.2 5.8 64 ! 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 65 121 A P 0 0 100 0, 0.0 2,-0.2 0, 0.0 -7,-0.1 0.000 360.0 360.0 360.0 155.8 32.5 -13.8 8.5 66 122 A D - 0 0 94 2,-0.1 71,-0.1 1,-0.1 -9,-0.1 -0.652 360.0-116.6-100.2 160.6 34.7 -12.6 11.4 67 123 A K S S+ 0 0 110 -2,-0.2 -12,-1.1 1,-0.1 2,-0.4 0.773 106.5 33.3 -63.1 -27.0 33.8 -10.3 14.3 68 124 A S E S+E 54 0A 61 -14,-0.2 2,-0.3 -12,-0.1 -14,-0.2 -0.990 73.7 142.3-134.6 144.4 36.4 -8.0 12.9 69 125 A Y E -E 53 0A 26 -16,-1.5 -16,-2.3 -2,-0.4 2,-0.3 -0.976 38.1-121.2-163.6 168.1 37.4 -7.2 9.3 70 126 A L E +E 52 0A 103 -2,-0.3 66,-2.3 -18,-0.2 2,-0.3 -0.897 32.7 178.1-116.8 153.3 38.5 -4.6 6.8 71 127 A A E -EF 51 135A 16 -20,-2.5 -20,-1.8 -2,-0.3 2,-0.6 -0.998 33.2-130.1-150.6 157.5 36.7 -3.8 3.6 72 128 A A E +E 50 0A 21 62,-1.9 -22,-0.3 -2,-0.3 3,-0.1 -0.944 27.4 177.4-105.1 115.2 36.6 -1.6 0.5 73 129 A R E + 0 0 21 -24,-2.3 2,-0.4 -2,-0.6 -23,-0.2 0.947 63.4 4.5 -84.4 -53.3 33.1 -0.3 0.2 74 130 A E E +E 49 0A 4 -25,-1.7 -25,-2.9 34,-0.1 -1,-0.3 -0.986 55.4 164.0-136.6 143.8 33.3 2.0 -2.8 75 131 A F E +EG 48 94A 65 19,-2.2 19,-1.7 -2,-0.4 2,-0.3 -0.779 25.3 142.3-156.4 112.7 36.0 2.8 -5.3 76 132 A W E -EG 47 93A 22 -29,-2.3 -29,-2.4 -2,-0.2 2,-0.4 -0.979 40.5-139.7-150.3 162.5 35.2 4.6 -8.6 77 133 A V E -EG 46 92A 55 15,-2.7 15,-3.1 -2,-0.3 2,-0.4 -0.927 25.4-163.0-118.9 149.4 36.0 7.0 -11.2 78 134 A D E -EG 45 91A 8 -33,-2.8 -33,-1.8 -2,-0.4 2,-0.5 -0.988 10.5-162.2-136.5 138.5 33.3 9.2 -12.8 79 135 A Y E +EG 44 90A 68 11,-2.8 11,-2.6 -2,-0.4 3,-0.2 -0.983 11.1 174.0-126.5 123.1 33.1 11.2 -15.9 80 136 A A + 0 0 30 -37,-2.8 3,-0.4 -2,-0.5 8,-0.2 0.238 55.8 93.3-107.3 10.8 30.5 14.0 -16.3 81 137 A G + 0 0 22 -38,-0.3 -1,-0.1 1,-0.2 8,-0.1 0.441 51.3 91.5 -92.7 1.2 31.5 15.5 -19.6 82 138 A L S S+ 0 0 105 -3,-0.2 2,-0.3 -39,-0.1 -1,-0.2 0.899 104.6 7.0 -59.9 -40.6 29.5 13.6 -22.2 83 139 A T S S- 0 0 51 -3,-0.4 5,-0.1 5,-0.2 -1,-0.1 -0.925 74.2-116.0-135.7 164.4 26.8 16.3 -21.9 84 140 A A S S+ 0 0 105 -2,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.560 79.7 112.0 -74.7 -8.5 26.4 19.7 -20.1 85 141 A Y > - 0 0 131 1,-0.2 3,-1.7 2,-0.1 -2,-0.2 -0.540 61.8-149.4 -69.7 120.7 23.5 18.4 -17.9 86 142 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 32,-0.1 0.787 94.9 58.0 -65.1 -28.7 24.8 18.3 -14.3 87 143 A G T 3 S+ 0 0 27 30,-0.4 30,-1.2 29,-0.0 2,-0.5 0.304 92.5 89.5 -80.5 10.3 22.6 15.3 -13.4 88 144 A E E < + H 0 116A 0 -3,-1.7 2,-0.3 28,-0.2 -5,-0.2 -0.935 51.2 136.1-112.6 124.7 24.2 13.3 -16.2 89 145 A H E - H 0 115A 35 26,-1.9 26,-2.8 -2,-0.5 2,-0.5 -0.991 44.3-128.4-162.1 160.5 27.4 11.2 -15.6 90 146 A L E -GH 79 114A 56 -11,-2.6 -11,-2.8 -2,-0.3 2,-0.4 -0.971 25.8-161.9-118.8 126.7 29.0 7.9 -16.3 91 147 A R E -GH 78 113A 36 22,-2.5 22,-2.4 -2,-0.5 2,-0.5 -0.938 7.0-171.6-120.2 130.6 30.4 6.0 -13.3 92 148 A F E +GH 77 112A 131 -15,-3.1 -15,-2.7 -2,-0.4 2,-0.3 -0.970 47.0 35.5-124.8 120.4 33.0 3.1 -13.4 93 149 A G E S-GH 76 111A 17 18,-2.3 18,-2.1 -2,-0.5 2,-0.6 -0.852 101.9 -27.3 139.3-171.2 33.9 1.0 -10.4 94 150 A R E S+GH 75 110A 22 -19,-1.7 -19,-2.2 16,-0.3 2,-0.3 -0.690 83.4 157.2 -78.1 120.5 32.4 -0.5 -7.2 95 151 A Q E - 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