==== 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 16-JUL-11 3SY9 . COMPND 2 MOLECULE: HISTIDINE PORIN OPDC; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.VAN DEN BERG,E.EREN . 1464 19 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 71553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1083 74.0 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 . 812 55.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 25 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 0.1 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 . 104 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 7 0 0 0 4 3 10 16 11 10 10 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 7 A E 0 0 197 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -42.4 9.2 -8.6 -4.8 2 8 A G > - 0 0 9 1,-0.2 4,-3.2 2,-0.1 39,-0.3 -0.207 360.0 -60.7 110.8 159.9 6.8 -5.8 -5.7 3 9 A F T 4 S+ 0 0 77 36,-0.4 36,-3.0 2,-0.2 -1,-0.2 0.873 129.6 27.6 -43.2 -65.1 3.9 -4.9 -8.0 4 10 A I T >4 S+ 0 0 123 1,-0.2 3,-2.5 34,-0.2 -1,-0.2 0.992 122.4 49.7 -63.4 -59.9 5.6 -5.3 -11.3 5 11 A E T 34 S+ 0 0 136 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.775 113.0 46.9 -54.0 -37.0 8.2 -8.0 -10.4 6 12 A G T 3< S+ 0 0 27 -4,-3.2 -1,-0.3 34,-0.1 2,-0.2 0.206 88.2 122.3 -90.7 15.1 5.7 -10.2 -8.7 7 13 A S < - 0 0 22 -3,-2.5 2,-0.3 -5,-0.2 31,-0.2 -0.541 36.3-178.5 -83.7 142.3 3.2 -10.0 -11.5 8 14 A S E -A 37 0A 27 29,-2.4 29,-2.7 -2,-0.2 2,-0.4 -1.000 12.3-164.6-139.5 141.5 1.9 -13.0 -13.4 9 15 A L E -AB 36 374A 50 365,-1.4 365,-1.6 -2,-0.3 2,-0.4 -0.983 10.6-175.4-124.9 123.7 -0.5 -13.5 -16.3 10 16 A Q E -AB 35 373A 56 25,-3.1 25,-3.2 -2,-0.4 2,-0.5 -0.939 10.1-161.0-118.1 141.4 -2.1 -16.9 -17.2 11 17 A L E -AB 34 372A 54 361,-1.8 361,-1.5 -2,-0.4 2,-0.7 -0.975 6.3-164.5-118.6 119.2 -4.3 -17.9 -20.1 12 18 A L E -AB 33 371A 33 21,-2.7 21,-1.9 -2,-0.5 2,-0.4 -0.897 3.5-160.4-107.3 113.0 -6.4 -21.0 -19.9 13 19 A T E -AB 32 370A 32 357,-2.4 357,-2.4 -2,-0.7 2,-0.5 -0.773 11.6-163.1 -89.5 132.6 -7.8 -22.4 -23.2 14 20 A R E -AB 31 369A 55 17,-3.8 17,-1.5 -2,-0.4 2,-0.5 -0.944 15.4-169.7-129.0 114.4 -10.7 -24.8 -22.7 15 21 A N E -AB 30 368A 35 353,-3.3 353,-2.3 -2,-0.5 2,-0.4 -0.891 17.7-173.3 -97.7 128.6 -12.3 -27.2 -25.2 16 22 A Y E -AB 29 367A 19 13,-2.4 13,-2.2 -2,-0.5 2,-0.4 -0.967 10.4-179.5-133.5 119.5 -15.5 -28.7 -23.9 17 23 A Y E -AB 28 366A 68 349,-3.3 349,-2.8 -2,-0.4 2,-0.5 -0.971 3.3-176.9-124.7 130.4 -17.7 -31.5 -25.4 18 24 A F E -AB 27 365A 38 9,-2.6 9,-1.5 -2,-0.4 2,-0.4 -0.958 2.3-174.1-134.7 114.8 -20.9 -32.7 -23.9 19 25 A N E -AB 26 364A 50 345,-4.6 345,-3.1 -2,-0.5 2,-0.5 -0.926 5.1-169.7-115.9 134.6 -23.1 -35.6 -25.2 20 26 A H E - B 0 363A 35 5,-0.7 2,-0.4 -2,-0.4 343,-0.2 -0.960 10.2-172.3-131.1 120.1 -26.5 -36.6 -23.8 21 27 A D E - B 0 362A 85 341,-2.2 341,-1.5 -2,-0.5 2,-0.5 -0.895 13.3-158.8-101.6 136.8 -28.7 -39.6 -24.4 22 28 A R E B 0 361A 102 -2,-0.4 339,-0.2 339,-0.2 -2,-0.0 -0.967 360.0 360.0-121.3 124.5 -32.2 -39.6 -23.0 23 29 A R 0 0 203 337,-1.7 337,-0.1 -2,-0.5 338,-0.1 -0.356 360.0 360.0 -96.4 360.0 -34.3 -42.8 -22.4 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 36 A S 0 0 118 0, 0.0 -5,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 111.4 -28.5 -33.1 -27.6 26 37 A K E -A 19 0A 82 -7,-0.2 2,-0.3 -9,-0.0 -7,-0.2 -0.633 360.0-163.6 -95.5 167.6 -24.7 -32.7 -28.0 27 38 A E E -A 18 0A 39 -9,-1.5 -9,-2.6 -2,-0.2 2,-0.4 -0.991 9.1-168.9-154.3 142.0 -22.8 -29.5 -27.4 28 39 A W E +A 17 0A 101 -2,-0.3 31,-3.3 -11,-0.2 2,-0.3 -0.993 16.0 173.3-135.1 130.0 -19.3 -28.1 -28.3 29 40 A A E -AC 16 58A 15 -13,-2.2 -13,-2.4 -2,-0.4 2,-0.3 -0.989 24.2-148.9-149.7 142.0 -17.7 -25.0 -26.8 30 41 A Q E -AC 15 57A 53 27,-2.2 27,-1.8 -2,-0.3 2,-0.3 -0.759 23.4-178.2 -94.8 145.9 -14.5 -23.0 -26.7 31 42 A G E -AC 14 56A 0 -17,-1.5 -17,-3.8 -2,-0.3 2,-0.4 -0.995 12.5-168.5-150.0 150.0 -13.5 -21.1 -23.6 32 43 A F E -AC 13 55A 75 23,-2.8 23,-2.4 -2,-0.3 2,-0.4 -0.995 0.5-172.5-138.2 132.3 -10.7 -18.8 -22.6 33 44 A I E -AC 12 54A 23 -21,-1.9 -21,-2.7 -2,-0.4 2,-0.4 -0.923 5.3-167.4-133.1 111.3 -9.9 -17.5 -19.2 34 45 A A E -AC 11 53A 35 19,-2.7 19,-1.8 -2,-0.4 2,-0.4 -0.805 7.8-171.3 -99.8 134.3 -7.2 -14.9 -18.7 35 46 A T E -AC 10 52A 38 -25,-3.2 -25,-3.1 -2,-0.4 2,-0.4 -0.978 5.6-173.8-134.0 120.8 -5.9 -14.2 -15.2 36 47 A F E -AC 9 51A 52 15,-3.3 15,-2.2 -2,-0.4 2,-0.4 -0.922 1.3-175.2-112.7 138.3 -3.6 -11.5 -14.0 37 48 A Q E -AC 