==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 17-MAY-12 4F8H . COMPND 2 MOLECULE: PROTON-GATED ION CHANNEL; . SOURCE 2 ORGANISM_SCIENTIFIC: GLOEOBACTER VIOLACEUS; . AUTHOR J.J.PAN,Q.CHEN,D.WILLENBRING,X.P.KONG,A.COHEN,Y.XU,P.TANG . 1555 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1254 80.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 380 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 . 186 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 178 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 450 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.0 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 10 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 5 0 5 RESIDUES PER ALPHA HELIX . 0 5 0 0 5 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 . 10 5 5 0 0 0 0 0 5 5 5 5 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 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 5 A V 0 0 125 0, 0.0 66,-0.1 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 60.6 28.0 -9.8 -7.7 2 6 A S - 0 0 67 3,-0.0 66,-0.2 0, 0.0 0, 0.0 -0.889 360.0 -83.9-159.2 147.9 29.4 -6.3 -8.1 3 7 A P - 0 0 20 0, 0.0 42,-0.0 0, 0.0 66,-0.0 -0.109 47.7 -99.9 -62.2 144.1 28.8 -3.3 -5.8 4 8 A P - 0 0 3 0, 0.0 8,-0.1 0, 0.0 40,-0.1 -0.428 46.1-126.7 -60.5 123.0 25.6 -1.3 -6.1 5 9 A P - 0 0 81 0, 0.0 2,-0.4 0, 0.0 41,-0.2 -0.412 24.4-100.3 -79.5 154.1 26.6 1.8 -8.1 6 10 A P - 0 0 33 0, 0.0 2,-2.7 0, 0.0 6,-0.0 -0.588 9.3-141.5 -79.7 124.1 26.0 5.4 -6.9 7 11 A I S S- 0 0 118 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.420 100.7 -12.1 -73.5 62.8 23.1 7.4 -8.2 8 12 A A S S- 0 0 76 -2,-2.7 0, 0.0 2,-0.1 0, 0.0 -0.917 113.9 -64.5 143.3-117.3 25.6 10.3 -7.9 9 13 A D S S+ 0 0 142 -2,-0.3 126,-0.1 -4,-0.1 -1,-0.0 0.061 77.8 140.9-160.8 29.1 28.9 9.7 -6.0 10 14 A E - 0 0 69 1,-0.1 2,-0.2 124,-0.0 125,-0.2 -0.400 56.4-108.2 -71.8 150.5 27.8 9.1 -2.4 11 15 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 125,-0.2 -0.616 36.2-109.9 -76.9 147.7 29.6 6.5 -0.4 12 16 A L E -a 136 0A 9 123,-2.4 125,-2.8 -2,-0.2 2,-0.6 -0.671 30.8-145.3 -79.1 123.8 27.6 3.3 0.3 13 17 A T E -a 137 0A 59 -2,-0.5 2,-0.5 123,-0.2 31,-0.4 -0.805 10.0-163.3 -96.8 121.8 26.6 3.0 4.0 14 18 