==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 02-AUG-07 2QTK . COMPND 2 MOLECULE: PROBABLE PORIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.BISWAS,B.VAN DEN BERG . 739 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 75.4 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 . 436 59.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 . 56 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 9 2 0 0 1 1 0 5 8 5 3 7 3 3 0 0 0 0 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 2 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 4 A G >> 0 0 24 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 150.2 10.4 10.4 91.8 2 5 A F T 34 + 0 0 72 1,-0.3 38,-2.0 46,-0.2 48,-0.1 0.403 360.0 26.0 4.6 -74.0 11.2 14.0 92.9 3 6 A L T 34 S+ 0 0 144 36,-0.2 -1,-0.3 1,-0.1 39,-0.0 0.967 117.2 62.9 -68.5 -54.9 14.2 13.1 95.1 4 7 A E T <4 S+ 0 0 166 -3,-0.8 2,-0.8 1,-0.2 -2,-0.2 0.869 110.6 35.8 -33.1 -70.9 15.1 9.9 93.3 5 8 A D S < S+ 0 0 112 -4,-0.6 2,-0.3 36,-0.1 -1,-0.2 -0.827 81.3 137.3 -93.0 110.9 15.9 11.5 90.0 6 9 A A - 0 0 32 -2,-0.8 2,-0.3 33,-0.2 33,-0.3 -0.803 34.3-159.0-158.4 109.9 17.5 14.8 90.7 7 10 A K E -A 38 0A 90 31,-2.0 31,-3.2 -2,-0.3 2,-0.4 -0.694 5.2-169.9 -90.7 144.6 20.5 16.2 89.0 8 11 A T E -A 37 0A 34 366,-1.4 366,-1.8 -2,-0.3 2,-0.5 -0.966 8.6-167.4-135.3 114.2 22.6 18.9 90.7 9 12 A D E -AB 36 373A 46 27,-3.9 27,-3.6 -2,-0.4 2,-0.5 -0.926 9.5-175.5-115.4 127.0 25.2 20.6 88.5 10 13 A L E -AB 35 372A 24 362,-3.3 362,-3.2 -2,-0.5 2,-0.5 -0.965 5.0-174.3-117.1 126.4 27.9 22.8 89.7 11 14 A V E -AB 34 371A 37 23,-1.2 23,-1.7 -2,-0.5 2,-0.4 -0.972 11.8-155.1-127.7 118.4 30.2 24.5 87.1 12 15 A L E -AB 33 370A 58 358,-2.9 358,-2.3 -2,-0.5 2,-0.4 -0.763 17.2-173.5 -87.4 131.2 33.2 26.5 88.1 13 16 A R E -AB 32 369A 27 19,-3.0 19,-3.2 -2,-0.4 2,-0.5 -0.853 13.4-171.8-137.3 103.6 34.1 29.0 85.5 14 17 A N E -AB 31 368A 42 354,-2.7 354,-1.7 -2,-0.4 2,-0.5 -0.796 18.8-166.5 -90.0 127.4 37.2 31.2 85.5 15 18 A Y E -AB 30 367A 8 15,-3.0 15,-2.5 -2,-0.5 2,-0.6 -0.956 18.4-173.0-127.6 126.2 37.0 33.8 82.8 16 19 A Y E -AB 29 366A 75 350,-2.4 350,-1.6 -2,-0.5 2,-0.4 -0.964 14.5-171.0-114.7 118.3 39.6 36.1 81.3 17 20 A F E +AB 28 365A 0 11,-2.2 11,-1.1 -2,-0.6 2,-0.4 -0.911 7.4 176.9-113.4 134.0 38.3 38.6 78.8 18 21 A N E +AB 27 364A 26 346,-1.8 346,-2.2 -2,-0.4 2,-0.5 -0.946 6.5 170.3-141.4 121.0 40.4 40.9 76.6 19 22 A R E -AB 26 363A 41 7,-2.4 7,-2.2 -2,-0.4 2,-0.5 -0.973 8.1-176.7-129.9 116.6 39.2 43.3 74.0 20 23 A D E AB 25 362A 72 342,-2.6 342,-2.2 -2,-0.5 5,-0.2 -0.946 360.0 360.0-120.0 117.8 41.7 45.8 72.5 21 24 A F 0 0 80 3,-0.9 4,-0.1 -2,-0.5 339,-0.1 0.731 360.0 360.0 -78.1 360.0 40.7 48.4 69.9 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 31 A K 0 0 128 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 116.2 39.3 54.0 74.6 24 32 A S + 0 0 73 1,-0.2 -3,-0.9 -3,-0.1 2,-0.4 0.393 360.0 57.4-140.2 0.9 41.4 51.1 73.4 25 33 A L E +A 20 0A 105 -5,-0.2 2,-0.4 -4,-0.1 -5,-0.2 -0.968 38.8 174.2-148.5 132.3 41.5 48.4 76.1 26 34 A V E +A 19 0A 10 -7,-2.2 -7,-2.4 -2,-0.4 2,-0.2 -0.999 12.6 167.8-128.7 130.0 39.1 46.2 78.1 27 35 A D E +A 18 0A 73 -2,-0.4 2,-0.2 -9,-0.2 -9,-0.2 -0.655 5.7 170.0-149.9 88.6 40.6 43.5 80.4 28 36 A E E -A 17 0A 23 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.3 -0.632 13.4-169.5-100.8 157.8 38.4 41.7 82.9 29 37 A W E +A 16 0A 110 32,-0.6 31,-1.3 -2,-0.2 2,-0.3 -0.917 20.0 159.2-146.6 116.4 39.0 38.7 85.0 30 38 A A E -AC 15 59A 2 -15,-2.5 -15,-3.0 -2,-0.3 2,-0.4 -0.891 32.7-136.4-137.0 166.6 36.3 37.0 87.0 31 39 A Q E -AC 14 58A 45 27,-1.8 27,-2.3 -2,-0.3 2,-0.3 -0.992 25.6-165.3-125.6 126.2 35.3 33.7 88.6 32 40 A G E -AC 13 57A 0 -19,-3.2 -19,-3.0 -2,-0.4 2,-0.4 -0.839 13.9-164.3-117.5 153.9 31.8 32.3 88.1 33 41 A F E -AC 12 56A 81 23,-2.0 23,-2.1 -2,-0.3 2,-0.5 -1.000 5.3-174.3-131.2 126.9 29.7 29.6 89.8 34 42 A I E -AC 11 55A 5 -23,-1.7 -23,-1.2 -2,-0.4 2,-0.6 -0.891 5.5-174.2-128.6 100.6 26.6 28.2 88.1 35 43 A L E -AC 10 54A 72 19,-2.4 19,-2.7 -2,-0.5 2,-0.5 -0.860 2.8-175.2 -99.5 116.6 24.7 25.8 90.3 36 44 A K E -AC 9 53A 67 -27,-3.6 -27,-3.9 -2,-0.6 2,-0.4 -0.953 3.9-171.6-118.3 122.1 21.7 24.0 88.6 37 45 A F E -AC 8 52A 61 15,-2.6 15,-1.9 -2,-0.5 2,-0.4 -0.903 