==== 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 2Y0L . COMPND 2 MOLECULE: CIS-ACONITATE PORIN OPDH; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.S.TOUW,J.VIJAYARAGHAVAN,B.VANDENBERG . 362 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 79.0 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 58.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 . 38 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.2 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 3 0 0 0 1 0 3 5 3 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 12 A A 0 0 96 0, 0.0 2,-0.3 0, 0.0 42,-0.2 0.000 360.0 360.0 360.0 128.2 20.2 7.4 6.7 2 13 A G > - 0 0 0 40,-0.1 4,-2.3 1,-0.1 40,-0.2 -0.953 360.0 -69.4 166.8 173.3 17.3 5.4 8.1 3 14 A F T 4 S+ 0 0 70 -2,-0.3 37,-2.1 1,-0.2 -1,-0.1 0.880 132.2 21.6 -53.2 -42.9 14.0 5.1 9.8 4 15 A L T >4 S+ 0 0 123 35,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.791 119.1 61.2 -96.7 -35.9 15.5 6.1 13.2 5 16 A E T 34 S+ 0 0 125 1,-0.2 -2,-0.2 36,-0.1 -1,-0.1 0.796 116.5 32.7 -64.1 -28.7 18.5 7.9 11.9 6 17 A D T 3< S+ 0 0 79 -4,-2.3 -1,-0.2 35,-0.1 -2,-0.2 0.367 90.9 123.9-108.5 3.4 16.4 10.5 10.1 7 18 A S < - 0 0 18 -3,-0.7 2,-0.3 -5,-0.2 32,-0.3 -0.316 40.7-165.1 -67.9 148.1 13.4 10.5 12.5 8 19 A K - 0 0 111 30,-3.1 2,-0.4 358,-0.1 30,-0.1 -0.982 5.2-172.0-133.1 145.1 12.4 13.9 14.0 9 20 A A + 0 0 10 -2,-0.3 356,-3.2 28,-0.2 357,-1.8 -0.999 8.7 165.2-139.2 141.8 10.1 14.6 16.9 10 21 A S E -AB 36 364A 25 26,-2.1 26,-1.7 -2,-0.4 2,-0.4 -0.995 25.2-138.8-152.4 154.3 8.6 17.8 18.3 11 22 A L E -AB 35 363A 47 352,-2.9 352,-3.9 -2,-0.3 2,-0.4 -0.945 18.8-162.5-113.5 135.0 5.9 19.0 20.7 12 23 A E E -AB 34 362A 26 22,-2.4 22,-1.4 -2,-0.4 2,-0.4 -0.957 3.0-155.4-119.4 138.3 3.7 21.9 19.9 13 24 A T E -AB 33 361A 37 348,-3.0 348,-1.6 -2,-0.4 2,-0.4 -0.879 6.7-170.7-108.5 140.9 1.6 24.0 22.3 14 25 A R E -AB 32 360A 27 18,-1.8 18,-1.5 -2,-0.4 2,-0.6 -0.977 4.5-173.3-132.7 123.1 -1.5 26.0 21.3 15 26 A N E -AB 31 359A 51 344,-3.0 344,-2.3 -2,-0.4 2,-0.4 -0.932 16.5-173.6-117.5 107.3 -3.2 28.4 23.6 16 27 A F E +AB 30 358A 1 14,-3.1 14,-2.9 -2,-0.6 2,-0.4 -0.863 14.6 172.4-114.4 131.7 -6.4 29.7 22.1 17 28 A Y E -AB 29 357A 69 340,-2.5 340,-2.5 -2,-0.4 2,-0.4 -0.964 6.6-178.5-136.5 123.6 -8.9 32.4 23.3 18 29 A M E -AB 28 356A 5 10,-3.2 10,-2.4 -2,-0.4 338,-0.2 -0.918 8.7-172.3-121.5 