A V E -a 138 0A 0 123,-3.2 125,-2.1 -2,-0.6 2,-0.6 -0.919 12.7-143.9-101.6 126.0 26.4 -0.4 5.6 15 19 A N E -aB 139 42A 54 27,-3.2 27,-1.1 -2,-0.5 2,-0.3 -0.768 20.9-164.8 -92.2 121.8 24.5 -0.5 8.9 16 20 A T E +aB 140 41A 0 123,-3.6 125,-2.7 -2,-0.6 2,-0.3 -0.696 14.5 175.1-109.1 158.0 26.0 -2.9 11.4 17 21 A G E - B 0 40A 0 23,-1.1 23,-2.6 -2,-0.3 2,-0.4 -0.928 11.0-161.4-158.1 133.5 24.7 -4.5 14.6 18 22 A I E - B 0 39A 0 -2,-0.3 128,-2.0 21,-0.2 2,-0.4 -0.966 4.3-174.0-117.9 134.7 26.2 -7.1 17.0 19 23 A Y E -cB 146 38A 40 19,-2.0 19,-2.5 -2,-0.4 128,-0.3 -0.907 21.1-139.9-129.2 103.7 24.1 -9.1 19.5 20 24 A L E +cB 147 37A 0 126,-2.2 128,-1.8 -2,-0.4 17,-0.2 -0.390 26.0 172.4 -66.4 134.2 26.2 -11.2 21.8 21 25 A I E S+ 0 0 11 15,-2.8 2,-0.3 1,-0.4 16,-0.2 0.660 71.8 11.3-106.8 -36.3 24.8 -14.7 22.5 22 26 A E E - B 0 36A 14 14,-2.2 14,-1.9 129,-0.1 2,-0.4 -0.980 52.1-175.9-143.8 133.6 27.8 -16.0 24.4 23 27 A C E + B 0 35A 2 -2,-0.3 2,-0.3 12,-0.2 129,-0.3 -0.961 30.2 143.7-114.5 148.0 31.0 -14.6 25.9 24 28 A Y E + B 0 34A 12 10,-1.6 10,-2.7 -2,-0.4 129,-0.1 -0.970 36.3 45.3-171.9 159.4 33.4 -17.2 27.4 25 29 A S E - 0 0 55 -2,-0.3 2,-1.2 1,-0.2 -1,-0.1 0.956 50.3-175.9 61.6 56.5 37.0 -18.1 27.8 26 30 A L E - 0 0 23 128,-0.2 2,-0.8 7,-0.2 7,-0.2 -0.759 12.2-165.4 -79.2 100.8 38.5 -14.8 28.9 27 31 A D E >> - B 0 32A 71 5,-2.6 4,-2.2 -2,-1.2 5,-1.2 -0.800 11.2-165.2 -96.7 105.7 42.1 -16.0 29.0 28 32 A D T 45S+ 0 0 25 -2,-0.8 82,-0.2 1,-0.2 -1,-0.2 0.907 86.0 51.5 -62.3 -44.8 44.3 -13.5 30.9 29 33 A K T 45S+ 0 0 107 1,-0.2 -1,-0.2 213,-0.1 215,-0.2 0.898 121.3 33.5 -57.3 -43.3 47.7 -14.8 29.8 30 34 A A T 45S- 0 0 32 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.665 100.1-135.5 -87.2 -19.3 46.7 -14.8 26.1 31 35 A E T <5 + 0 0 13 -4,-2.2 77,-0.4 1,-0.2 2,-0.3 0.937 61.2 124.5 60.9 49.2 44.5 -11.7 26.4 32 36 A T E < -B 27 0A 4 -5,-1.2 -5,-2.6 75,-0.2 2,-0.3 -0.953 40.2-169.7-132.0 153.3 41.7 -13.3 24.3 33 37 A F E - D 0 106A 1 73,-1.5 73,-2.4 -2,-0.3 2,-0.4 -0.941 21.4-126.4-134.0 164.0 38.1 -14.0 24.7 34 38 A K E -BD 24 105A 60 -10,-2.7 -10,-1.6 -2,-0.3 2,-0.3 -0.913 24.5-164.3-111.5 137.1 35.7 -16.1 22.6 35 39 A V E -BD 23 104A 0 69,-3.0 69,-1.4 -2,-0.4 2,-0.3 -0.868 15.2-169.6-121.2 