==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 22-JUL-11 3T20 . COMPND 2 MOLECULE: CIS-ACONITATE PORIN OPDH; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.VAN DEN BERG,E.EREN . 362 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 78.7 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 . 212 58.6 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 . 2 0.6 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 . 36 9.9 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 2 6 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 1 A A 0 0 73 0, 0.0 2,-0.3 0, 0.0 42,-0.2 0.000 360.0 360.0 360.0 131.8 20.3 7.6 6.9 2 2 A G > - 0 0 4 40,-0.1 4,-2.4 1,-0.1 40,-0.2 -0.961 360.0 -60.4 164.7 178.8 17.3 5.5 8.0 3 3 A F T 4 S+ 0 0 69 -2,-0.3 37,-2.3 1,-0.2 -1,-0.1 0.896 134.4 20.9 -53.3 -45.3 14.0 5.1 9.8 4 4 A L T >4 S+ 0 0 122 35,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.825 119.9 61.0 -93.0 -39.0 15.5 6.1 13.2 5 5 A E T 34 S+ 0 0 132 1,-0.3 -2,-0.2 36,-0.1 -1,-0.1 0.812 116.7 32.4 -61.0 -31.8 18.6 7.9 11.9 6 6 A D T 3< S+ 0 0 79 -4,-2.4 -1,-0.3 35,-0.1 -2,-0.2 0.379 92.1 123.7-105.9 3.3 16.4 10.5 10.1 7 7 A S < - 0 0 20 -3,-0.8 2,-0.3 -5,-0.2 32,-0.3 -0.255 41.0-164.0 -66.5 152.0 13.4 10.5 12.5 8 8 A K - 0 0 119 30,-3.1 2,-0.4 358,-0.1 30,-0.2 -0.989 6.9-171.9-137.8 145.9 12.3 13.8 14.0 9 9 A A + 0 0 10 -2,-0.3 356,-3.0 28,-0.2 357,-1.4 -0.999 9.1 164.2-140.1 141.9 10.1 14.6 17.0 10 10 A S E -AB 36 364A 25 26,-1.9 26,-1.8 -2,-0.4 2,-0.4 -0.992 25.3-139.4-152.7 152.3 8.6 17.8 18.3 11 11 A L E -AB 35 363A 45 352,-2.9 352,-4.1 -2,-0.3 2,-0.4 -0.935 18.7-162.2-110.3 135.5 5.9 19.0 20.7 12 12 A E E -AB 34 362A 29 22,-2.4 22,-1.6 -2,-0.4 2,-0.4 -0.956 2.0-156.5-117.3 140.4 3.7 21.9 19.9 13 13 A T E -AB 33 361A 37 348,-3.0 348,-1.7 -2,-0.4 2,-0.4 -0.902 7.0-172.6-111.1 142.2 1.6 24.0 22.2 14 14 A R E -AB 32 360A 27 18,-1.8 18,-1.4 -2,-0.4 2,-0.6 -0.959 5.7-173.0-134.7 119.2 -1.4 26.1 21.3 15 15 A N E -AB 31 359A 54 344,-3.0 344,-2.4 -2,-0.4 2,-0.4 -0.947 17.5-173.0-109.5 114.8 -3.3 28.4 23.7 16 16 A F E +AB 30 358A 1 14,-3.2 14,-2.8 -2,-0.6 2,-0.4 -0.900 13.9 174.4-117.8 131.9 -6.4 29.7 22.1 17 17 A Y E -AB 29 357A 72 340,-2.4 340,-2.3 -2,-0.4 2,-0.4 -0.972 5.6-177.2-136.4 124.6 -8.9 32.4 23.3 18 18 A M E -AB 28 356A 6 10,-3.0 10,-2.3 -2,-0.4 2,-0.3 -0.936 8.4-171.6-122.9 144.9 -11.8 33.8 21.3 19 19 A N E -A 27 0A 44 336,-2.6 2,-0.4 -2,-0.4 336,-0.4 -0.653 7.2-172.3-138.4 81.5 -14.3 36.5 22.2 20 20 A R E -A 26 0A 62 6,-2.0 6,-2.4 -2,-0.3 2,-0.5 -0.588 4.5-164.9 -79.0 126.2 -17.3 37.0 19.9 21 21 A D E -C 353 0A 39 332,-3.9 332,-2.4 -2,-0.4 2,-1.0 -0.939 11.7-147.7-104.8 124.8 -19.6 40.0 20.4 22 22 A F E C 352 0A 50 -2,-0.5 330,-0.2 330,-0.2 -2,-0.0 -0.741 360.0 360.0 -97.2 94.6 -23.0 39.8 18.6 23 23 A R 0 0 169 -2,-1.0 -1,-0.2 328,-1.0 329,-0.1 0.942 360.0 360.0 -72.7 360.0 -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 30 A K 0 0 168 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 0.000 360.0 360.0 360.0 138.9 -21.3 37.8 23.8 26 31 A R E -A 20 0A 149 -6,-2.4 -6,-2.0 2,-0.0 2,-0.3 -0.932 360.0-161.5-155.6 128.8 -19.4 34.4 23.7 27 32 A E E -A 19 0A 86 35,-0.8 35,-0.6 -2,-0.3 2,-0.3 -0.716 2.7-169.5-106.7 154.1 -16.0 33.3 24.9 28 33 A E E -AD 18 61A 32 -10,-2.3 -10,-3.0 -2,-0.3 2,-0.4 -0.974 3.0-176.9-145.6 131.8 -14.0 30.3 24.0 29 34 A W E +AD 17 60A 122 31,-2.2 31,-2.7 -2,-0.3 2,-0.3 -0.992 12.3 165.2-130.6 128.3 -10.8 29.0 25.6 30 35 A A E -AD 16 59A 2 -14,-2.8 -14,-3.2 -2,-0.4 2,-0.3 -0.997 16.2-173.9-147.3 149.1 -8.8 26.0 24.5 31 36 A Q E +AD 15 58A 61 27,-2.0 27,-2.6 -2,-0.3 2,-0.3 -0.997 16.3 159.0-140.7 143.3 -5.4 24.4 24.9 32 37 A G E -AD 14 57A 1 -18,-1.4 -18,-1.8 -2,-0.3 2,-0.3 -0.978 26.1-137.4-156.0 163.9 -3.9 21.4 23.2 33 38 A F E -AD 13 56A 94 23,-2.5 23,-1.8 -2,-0.3 2,-0.4 -0.935 8.7-167.8-122.9 150.5 -0.7 19.6 22.3 34 39 A I E -AD 12 55A 6 -22,-1.6 -22,-2.4 -2,-0.3 2,-0.7 -0.971 4.9-163.8-132.2 119.0 0.4 18.0 19.1 35 40 A L E -AD 11 54A 79 19,-2.4 19,-2.3 -2,-0.4 2,-0.5 -0.925 9.5-155.4-102.5 113.8 3.4 15.8 19.0 36 41 A N E -AD 10 53A 34 -26,-1.8 -26,-1.9 -2,-0.7 17,-0.2 -0.737 13.7-180.0 -83.4 129.1 4.7 15.2 15.5 37 42 A L + 0 0 72 15,-2.9 2,-0.4 -2,-0.5 -28,-0.2 -0.329 9.0 170.1-128.4 49.5 6.6 12.0 15.3 38 43 A Q - 0 0 82 13,-0.2 -30,-3.1 -30,-0.2 13,-0.2 -0.499 19.2-153.0 -71.0 122.0 7.7 11.8 11.6 39 44 A S - 0 0 9 11,-1.6 -35,-0.2 -2,-0.4 2,-0.1 -0.248 16.8-107.5 -81.2 176.0 10.2 9.0 11.1 40 45 A G - 0 0 5 -37,-2.3 2,-0.4 -38,-0.2 10,-0.3 -0.412 41.2 -87.0 -94.6 177.7 12.8 8.9 8.3 41 46 A Y - 0 0 47 -39,-0.2 8,-0.2 -2,-0.1 3,-0.1 -0.722 36.6-117.7 -90.8 135.4 12.8 6.7 5.3 42 47 A T - 0 0 57 6,-1.9 2,-0.1 -2,-0.4 -40,-0.1 -0.321 47.2 -92.6 -60.9 155.7 14.2 3.2 5.3 43 48 A Q S S+ 0 0 142 -42,-0.2 2,-0.2 4,-0.1 3,-0.2 -0.431 76.7 58.1 -85.0 148.9 17.1 2.8 2.9 44 49 A G S S- 0 0 60 1,-0.2 3,-0.2 -2,-0.1 -3,-0.0 -0.708 98.9 -47.7 131.8 178.3 17.0 1.7 -0.8 45 50 A T S S+ 0 0 127 -2,-0.2 34,-0.6 1,-0.2 2,-0.5 0.890 131.6 30.8 -47.7 -48.0 15.4 2.6 -4.1 46 51 A V E S- E 0 78A 84 -3,-0.2 32,-0.2 32,-0.2 -1,-0.2 -0.961 82.4-155.7-121.2 118.2 12.0 2.9 -2.4 47 52 A G E - E 0 77A 6 30,-2.6 30,-2.3 -2,-0.5 2,-0.4 -0.558 0.7-152.1 -91.9 151.8 11.8 4.0 1.2 48 53 A F E + E 0 76A 93 28,-0.2 -6,-1.9 -2,-0.2 2,-0.3 -0.969 21.7 164.3-122.6 143.0 9.1 3.4 3.7 49 54 A G E - E 0 75A 0 26,-2.9 26,-2.5 -2,-0.4 2,-0.3 -0.879 24.9-141.9-147.1 176.7 8.2 5.6 6.6 50 55 A L E - E 0 74A 65 -10,-0.3 -11,-1.6 -2,-0.3 2,-0.4 -0.958 8.8-161.8-150.6 123.7 5.6 6.3 9.2 51 56 A D E - E 0 73A 24 22,-2.7 22,-2.2 -2,-0.3 2,-0.4 -0.870 8.0-162.9-106.3 141.3 4.4 9.7 10.6 52 57 A A E - E 0 72A 21 -2,-0.4 -15,-2.9 20,-0.2 2,-0.4 -0.967 7.5-168.6-122.7 142.7 2.5 10.0 13.8 53 58 A M E -DE 36 71A 40 18,-2.7 18,-3.8 -2,-0.4 2,-0.7 -0.891 7.3-167.4-131.8 101.5 0.5 13.0 15.1 54 59 A G E -DE 35 70A 18 -19,-2.3 -19,-2.4 -2,-0.4 2,-0.4 -0.809 10.3-174.8 -96.0 114.3 -0.6 12.8 18.7 55 60 A M E +DE 34 69A 8 14,-2.6 14,-1.2 -2,-0.7 2,-0.3 -0.852 12.0 167.3-114.8 145.3 -3.2 15.4 19.7 56 61 A L E +DE 33 68A 107 -23,-1.8 -23,-2.5 -2,-0.4 2,-0.3 -0.934 13.7 154.2-156.5 124.0 -4.7 16.2 23.1 57 62 A G E -DE 32 67A 9 10,-2.1 10,-2.7 -2,-0.3 2,-0.3 -0.942 26.3-151.1-149.6 168.5 -6.8 19.2 24.0 58 63 A V E -DE 31 66A 60 -27,-2.6 -27,-2.0 -2,-0.3 2,-0.3 -0.994 14.3-164.7-141.4 146.8 -9.5 20.7 26.3 59 64 A K E -DE 30 65A 17 6,-1.6 6,-1.4 -2,-0.3 2,-0.4 -0.984 7.7-160.7-136.3 147.7 -12.0 23.5 25.7 60 65 A L E -D 29 0A 82 -31,-2.7 -31,-2.2 -2,-0.3 2,-0.1 -0.991 11.1-162.2-126.7 134.2 -14.3 25.7 27.8 61 66 A D E D 28 0A 102 -2,-0.4 -33,-0.2 -33,-0.2 -35,-0.0 -0.454 360.0 360.0-102.5 174.2 -17.4 27.6 26.5 62 67 A S 0 0 97 -35,-0.6 -35,-0.8 -2,-0.1 -2,-0.0 -0.661 360.0 360.0-157.2 360.0 -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 86 A P 0 0 119 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 0.000 360.0 360.0 360.0-154.2 -15.5 21.0 29.5 65 87 A D E -E 59 0A 69 -6,-1.4 -6,-1.6 2,-0.0 2,-0.1 -0.953 360.0-149.9-140.1 121.8 -14.9 18.9 26.4 66 88 A T E -E 58 0A 106 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.3 -0.452 8.0-141.8 -83.8 161.5 -11.6 17.1 25.7 67 89 A Y E +E 57 0A 79 -10,-2.7 -10,-2.1 -2,-0.1 2,-0.4 -0.991 21.0 175.5-127.2 135.0 -10.1 16.4 22.3 68 90 A S E +E 56 0A 94 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.929 9.9 147.3-148.2 116.5 -8.3 13.2 21.3 69 91 A K E -E 55 0A 37 -14,-1.2 -14,-2.6 -2,-0.4 2,-0.6 -0.993 27.6-153.2-147.8 138.8 -6.9 12.0 18.0 70 92 A L E -E 54 0A 128 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.2 -0.962 18.1-152.3-113.0 113.0 -3.9 9.8 17.0 71 93 A G E +E 53 0A 2 -18,-3.8 -18,-2.7 -2,-0.6 2,-0.4 -0.747 16.6 177.6 -86.7 125.4 -2.7 10.5 13.6 72 94 A L E +E 52 0A 86 -2,-0.5 15,-2.8 -20,-0.2 2,-0.4 -0.996 1.3 178.0-127.2 135.5 -1.0 7.7 11.7 73 95 A T E -EF 51 86A 10 -22,-2.2 -22,-2.7 -2,-0.4 2,-0.3 -0.946 17.4-151.2-143.1 113.9 0.3 8.0 8.2 74 96 A A E -EF 50 85A 36 11,-3.0 11,-2.3 -2,-0.4 2,-0.4 -0.634 22.5-166.2 -77.7 140.6 2.2 5.4 6.1 75 97 A K E -EF 49 84A 15 -26,-2.5 -26,-2.9 -2,-0.3 2,-0.4 -0.990 14.6-173.4-136.0 147.2 4.5 6.8 3.6 76 98 A V E -EF 48 83A 55 7,-2.3 7,-2.6 -2,-0.4 2,-0.4 -1.000 8.6-172.3-141.2 133.5 6.4 5.5 0.6 77 99 A K E +EF 47 82A 71 -30,-2.3 -30,-2.6 -2,-0.4 2,-0.4 -0.987 13.1 163.6-139.4 129.5 8.9 7.3 -1.5 78 100 A V E > -EF 46 81A 60 3,-2.2 3,-2.3 -2,-0.4 2,-0.2 -0.986 67.9 -34.9-144.6 134.6 10.8 6.6 -4.7 79 101 A S T 3 S- 0 0 65 -34,-0.6 35,-0.0 -2,-0.4 37,-0.0 -0.348 124.9 -27.7 55.4-120.2 12.6 9.1 -6.8 80 102 A Q T 3 S+ 0 0 108 -2,-0.2 35,-3.2 -3,-0.0 2,-0.4 -0.091 119.0 98.0-114.2 32.7 10.6 12.4 -6.6 81 103 A S E < -FG 78 114A 22 -3,-2.3 -3,-2.2 33,-0.3 2,-0.4 -0.951 48.5-175.0-125.5 142.3 7.3 10.6 -5.9 82 104 A E E -FG 77 113A 41 31,-3.0 31,-2.9 -2,-0.4 2,-0.4 -0.987 9.1-165.2-145.0 126.9 5.6 10.1 -2.6 83 105 A L E -FG 76 112A 68 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.4 -0.932 8.2-171.5-110.6 134.0 2.5 8.2 -1.5 84 106 A K E -FG 75 111A 55 27,-1.9 27,-2.7 -2,-0.4 2,-0.5 -0.993 2.8-174.5-126.7 128.7 0.9 8.7 1.9 85 107 A V E +FG 74 110A 74 -11,-2.3 -11,-3.0 -2,-0.4 2,-0.4 -0.984 57.2 25.2-123.6 129.5 -1.9 6.7 3.3 86 108 A G E S+FG 73 109A 12 23,-2.7 23,-2.3 -2,-0.5 -13,-0.3 -0.985 106.8 23.2 123.9-138.4 -3.6 7.5 6.6 87 109 A T E + G 0 108A 10 -15,-2.8 2,-0.3 -2,-0.4 21,-0.2 -0.459 69.1 175.9 -75.4 131.0 -3.7 11.0 8.2 88 110 A L E - 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