3.7-179.3-110.3 137.4 19.3 21.8 90.5 38 46 A S E -AC 7 51A 33 -31,-3.2 -31,-2.0 -2,-0.4 13,-0.2 -0.841 10.7-158.5-141.6 103.1 16.7 19.7 88.7 39 47 A S - 0 0 7 11,-2.2 -32,-0.2 -2,-0.4 -33,-0.2 0.063 20.6-111.4 -66.2-179.5 14.3 17.5 90.7 40 48 A G - 0 0 4 -38,-2.0 2,-0.4 -34,-0.1 10,-0.4 -0.140 37.9 -90.9 -97.4-160.9 12.5 14.5 89.4 41 49 A Y - 0 0 47 8,-0.1 8,-0.2 -2,-0.1 -39,-0.2 -0.945 36.6-110.4-118.3 139.5 8.7 14.3 88.8 42 50 A T - 0 0 42 6,-1.4 7,-0.0 -2,-0.4 0, 0.0 -0.423 45.7 -99.6 -66.3 139.0 6.3 13.0 91.5 43 51 A P S S+ 0 0 115 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.329 78.7 61.0 -59.2 139.7 4.8 9.6 90.5 44 52 A G S S- 0 0 57 1,-0.1 3,-0.0 -3,-0.1 -3,-0.0 -0.625 98.6 -52.9 133.8 169.3 1.4 9.8 88.9 45 53 A T S S+ 0 0 125 -2,-0.2 43,-0.5 1,-0.2 2,-0.5 0.798 129.8 35.9 -49.5 -31.4 -1.0 11.1 86.2 46 54 A V E S- D 0 87A 74 -3,-0.2 2,-0.4 41,-0.1 41,-0.2 -0.989 80.9-155.9-128.6 121.0 0.3 14.5 87.0 47 55 A G E - D 0 86A 0 39,-2.6 39,-2.9 -2,-0.5 2,-0.4 -0.835 5.7-161.4 -99.7 135.2 4.0 14.9 87.9 48 56 A V E + D 0 85A 69 -2,-0.4 -6,-1.4 37,-0.3 2,-0.3 -0.933 18.7 162.3-115.7 140.0 5.1 17.9 90.0 49 57 A G E - D 0 84A 9 35,-4.2 35,-3.5 -2,-0.4 2,-0.4 -0.919 27.1-131.8-147.8 174.6 8.7 19.1 90.2 50 58 A L E - D 0 83A 61 -10,-0.4 -11,-2.2 -2,-0.3 2,-0.3 -0.996 13.6-174.2-139.0 136.3 11.1 21.9 91.1 51 59 A D E +CD 38 82A 21 31,-2.7 31,-2.8 -2,-0.4 2,-0.3 -0.886 8.4 176.1-123.3 154.7 14.0 23.5 89.3 52 60 A A E -CD 37 81A 28 -15,-1.9 -15,-2.6 -2,-0.3 2,-0.4 -0.988 14.0-161.4-158.1 149.2 16.4 26.2 90.5 53 61 A I E -CD 36 80A 11 27,-2.8 27,-3.3 -2,-0.3 2,-0.5 -0.998 4.0-163.4-137.1 131.4 19.5 28.0 89.4 54 62 A G E -CD 35 79A 21 -19,-2.7 -19,-2.4 -2,-0.4 2,-0.5 -0.967 9.4-168.6-116.7 122.1 22.0 29.9 91.6 55 63 A L E +CD 34 78A 15 23,-3.4 23,-1.8 -2,-0.5 2,-0.4 -0.933 11.9 165.7-115.8 126.1 24.4 32.3 89.9 56 64 A F E +CD 33 77A 89 -23,-2.1 -23,-2.0 -2,-0.5 2,-0.3 -0.971 6.0 178.1-142.8 125.9 27.4 33.9 91.6 57 65 A G E -CD 32 76A 0 19,-2.2 19,-1.4 -2,-0.4 2,-0.4 -0.929 11.3-158.1-126.1 150.8 30.4 35.8 90.1 58 66 A V E -CD 31 75A 49 -27,-2.3 -27,-1.8 -2,-0.3 17,-0.3 -0.973 