147.4 -11.8 33.8 21.3 19 30 A N E -A 27 0A 42 336,-2.2 2,-0.4 -2,-0.4 8,-0.2 -0.610 7.0-172.1-141.3 78.7 -14.3 36.5 22.2 20 31 A R E -A 26 0A 64 6,-2.0 6,-2.4 -2,-0.2 2,-0.5 -0.566 4.6-164.2 -77.2 126.0 -17.3 37.0 19.8 21 32 A D E -C 353 0A 39 332,-3.9 332,-2.3 -2,-0.4 2,-1.0 -0.929 11.6-147.2-103.6 124.7 -19.6 40.0 20.4 22 33 A F E C 352 0A 50 -2,-0.5 330,-0.2 330,-0.2 -2,-0.0 -0.742 360.0 360.0 -96.3 96.0 -23.0 39.8 18.6 23 34 A R 0 0 168 -2,-1.0 -1,-0.2 328,-1.0 329,-0.1 0.934 360.0 360.0 -74.3 360.0 -23.8 43.4 17.8 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 41 A K 0 0 167 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 0.000 360.0 360.0 360.0 138.1 -21.3 37.8 23.7 26 42 A R E -A 20 0A 150 -6,-2.4 -6,-2.0 2,-0.0 2,-0.3 -0.928 360.0-162.2-154.6 126.3 -19.4 34.4 23.7 27 43 A E E -A 19 0A 85 35,-0.8 35,-0.6 -2,-0.3 2,-0.4 -0.708 2.3-169.9-104.7 153.5 -16.0 33.3 24.9 28 44 A E E -AD 18 61A 31 -10,-2.4 -10,-3.2 -2,-0.3 2,-0.4 -0.973 3.5-178.2-144.2 130.2 -13.9 30.3 24.0 29 45 A W E +AD 17 60A 96 31,-2.1 31,-2.4 -2,-0.4 2,-0.3 -0.994 13.7 163.7-130.6 127.7 -10.7 29.1 25.7 30 46 A A E -AD 16 59A 1 -14,-2.9 -14,-3.1 -2,-0.4 2,-0.3 -0.990 17.8-170.0-148.4 153.0 -8.8 26.1 24.6 31 47 A Q E +AD 15 58A 56 27,-2.1 27,-2.5 -2,-0.3 2,-0.3 -0.998 15.7 158.5-143.5 144.8 -5.4 24.4 24.9 32 48 A G E -AD 14 57A 1 -18,-1.5 -18,-1.8 -2,-0.3 2,-0.3 -0.983 25.1-140.1-157.6 164.3 -3.9 21.4 23.2 33 49 A F E -AD 13 56A 93 23,-2.5 23,-2.0 -2,-0.3 2,-0.4 -0.943 8.1-169.5-123.6 150.5 -0.7 19.6 22.2 34 50 A I E -AD 12 55A 8 -22,-1.4 -22,-2.4 -2,-0.3 2,-0.7 -0.979 8.1-159.5-130.8 127.3 0.3 17.9 19.1 35 51 A L E -AD 11 54A 78 19,-2.4 19,-2.0 -2,-0.4 2,-0.5 -0.931 9.2-152.6-105.9 114.0 3.4 15.8 19.0 36 52 A N E +AD 10 53A 30 -26,-1.7 -26,-2.1 -2,-0.7 17,-0.2 -0.717 15.9 178.6 -82.8 125.3 4.7 15.3 15.5 37 53 A L + 0 0 72 15,-2.8 2,-0.2 -2,-0.5 -28,-0.2 -0.323 9.5 169.3-125.6 48.3 6.6 12.0 15.3 38 54 A Q - 0 0 75 13,-0.2 -30,-3.1 -30,-0.1 13,-0.2 -0.441 19.0-153.4 -66.5 130.1 7.7 11.9 11.6 39 55 A S - 0 0 9 11,-1.2 -35,-0.2 -32,-0.3 2,-0.1 -0.349 15.5-108.0 -91.3 177.9 10.2 9.1 11.0 40 56 A G - 0 0 5 -37,-2.1 2,-0.4 -38,-0.2 10,-0.3 -0.397 41.0 -86.4 -96.1-179.4 12.8 8.9 8.3 41 57 A Y - 0 0 44 -39,-0.2 8,-0.2 -2,-0.1 3,-0.1 -0.766 35.4-117.8 -94.2 132.8 12.8 6.6 5.2 42 58 A T - 0 0 58 6,-2.2 -40,-0.1 -2,-0.4 2,-0.1 -0.289 48.2 -96.1 -55.9 154.3 14.2 3.1 5.3 43 59 A Q S S+ 0 0 144 -42,-0.2 2,-0.2 4,-0.1 3,-0.2 -0.420 75.5 60.6 -87.1 154.4 17.1 2.8 2.8 44 60 A G S S- 0 0 61 1,-0.2 3,-0.2 -2,-0.1 -3,-0.0 -0.662 99.3 -46.5 127.5 178.8 17.1 1.7 -0.8 45 61 A T S S+ 0 0 127 1,-0.2 34,-0.6 -2,-0.2 2,-0.5 0.908 132.4 29.6 -47.3 -51.6 15.5 2.5 -4.1 46 62 A V E S- E 0 78A 82 -3,-0.2 2,-0.2 32,-0.2 32,-0.2 -0.957 82.4-157.3-118.7 117.6 12.0 2.9 -2.5 47 63 A G E - E 0 77A 5 30,-2.6 30,-2.7 -2,-0.5 2,-0.4 -0.606 1.5-150.8 -94.4 149.1 11.9 4.0 1.2 48 64 A F E + E 0 76A 92 -2,-0.2 -6,-2.2 28,-0.2 2,-0.3 -0.951 21.9 164.8-119.5 142.7 9.1 3.3 3.6 49 65 A G E - E 0 75A 0 26,-3.0 26,-2.8 -2,-0.4 2,-0.3 -0.880 23.9-142.9-146.0 176.6 8.2 5.6 6.5 50 66 A L E - E 0 74A 67 -10,-0.3 -11,-1.2 -2,-0.3 2,-0.4 -0.960 8.1-161.4-151.3 125.5 5.6 6.4 9.1 51 67 A D E - E 0 73A 23 22,-2.6 22,-2.1 -2,-0.3 2,-0.4 -0.865 8.0-161.5-108.3 142.5 4.5 9.7 10.6 52 68 A A E - E 0 72A 19 -2,-0.4 -15,-2.8 20,-0.2 2,-0.4 -0.966 7.7-167.9-123.7 142.3 2.5 10.0 13.8 53 69 A M E -DE 36 71A 33 18,-3.0 18,-3.6 -2,-0.4 2,-0.7 -0.879 7.1-171.3-130.6 99.7 0.4 12.9 15.0 54 70 A G E -DE 35 70A 17 -19,-2.0 -19,-2.4 -2,-0.4 2,-0.3 -0.818 10.8-179.2 -95.7 111.2 -0.6 12.7 18.7 55 71 A M E +DE 34 69A 7 14,-2.3 14,-1.4 -2,-0.7 2,-0.3 -0.861 10.6 170.5-115.4 151.2 -3.1 15.4 19.7 56 72 A L E +DE 33 68A 107 -23,-2.0 -23,-2.5 -2,-0.3 2,-0.3 -0.954 12.6 156.5-157.4 124.6 -4.7 16.2 23.0 57 73 A G E -DE 32 67A 10 10,-2.2 10,-2.6 -2,-0.3 2,-0.3 -0.932 25.7-149.4-148.6 171.1 -6.8 19.2 24.0 58 74 A V E -DE 31 66A 44 -27,-2.5 -27,-2.1 -2,-0.3 2,-0.3 -0.990 15.0-165.8-141.1 149.0 -9.4 20.7 26.3 59 75 A K E -DE 30 65A 13 6,-1.3 6,-1.3 -2,-0.3 2,-0.4 -0.987 8.0-161.3-139.1 149.6 -12.0 23.5 25.7 60 76 A L E -D 29 0A 79 -31,-2.4 -31,-2.1 -2,-0.3 2,-0.1 -0.997 10.7-162.4-129.6 133.8 -14.3 25.7 27.8 61 77 A D E D 28 0A 103 -2,-0.4 -33,-0.2 -33,-0.2 -35,-0.0 -0.436 360.0 360.0-102.2 177.0 -17.3 27.7 26.5 62 78 A S 0 0 96 -35,-0.6 -35,-0.8 -2,-0.1 -2,-0.0 -0.618 360.0 360.0-157.4 360.0 -19.3 30.6 27.9 63 ! 