8 50A 62 -29,-2.7 -29,-2.4 -2,-0.4 13,-0.2 -0.983 14.7-145.1-131.1 126.6 -2.1 -11.0 -10.6 38 49 A S - 0 0 5 11,-2.9 -34,-0.2 -2,-0.4 -35,-0.1 -0.317 18.4-119.3 -72.8 161.0 0.0 -8.0 -9.5 39 50 A G - 0 0 7 -36,-3.0 2,-0.4 -37,-0.1 10,-0.4 -0.104 42.3 -94.8 -73.4-165.8 2.9 -8.2 -7.1 40 51 A Y - 0 0 16 8,-0.1 8,-0.2 -2,-0.1 -37,-0.2 -0.952 26.9-112.9-118.1 137.3 2.6 -6.1 -4.0 41 52 A T - 0 0 49 6,-2.3 -39,-0.1 -2,-0.4 6,-0.1 -0.398 50.9-101.1 -56.6 141.4 3.9 -2.6 -3.2 42 53 A P S S+ 0 0 118 0, 0.0 3,-0.2 0, 0.0 2,-0.1 -0.144 75.2 61.4 -69.8 164.3 6.6 -2.9 -0.6 43 54 A G S S- 0 0 66 1,-0.2 3,-0.2 -3,-0.1 -3,-0.0 -0.424 98.7 -56.1 109.0 169.8 6.2 -2.2 3.1 44 55 A V S S+ 0 0 105 1,-0.2 2,-0.6 -2,-0.1 39,-0.5 0.865 131.1 39.2 -53.4 -42.3 4.2 -3.4 6.1 45 56 A V E S- D 0 82A 68 -3,-0.2 -1,-0.2 37,-0.1 37,-0.2 -0.918 84.0-167.7-116.2 107.9 1.0 -2.8 4.2 46 57 A G E - D 0 81A 1 35,-2.8 35,-1.6 -2,-0.6 2,-0.4 -0.478 7.0-148.9 -98.5 164.6 1.2 -3.7 0.5 47 58 A F E + D 0 80A 95 33,-0.2 -6,-2.3 -2,-0.1 2,-0.3 -0.979 23.5 149.9-135.1 141.0 -1.1 -3.0 -2.4 48 59 A G E - D 0 79A 1 31,-2.5 31,-2.1 -2,-0.4 2,-0.4 -0.917 30.4-120.6-153.4-177.7 -1.9 -4.9 -5.6 49 60 A V E - D 0 78A 51 -10,-0.4 -11,-2.9 -2,-0.3 2,-0.4 -0.997 10.8-169.3-137.9 139.3 -4.4 -5.8 -8.3 50 61 A D E +CD 37 77A 28 27,-2.4 27,-2.9 -2,-0.4 2,-0.3 -0.965 17.9 169.9-118.5 141.2 -6.0 -9.0 -9.6 51 62 A A E -CD 36 76A 33 -15,-2.2 -15,-3.3 -2,-0.4 2,-0.3 -0.997 8.4-179.6-151.7 148.4 -8.0 -9.1 -12.8 52 63 A Y E -CD 35 75A 20 23,-2.3 23,-2.2 -2,-0.3 2,-0.3 -0.975 10.6-161.8-141.4 158.8 -9.6 -11.6 -15.1 53 64 A G E -CD 34 74A 29 -19,-1.8 -19,-2.7 -2,-0.3 2,-0.4 -0.994 10.8-162.8-144.6 149.3 -11.5 -11.9 -18.3 54 65 A M E +CD 33 73A 5 19,-3.5 19,-1.8 -2,-0.3 2,-0.4 -0.979 9.4 175.1-137.8 126.9 -13.6 -14.8 -19.6 55 66 A L E +CD 32 72A 85 -23,-2.4 -23,-2.8 -2,-0.4 2,-0.3 -0.989 0.8 172.9-132.6 143.7 -14.9 -15.6 -23.0 56 67 A G E -CD 31 71A 6 15,-2.2 15,-2.2 -2,-0.4 2,-0.4 -0.977 8.2-168.4-151.1 149.6 -16.8 -18.6 -24.4 57 68 A L E -CD 30 70A 38 -27,-1.8 -27,-2.2 -2,-0.3 2,-0.2 -0.990 21.5-128.9-139.4 124.1 -18.4 -19.5 -27.7 58 69 A K E C 29 0A 53 11,-1.7 -29,-0.3 -2,-0.4 -2,-0.0 -0.527 360.0 360.0 -72.2 134.9 -20.7 -22.4 -28.7 59 70 A L 0 0 120 -31,-3.3 -1,-0.1 -2,-0.2 -30,-0.1 0.771 360.0 360.0-109.2 360.0 -19.6 -24.3 -31.8 60 ! 