16.2-134.7-133.0 118.8 33.3 37.5 91.7 59 67 A K E +C 30 0A 75 15,-3.0 -29,-0.2 -2,-0.4 15,-0.1 -0.160 23.8 178.5 -61.3 162.8 35.4 40.2 90.0 60 68 A L 0 0 53 -31,-1.3 -1,-0.1 1,-0.3 14,-0.0 -0.098 360.0 360.0-169.3 64.9 39.2 39.8 90.3 61 69 A N 0 0 159 -33,-0.0 -32,-0.6 0, 0.0 -1,-0.3 -0.472 360.0 360.0 63.0 360.0 41.4 42.4 88.6 62 ! 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 63 76 A N 0 0 120 0, 0.0 2,-1.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 148.0 32.7 47.8 80.0 64 77 A S + 0 0 24 1,-0.2 5,-0.1 2,-0.1 79,-0.1 -0.565 360.0 138.9 -86.2 75.4 30.7 45.3 82.1 65 78 A E S S+ 0 0 31 -2,-1.7 46,-0.4 1,-0.1 -1,-0.2 0.954 82.6 15.9 -81.8 -55.7 31.4 42.2 80.1 66 79 A L S S+ 0 0 1 -3,-0.3 46,-0.2 1,-0.2 -2,-0.1 0.657 137.2 19.9 -91.3 -17.9 31.9 39.7 82.9 67 80 A L S S- 0 0 6 -4,-0.2 -1,-0.2 44,-0.1 76,-0.1 -0.997 83.7 -98.9-152.2 150.6 30.3 41.8 85.7 68 81 A P - 0 0 29 0, 0.0 2,-0.6 0, 0.0 5,-0.2 -0.413 35.4-138.5 -69.6 146.0 28.0 44.7 86.1 69 82 A L 0 0 86 3,-0.3 -5,-0.1 74,-0.1 74,-0.0 -0.904 360.0 360.0-116.3 111.7 29.7 48.1 86.7 70 83 A H 0 0 190 -2,-0.6 -1,-0.1 0, 0.0 0, 0.0 0.373 360.0 360.0 -39.0 360.0 28.2 50.5 89.4 71 ! 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 72 88 A A 0 0 63 0, 0.0 -3,-0.3 0, 0.0 -13,-0.0 0.000 360.0 360.0 360.0 29.2 32.9 47.7 88.3 73 89 A A - 0 0 3 -5,-0.2 -14,-0.2 1,-0.1 3,-0.1 0.506 360.0-134.4 -9.5 131.6 31.1 45.6 91.0 74 90 A D S S- 0 0 126 1,-0.2 -15,-3.0 -16,-0.1 2,-0.3 0.835 81.1 -39.4 -63.8 -33.8 33.1 43.2 93.3 75 91 A N E -D 58 0A 74 -17,-0.3 2,-0.3 -7,-0.1 -17,-0.2 -0.955 53.9-160.2-172.5-174.2 30.5 40.6 92.6 76 92 A Y E +D 57 0A 20 -19,-1.4 -19,-2.2 -2,-0.3 2,-0.2 -0.870 12.3 176.8-179.7 150.4 26.8 39.9 92.1 77 93 A G E -D 56 0A 29 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.845 7.6-167.5-151.3-173.1 24.6 36.9 92.2 78 94 A R E -D 55 0A 66 -23,-1.8 -23,-3.4 -2,-0.2 2,-0.4 -0.880 13.0-141.9 178.7 147.7 21.0 35.6 92.0 79 95 A V E -D 54 0A 112 -2,-0.3 2,-0.4 -25,-0.2 -25,-0.2 -0.985 17.7-170.8-125.8 128.4 18.8 32.6 92.7 80 96 A G E -D 53 0A 2 -27,-3.3 -27,-2.8 -2,-0.4 2,-0.3 -0.922 2.2-168.0-121.7 