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 64 97 A P 0 0 120 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 0.000 360.0 360.0 360.0-166.7 -15.4 21.0 29.6 65 98 A D E -E 59 0A 72 -6,-1.3 -6,-1.3 2,-0.0 2,-0.1 -0.951 360.0-146.8-141.7 122.3 -14.9 18.9 26.4 66 99 A T E -E 58 0A 106 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.3 -0.445 6.0-142.3 -84.7 159.6 -11.6 17.1 25.7 67 100 A Y E +E 57 0A 79 -10,-2.6 -10,-2.2 -2,-0.1 2,-0.4 -0.988 22.0 172.9-124.6 132.9 -10.1 16.5 22.2 68 101 A S E +E 56 0A 95 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.956 8.5 148.2-146.4 122.3 -8.3 13.3 21.3 69 102 A K E -E 55 0A 34 -14,-1.4 -14,-2.3 -2,-0.4 2,-0.6 -0.974 28.0-152.1-152.5 135.5 -7.0 11.9 18.0 70 103 A L E -E 54 0A 128 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.2 -0.941 19.0-154.2-110.2 110.5 -4.0 9.7 17.1 71 104 A G E +E 53 0A 1 -18,-3.6 -18,-3.0 -2,-0.6 2,-0.4 -0.733 15.5 177.6 -88.0 126.1 -2.8 10.5 13.6 72 105 A L E +E 52 0A 85 -2,-0.5 15,-3.2 -20,-0.2 2,-0.4 -0.990 2.1 179.2-127.5 138.3 -1.0 7.7 11.7 73 106 A T E -EF 51 86A 12 -22,-2.1 -22,-2.6 -2,-0.4 2,-0.3 -0.947 17.0-150.7-144.3 115.0 0.3 8.0 8.1 74 107 A A E -EF 50 85A 36 11,-3.2 11,-2.5 -2,-0.4 2,-0.4 -0.679 22.1-166.9 -80.1 136.9 2.1 5.4 6.1 75 108 A K E -EF 49 84A 15 -26,-2.8 -26,-3.0 -2,-0.3 2,-0.4 -0.976 13.4-173.2-130.9 147.4 4.5 6.9 3.6 76 109 A V E -EF 48 83A 55 7,-2.3 7,-2.5 -2,-0.4 2,-0.4 -0.999 9.0-171.0-140.2 130.4 6.4 5.4 0.6 77 110 A K E +EF 47 82A 84 -30,-2.7 -30,-2.6 -2,-0.4 2,-0.4 -0.981 14.4 162.5-135.4 130.6 9.0 7.3 -1.4 78 111 A V E > -EF 46 81A 60 3,-2.2 3,-2.4 -2,-0.4 2,-0.2 -0.988 68.1 -34.7-143.8 133.9 10.8 6.6 -4.6 79 112 A S T 3 S- 0 0 65 -34,-0.6 35,-0.0 -2,-0.4 37,-0.0 -0.359 124.2 -28.7 57.3-119.7 12.6 9.1 -6.8 80 113 A Q T 3 S+ 0 0 116 -2,-0.2 35,-2.8 -3,-0.0 2,-0.4 -0.075 119.0 98.3-115.2 31.2 10.6 12.4 -6.5 81 114 A S E < -FG 78 114A 23 -3,-2.4 -3,-2.2 33,-0.3 2,-0.4 -0.950 48.5-175.7-124.2 141.0 7.3 10.6 -5.9 82 115 A E E -FG 77 113A 41 31,-3.0 31,-2.7 -2,-0.4 2,-0.4 -0.985 9.5-165.2-144.9 126.1 5.6 10.1 -2.6 83 116 A L E -FG 76 112A 72 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.4 -0.910 8.2-170.9-109.5 136.6 2.5 8.2 -1.5 84 117 A K E -FG 75 111A 53 27,-2.0 27,-2.6 -2,-0.4 2,-0.5 -0.993 2.6-173.1-129.8 128.0 0.9 8.7 1.9 85 118 A V E +FG 74 110A 73 -11,-2.5 -11,-3.2 -2,-0.4 2,-0.4 -0.977 56.9 23.0-123.2 127.9 -1.9 6.7 3.3 86 119 A G E S+FG 73 109A 12 23,-2.9 23,-1.9 -2,-0.5 -13,-0.3 -0.983 107.1 24.7 124.9-138.8 -3.6 7.5 6.6 87 120 A T E + G 0 108A 8 -15,-3.2 2,-0.3 -2,-0.4 21,-0.2 -0.387 69.6 174.6 -69.7 133.9 -3.7 10.9 8.2 88 121 A L E - 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