152.3 32.5 -14.6 21.3 36 40 A N E +BD 22 103A 5 -14,-1.9 -15,-2.8 -2,-0.3 -14,-2.2 -0.887 36.5 140.4-141.7 108.3 29.3 -16.1 19.8 37 41 A A E -BD 20 102A 0 65,-2.0 65,-2.9 -2,-0.3 2,-0.5 -0.880 53.1 -98.3-147.0 164.6 27.0 -13.5 18.3 38 42 A F E -BD 19 101A 1 -19,-2.5 -19,-2.0 -2,-0.3 2,-0.5 -0.837 30.0-160.7 -86.6 128.6 24.6 -12.2 15.7 39 43 A L E -BD 18 100A 0 61,-2.8 61,-2.4 -2,-0.5 2,-0.4 -0.962 10.6-166.9-104.0 129.4 26.1 -10.0 13.0 40 44 A S E -BD 17 99A 4 -23,-2.6 -23,-1.1 -2,-0.5 2,-0.4 -0.967 5.9-175.5-120.4 130.4 23.5 -7.9 11.3 41 45 A L E +BD 16 98A 3 57,-1.8 57,-3.6 -2,-0.4 2,-0.3 -0.954 3.9 178.1-124.2 145.1 24.1 -5.9 8.1 42 46 A S E +BD 15 97A 17 -27,-1.1 -27,-3.2 -2,-0.4 2,-0.3 -0.960 12.2 145.2-148.3 130.0 21.9 -3.5 6.1 43 47 A W E - D 0 96A 3 53,-0.9 53,-3.2 -2,-0.3 2,-0.6 -0.959 45.0-101.7-152.4 165.1 22.5 -1.4 2.9 44 48 A K E + D 0 95A 82 -31,-0.4 2,-0.5 -2,-0.3 51,-0.2 -0.858 29.7 174.0-100.4 120.9 20.6 -0.2 -0.1 45 49 A D > - 0 0 3 49,-3.5 3,-2.4 -2,-0.6 4,-0.2 -0.858 11.5-168.3-120.4 90.8 21.1 -2.0 -3.4 46 50 A R G > S+ 0 0 115 -2,-0.5 3,-2.3 1,-0.3 -1,-0.1 0.790 79.7 71.8 -54.3 -37.4 18.5 -0.3 -5.8 47 51 A R G 3 S+ 0 0 115 1,-0.3 -1,-0.3 47,-0.1 47,-0.1 0.666 95.6 56.5 -45.8 -20.5 19.0 -3.0 -8.5 48 52 A L G < S+ 0 0 23 -3,-2.4 46,-0.3 46,-0.2 -1,-0.3 0.533 81.0 118.5 -97.5 -7.0 17.1 -5.3 -6.1 49 53 A A < + 0 0 48 -3,-2.3 2,-0.3 44,-0.3 44,-0.2 -0.093 37.3 169.0 -60.8 159.2 14.0 -3.2 -5.8 50 54 A F - 0 0 28 42,-2.2 44,-0.1 41,-0.0 -1,-0.1 -0.936 36.6 -86.0-161.9 174.0 10.6 -4.6 -6.9 51 55 A D > - 0 0 46 -2,-0.3 4,-2.0 1,-0.1 6,-0.4 -0.871 18.9-160.6-101.7 122.9 6.8 -4.1 -6.8 52 56 A P H > S+ 0 0 59 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.860 94.8 49.4 -61.4 -40.3 4.8 -5.5 -3.9 53 57 A V H 4 S+ 0 0 122 2,-0.2 5,-0.0 3,-0.1 -2,-0.0 0.982 120.7 30.5 -67.1 -62.4 1.6 -5.4 -6.0 54 58 A R H 4 S+ 0 0 190 1,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.956 126.0 43.1 -61.0 -55.2 2.9 -7.1 -9.1 55 59 A S H < S- 0 0 52 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.754 97.7-145.8 -69.6 -24.4 5.4 -9.4 -7.4 56 60 A G < + 0 0 52 -4,-1.0 2,-0.4 -5,-0.4 -3,-0.1 0.351 61.9 102.8 82.0 -6.6 2.8 -10.1 -4.7 57 61 A V - 0 0 57 -6,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.882 