145.9 16.0 31.5 90.5 81 97 A V E -D 52 0A 79 -2,-0.4 15,-2.3 -29,-0.3 2,-0.3 -0.912 1.2-170.7-127.6 153.4 13.3 28.8 91.0 82 98 A A E -DE 51 95A 0 -31,-2.8 -31,-2.7 -2,-0.3 13,-0.3 -0.944 17.2-136.8-148.5 124.4 10.8 27.2 88.6 83 99 A A E -DE 50 94A 53 11,-2.6 11,-1.9 -2,-0.3 2,-0.4 -0.544 20.9-157.3 -79.6 146.0 7.9 24.9 89.3 84 100 A K E +DE 49 93A 9 -35,-3.5 -35,-4.2 9,-0.2 2,-0.3 -0.977 16.1 171.9-126.5 139.1 7.4 21.9 87.1 85 101 A L E -DE 48 92A 71 7,-1.8 7,-1.0 -2,-0.4 2,-0.3 -0.944 9.6-175.4-148.8 122.7 4.2 19.9 86.4 86 102 A R E +DE 47 91A 74 -39,-2.9 -39,-2.6 -2,-0.3 2,-0.3 -0.763 9.9 175.5-117.5 162.5 3.8 17.2 83.8 87 103 A V E > -DE 46 90A 59 3,-1.7 3,-2.4 -2,-0.3 -41,-0.1 -0.911 64.3 -28.7-165.0 135.4 1.1 15.0 82.4 88 104 A S T 3 S- 0 0 85 -43,-0.5 -2,-0.0 -2,-0.3 37,-0.0 -0.352 126.0 -29.6 54.8-120.2 1.1 12.5 79.5 89 105 A A T 3 S+ 0 0 39 -2,-0.1 35,-2.4 -3,-0.1 2,-0.4 -0.084 116.8 94.8-118.6 34.1 3.7 13.9 77.2 90 106 A S E < -EF 87 123A 23 -3,-2.4 -3,-1.7 33,-0.3 2,-0.3 -0.978 51.6-161.5-129.5 139.5 3.5 17.6 77.9 91 107 A E E -EF 86 122A 59 31,-2.2 31,-2.2 -2,-0.4 2,-0.4 -0.868 3.4-168.1-120.0 151.2 5.5 19.8 80.3 92 108 A L E -EF 85 121A 48 -7,-1.0 -7,-1.8 -2,-0.3 2,-0.4 -0.999 3.6-170.3-138.1 135.6 4.8 23.2 81.8 93 109 A K E -EF 84 120A 42 27,-1.7 27,-1.6 -2,-0.4 2,-0.4 -0.989 2.1-174.3-132.1 124.9 7.3 25.3 83.7 94 110 A I E +EF 83 119A 92 -11,-1.9 -11,-2.6 -2,-0.4 2,-0.4 -0.966 53.3 32.9-117.7 133.2 6.5 28.5 85.6 95 111 A G E S-EF 82 118A 20 23,-2.5 23,-2.3 -2,-0.4 2,-0.5 -0.991 104.0 -14.2 135.3-137.5 9.2 30.6 87.1 96 112 A E E S+ F 0 117A 17 -15,-2.3 21,-0.2 -2,-0.4 2,-0.2 -0.949 71.2 148.8-112.5 123.8 12.8 31.4 86.1 97 113 A M E - F 0 116A 12 19,-1.7 19,-2.0 -2,-0.5 -16,-0.0 -0.694 51.8 -96.9-138.4-170.6 14.3 29.3 83.4 98 114 A L - 0 0 40 -2,-0.2 17,-0.1 17,-0.2 8,-0.0 -0.714 36.8-152.2-119.5 80.1 16.8 29.3 80.4 99 115 A P + 0 0 10 0, 0.0 7,-2.7 0, 0.0 2,-0.1 -0.267 20.4 172.7 -52.0 123.3 14.7 29.7 77.2 100 116 A D E +T 105 0B 81 5,-0.2 5,-0.2 -2,-0.0 -2,-0.0 -0.513 27.0 120.5-137.6 69.1 16.6 28.1 74.3 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