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 61 81 A Y 0 0 106 0, 0.0 75,-0.2 0, 0.0 76,-0.1 0.000 360.0 360.0 360.0 -50.4 -27.3 -14.6 -17.5 62 82 A E - 0 0 68 73,-0.4 75,-0.2 9,-0.0 74,-0.1 0.910 360.0-151.7 46.7 75.2 -26.8 -18.3 -18.4 63 83 A S - 0 0 8 73,-1.4 2,-0.9 1,-0.1 46,-0.0 -0.042 49.3 -46.7 -65.5 179.8 -23.0 -18.9 -19.0 64 84 A G S S+ 0 0 34 2,-0.1 42,-0.3 41,-0.0 43,-0.1 -0.629 104.7 56.6-106.2 100.5 -22.4 -21.7 -21.4 65 85 A K 0 0 40 -2,-0.9 -2,-0.1 72,-0.2 -38,-0.0 -0.232 360.0 360.0-154.5 127.4 -23.7 -25.0 -21.8 66 86 A A 0 0 148 2,-0.1 72,-0.1 -2,-0.1 -2,-0.1 -0.047 360.0 360.0 -51.3 360.0 -27.5 -24.8 -22.2 67 ! 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 68 98 A P 0 0 166 0, 0.0 -10,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 21.6 -26.7 -18.3 -25.9 69 99 A D + 0 0 126 1,-0.2 -11,-1.7 -12,-0.1 2,-0.3 0.826 360.0 12.0 -83.2 -34.6 -24.1 -18.1 -28.7 70 100 A E E -D 57 0A 76 -13,-0.2 2,-0.3 2,-0.0 -13,-0.2 -0.951 63.5-168.0-135.2 158.0 -21.4 -16.2 -26.9 71 101 A F E +D 56 0A 36 -15,-2.2 -15,-2.2 -2,-0.3 2,-0.3 -0.996 10.8 167.5-143.0 149.7 -20.6 -15.2 -23.3 72 102 A S E +D 55 0A 85 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.995 6.0 158.7-155.9 163.9 -18.2 -12.9 -21.7 73 103 A S E -D 54 0A 38 -19,-1.8 -19,-3.5 -2,-0.3 2,-0.3 -0.946 7.2-177.5-175.8 159.9 -17.2 -11.2 -18.5 74 104 A G E +D 53 0A 45 -2,-0.3 2,-0.3 -21,-0.3 -21,-0.2 -0.975 9.0 159.8-160.6 160.3 -14.3 -9.5 -16.7 75 105 A G E -D 52 0A 19 -23,-2.2 -23,-2.3 -2,-0.3 2,-0.3 -0.972 18.1-145.1-170.0-179.8 -13.5 -7.9 -13.4 76 106 A A E -D 51 0A 49 -2,-0.3 15,-1.9 -25,-0.2 2,-0.4 -0.980 5.4-151.7-155.8 159.6 -10.8 -6.9 -11.0 77 107 A A E -DE 50 90A 5 -27,-2.9 -27,-2.4 -2,-0.3 2,-0.5 -0.998 18.0-127.4-141.2 143.0 -10.2 -6.6 -7.3 78 108 A L E -DE 49 89A 72 11,-2.7 11,-2.5 -2,-0.4 2,-0.4 -0.745 28.9-158.1 -82.4 128.3 -8.0 -4.4 -5.1 79 109 A K E -DE 48 88A 12 -31,-2.1 -31,-2.5 -2,-0.5 2,-0.5 -0.949 11.1-171.7-116.2 137.1 -5.8 -6.4 -2.8 80 110 A I E -DE 47 87A 43 7,-1.9 7,-1.7 -2,-0.4 2,-0.6 -0.988 8.3-165.2-125.3 122.1 -4.3 -5.2 0.4 81 111 A R E +DE 46 86A 