63.0-148.1-111.6 143.1 5.3 -10.4 -1.9 58 62 A R S S+ 0 0 206 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.647 89.7 10.5 -78.9 -15.3 6.0 -7.7 0.8 59 63 A V S S- 0 0 28 32,-0.2 2,-0.3 -7,-0.1 -1,-0.3 -0.950 72.6-139.8-165.7 139.8 9.6 -8.9 0.9 60 64 A K E -E 90 0A 61 30,-2.6 30,-3.3 -2,-0.3 2,-0.3 -0.818 11.9-135.4-113.3 148.8 11.9 -11.3 -1.1 61 65 A T E -E 89 0A 102 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.738 19.6-176.1 -99.7 145.3 14.5 -13.8 -0.1 62 66 A Y - 0 0 55 26,-1.3 26,-0.2 -2,-0.3 -2,-0.0 -0.993 25.0-124.7-136.7 149.3 18.0 -14.4 -1.6 63 67 A E >> - 0 0 108 -2,-0.3 3,-1.2 1,-0.1 4,-1.0 -0.645 38.2-109.0 -82.8 148.9 20.8 -16.8 -1.1 64 68 A P T 34 S+ 0 0 33 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.770 118.3 53.2 -52.3 -31.8 24.2 -15.2 -0.3 65 69 A E T 34 S+ 0 0 136 1,-0.2 4,-0.0 3,-0.1 -3,-0.0 0.830 99.0 65.0 -74.1 -32.5 25.6 -16.1 -3.8 66 70 A A T <4 S+ 0 0 61 -3,-1.2 2,-0.2 2,-0.0 -1,-0.2 0.884 107.4 34.1 -56.2 -44.7 22.7 -14.5 -5.6 67 71 A I S < S- 0 0 7 -4,-1.0 2,-0.4 -3,-0.1 -5,-0.0 -0.664 88.8 -95.5-116.1 167.4 23.4 -10.9 -4.5 68 72 A W - 0 0 30 -2,-0.2 -3,-0.1 -66,-0.2 -2,-0.0 -0.703 40.1-173.6 -78.8 130.1 26.3 -8.7 -3.7 69 73 A I - 0 0 35 -2,-0.4 2,-0.2 -5,-0.1 0, 0.0 -0.980 29.8-107.2-127.0 135.7 27.2 -8.6 -0.0 70 74 A P - 0 0 7 0, 0.0 2,-2.0 0, 0.0 -27,-0.0 -0.449 29.3-119.9 -68.7 130.9 29.8 -6.3 1.5 71 75 A E + 0 0 110 -2,-0.2 58,-0.7 58,-0.2 2,-0.4 -0.484 41.8 178.8 -71.0 80.1 33.0 -8.0 2.6 72 76 A I E -H 128 0B 8 -2,-2.0 2,-0.3 56,-0.2 56,-0.2 -0.687 3.4-179.5 -81.6 133.2 32.8 -7.1 6.3 73 77 A R E -H 127 0B 23 54,-2.9 54,-3.3 -2,-0.4 2,-0.4 -0.951 29.0-116.1-135.8 152.6 35.7 -8.4 8.4 74 78 A F E -H 126 0B 5 -2,-0.3 3,-0.4 52,-0.2 52,-0.2 -0.742 18.6-156.7 -85.8 137.5 36.8 -8.4 12.0 75 79 A V S S+ 0 0 18 50,-2.9 2,-0.9 -2,-0.4 -1,-0.1 0.950 82.4 42.8 -77.8 -51.4 40.1 -6.6 12.7 76 80 A N S S+ 0 0 7 49,-0.3 31,-2.4 47,-0.0 2,-0.3 -0.504 84.0 115.9-102.9 66.6 41.3 -8.2 15.9 77 81 A V B -F 106 0A 3 -2,-0.9 29,-0.2 -3,-0.4 3,-0.1 -0.907 63.7-130.0-126.9 158.8 40.6 -11.9 15.6 78 82 A E S S+ 0 0 10 27,-2.2 2,-0.3 -2,-0.3 -1,-0.1 0.962 91.3 2.0 -68.1 -58.4 42.8 -14.9 15.6 79 83 A N S S- 0 0 79 26,-0.2 26,-0.3 -3,-0.1 -1,-0.2 -0.913 99.1 -72.9-126.1 159.5 41.3 -16.5 12.5 80 84 A A - 0 0 73 -2,-0.3 3,-0.0 -3,-0.1 -7,-0.0 -0.282 68.4-104.2 -44.8 124.3 38.6 -15.5 10.1 81 85 A R - 0 0 49 1,-0.1 2,-0.7 -7,-0.1 23,-0.2 -0.147 26.3-112.4 -52.8 148.6 35.4 -16.0 12.1 82 86 A D E - G 0 103A 102 21,-2.0 21,-1.7 -3,-0.1 2,-0.3 -0.803 44.2-172.9 -81.1 117.2 33.2 -19.0 11.5 83 87 A A E - G 0 102A 52 -2,-0.7 2,-0.4 19,-0.2 19,-0.2 -0.873 20.1-169.6-117.4 150.6 30.0 -17.6 10.0 84 88 A D E - G 0 101A 82 17,-1.3 17,-2.4 -2,-0.3 2,-0.3 -0.971 27.0-129.0-136.9 113.0 26.7 -19.2 9.2 85 89 A V E + G 0 100A 47 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.523 26.7 178.8 -73.1 127.9 24.2 -17.1 7.2 86 90 A V E - 0 0 9 13,-2.7 2,-0.3 -2,-0.3 14,-0.2 0.780 59.0 -10.1 -97.3 -31.7 20.8 -17.1 8.9 87 91 A D E - G 0 99A 25 12,-1.4 12,-1.2 356,-0.0 2,-0.4 -0.894 40.1-165.5-173.3 131.9 18.7 -14.8 6.6 88 92 A I E + G 0 98A 5 -2,-0.3 -26,-1.3 -26,-0.2 2,-0.5 -0.973 21.3 178.4-124.0 119.3 18.8 -12.4 3.7 89 93 A S E -EG 61 97A 6 8,-1.9 8,-1.3 -2,-0.4 2,-0.4 -0.954 10.6-161.6-127.7 113.1 15.6 -10.3 3.3 90 94 A V E -EG 60 96A 0 -30,-3.3 -30,-2.6 -2,-0.5 6,-0.2 -0.806 7.9-150.7 -98.7 133.3 15.2 -7.7 0.6 91 95 A S E >> - G 0 95A 29 4,-2.3 3,-3.1 -2,-0.4 4,-0.9 -0.700 34.7 -96.7-101.3 155.3 12.5 -5.1 0.8 92 96 A P T 34 S+ 0 0 37 0, 0.0 -42,-2.2 0, 0.0 -33,-0.1 0.669 120.5 56.3 -44.1 -36.1 10.8 -3.4 -2.2 93 97 A D T 34 S- 0 0 87 -44,-0.2 -44,-0.3 2,-0.1 -45,-0.1 0.421 125.2 -96.9 -81.1 3.0 13.0 -0.3 -2.2 94 98 A G T <4 S+ 0 0 0 -3,-3.1 -49,-3.5 -46,-0.3 2,-0.6 0.734 72.1 152.5 88.0 26.0 16.1 -2.5 -2.5 95 99 A T E < -DG 44 91A 35 -4,-0.9 -4,-2.3 -51,-0.2 2,-0.4 -0.789 31.8-149.8 -89.3 123.7 17.0 -2.5 1.2 96 100 A V E -DG 43 90A 0 -53,-3.2 -53,-0.9 -2,-0.6 2,-0.5 -0.785 10.2-163.8 -97.1 137.0 18.9 -5.6 2.2 97 101 A Q E -DG 42 89A 56 -8,-1.3 -8,-1.9 -2,-0.4 2,-0.3 -0.926 14.8-173.5-117.5 103.1 18.8 -7.1 5.7 98 102 A Y E +DG 41 88A 23 -57,-3.6 -57,-1.8 -2,-0.5 2,-0.3 -0.698 4.9 179.6 -93.7 143.9 21.7 -9.5 6.2 99 103 A L E +DG 40 87A 6 -12,-1.2 -13,-2.7 -2,-0.3 -12,-1.4 -0.816 4.9 167.8-150.6 111.6 22.0 -11.7 9.3 100 104 A E E -DG 39 85A 5 -61,-2.4 -61,-2.8 -2,-0.3 2,-0.5 -0.821 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