114 -35,-1.6 -35,-2.8 -2,-0.5 2,-0.4 -0.921 18.7 152.4-121.2 116.8 -1.8 -7.4 2.2 82 112 A A E > -DE 45 85A 19 3,-1.7 3,-1.5 -2,-0.6 -37,-0.1 -0.998 67.5 -9.0-137.4 141.2 -0.6 -7.0 5.8 83 113 A F T 3 S- 0 0 131 -39,-0.5 37,-0.2 -2,-0.4 -1,-0.1 0.858 126.8 -49.5 40.9 62.1 0.7 -9.5 8.3 84 114 A D T 3 S+ 0 0 102 1,-0.2 35,-3.6 35,-0.1 2,-0.4 0.742 115.7 117.3 56.5 24.0 -0.1 -12.7 6.4 85 115 A T E < -EF 82 118A 30 -3,-1.5 -3,-1.7 33,-0.2 2,-0.4 -0.982 46.2-166.2-123.4 137.2 -3.6 -11.4 5.8 86 116 A E E -EF 81 117A 54 31,-1.8 31,-2.3 -2,-0.4 2,-0.5 -0.987 3.5-164.2-131.1 133.0 -4.9 -10.6 2.4 87 117 A L E -EF 80 116A 47 -7,-1.7 -7,-1.9 -2,-0.4 2,-0.5 -0.970 2.4-166.0-122.8 122.6 -8.0 -8.6 1.6 88 118 A K E -EF 79 115A 53 27,-2.3 27,-2.2 -2,-0.5 2,-0.5 -0.959 4.6-175.6-113.2 126.2 -9.6 -8.8 -1.9 89 119 A L E +EF 78 114A 66 -11,-2.5 -11,-2.7 -2,-0.5 2,-0.3 -0.965 54.2 26.4-125.3 112.2 -12.2 -6.1 -2.8 90 120 A G E S-EF 77 113A 19 23,-2.2 23,-1.8 -2,-0.5 2,-0.4 -0.974 106.5 -10.1 141.9-161.7 -13.8 -6.6 -6.2 91 121 A D E S+ F 0 112A 25 -15,-1.9 2,-0.3 -2,-0.3 21,-0.2 -0.679 73.5 154.4 -77.1 131.9 -14.6 -9.4 -8.5 92 122 A Q E - F 0 111A 8 19,-2.2 19,-2.6 -2,-0.4 2,-0.2 -0.976 42.6-105.3-155.6 158.2 -12.9 -12.6 -7.5 93 123 A F - 0 0 68 -2,-0.3 2,-0.4 17,-0.2 17,-0.1 -0.572 35.0-162.1 -83.4 154.2 -13.1 -16.4 -7.7 94 124 A L + 0 0 25 15,-0.4 7,-1.8 -2,-0.2 8,-0.4 -0.994 19.3 171.5-142.3 132.5 -14.2 -18.5 -4.7 95 125 A S E +T 100 0B 74 -2,-0.4 5,-0.3 5,-0.2 -2,-0.0 -0.817 29.0 121.6-136.8 111.6 -13.9 -22.0 -3.5 96 126 A N E > S-T 99 0B 10 3,-2.9 3,-0.9 -2,-0.3 154,-0.1 -0.959 71.9 -88.9-151.1 173.8 -14.9 -23.1 -0.0 97 127 A P T 3 S+ 0 0 13 0, 0.0 3,-0.1 0, 0.0 153,-0.1 0.800 126.5 33.6 -56.9 -34.3 -17.3 -25.5 1.6 98 128 A V T 3 S+ 0 0 4 1,-0.2 2,-0.3 65,-0.1 145,-0.2 0.513 126.4 32.5 -99.8 -6.4 -20.2 -23.0 1.7 99 129 A V E < +T 96 0B 2 -3,-0.9 -3,-2.9 143,-0.1 2,-0.3 -0.927 61.3 146.8-149.0 132.3 -19.4 -21.1 -1.5 100 130 A A E -T 95 0B 18 -2,-0.3 -5,-0.2 -5,-0.3 10,-0.1 -0.980 48.9-132.2-156.4 151.7 -17.9 -21.8 -4.9 101 131 A G - 0 0 8 -7,-1.8 8,-0.9 -2,-0.3 -6,-0.1 0.651 68.1-121.6 -64.8 -20.7 -18.0 -20.9 -8.6 102 132 A G - 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