==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 14-JAN-13 4IRE . COMPND 2 MOLECULE: PROTON-GATED ION CHANNEL; . SOURCE 2 ORGANISM_SCIENTIFIC: GLOEOBACTER VIOLACEUS; . AUTHOR Q.CHEN,J.PAN,Y.H.LIANG,Y.XU,P.TANG . 1561 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1246 79.8 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 . 370 23.7 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 . 193 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 451 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.3 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 10 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 2 3 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 . 4 5 5 0 0 0 0 2 3 5 5 1 9 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 1 4 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 4 A M 0 0 139 0, 0.0 47,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-116.5 24.8 -9.7 -8.8 2 5 A V + 0 0 100 67,-0.1 66,-0.1 2,-0.1 68,-0.0 0.364 360.0 73.6 -93.9 3.5 28.5 -10.0 -8.1 3 6 A S S S- 0 0 49 66,-0.0 66,-0.2 131,-0.0 0, 0.0 -0.859 89.6-105.5-117.7 150.8 28.5 -6.2 -8.2 4 7 A P - 0 0 15 0, 0.0 -2,-0.1 0, 0.0 42,-0.0 -0.437 47.0 -83.5 -76.0 146.7 27.3 -3.7 -5.6 5 8 A P - 0 0 2 0, 0.0 40,-0.1 0, 0.0 41,-0.0 -0.268 45.7-121.2 -54.6 128.2 24.1 -1.6 -6.0 6 9 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 41,-0.2 -0.499 24.1-125.6 -71.2 133.1 24.6 1.6 -8.1 7 10 A P - 0 0 44 0, 0.0 2,-0.9 0, 0.0 6,-0.0 -0.647 11.8-159.5 -70.4 127.6 23.7 4.8 -6.3 8 11 A I S S+ 0 0 137 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.826 81.5 40.9-105.0 94.3 21.3 7.0 -8.0 9 12 A A S S- 0 0 68 -2,-0.9 0, 0.0 2,-0.1 0, 0.0 -0.846 107.0 -88.7 163.6-175.1 22.5 10.0 -6.0 10 13 A D S S+ 0 0 168 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 0.326 88.0 126.5 -90.0 7.2 26.1 11.0 -4.9 11 14 A E - 0 0 43 1,-0.1 125,-0.2 124,-0.0 -2,-0.1 -0.192 58.7-122.8 -88.9 152.7 25.7 8.9 -1.8 12 15 A P - 0 0 67 0, 0.0 2,-0.5 0, 0.0 125,-0.2 -0.350 35.4-104.1 -75.3 161.9 27.5 6.0 0.0 13 16 A L E -a 137 0A 3 123,-3.1 125,-2.8 -2,-0.1 2,-0.6 -0.816 34.0-153.7 -83.4 123.8 25.9 2.6 0.8 14 17 A T E -a 138 0A 59 -2,-0.5 2,-0.5 123,-0.2 31,-0.4 -0.913 4.8-160.2-101.8 119.1 25.0 2.5 4.5 15 18 A V E -a 139 0A 0 123,-2.4 125,-2.0 -2,-0.6 2,-0.7 -0.875 11.2-141.7 -95.9 131.5 24.9 -1.0 6.0 16 19 A N E -aB 140 43A 53 27,-4.0 27,-1.0 -2,-0.5 2,-0.3 -0.852 26.1-176.5-100.3 114.7 23.0 -1.3 9.2 17 20 A T E +aB 141 42A 0 123,-2.9 125,-1.7 -2,-0.7 2,-0.3 -0.790 12.8 167.9-113.0 148.2 24.6 -3.7 11.7 18 21 A G E - B 0 41A 0 23,-1.6 23,-2.6 -2,-0.3 2,-0.4 -0.972 18.0-149.8-154.6 153.1 23.8 -5.1 15.1 19 22 A I E - B 0 40A 0 -2,-0.3 128,-1.9 21,-0.2 2,-0.5 -0.966 6.3-170.4-123.8 129.6 25.1 -7.8 17.4 20 23 A Y E -cB 147 39A 32 19,-1.5 19,-2.1 -2,-0.4 128,-0.3 -0.949 24.8-131.3-122.6 112.5 23.0 -9.8 19.9 21 24 A L E +cB 148 38A 1 126,-1.9 128,-2.7 -2,-0.5 17,-0.3 -0.388 33.6 164.9 -70.6 127.7 25.0 -11.9 22.3 22 25 A I E S+ 0 0 16 15,-3.3 2,-0.4 1,-0.4 16,-0.2 0.831 71.5 14.7-101.8 -62.1 23.9 -15.5 22.7 23 26 A E E - B 0 37A 13 14,-2.6 14,-4.4 129,-0.1 -1,-0.4 -0.973 59.4-177.9-117.8 137.2 26.9 -17.1 24.4 24 27 A C E + B 0 36A 0 -2,-0.4 129,-0.4 129,-0.3 2,-0.3 -0.999 29.3 127.5-128.6 135.4 29.8 -15.4 26.0 25 28 A Y E + B 0 35A 11 10,-2.5 10,-3.2 -2,-0.4 129,-0.1 -0.993 28.4 56.3-176.5 169.1 32.6 -17.5 27.4 26 29 A S E - 0 0 54 -2,-0.3 2,-0.6 8,-0.2 -1,-0.1 0.924 49.7-174.3 52.5 54.8 36.3 -18.6 27.8 27 30 A L E - 0 0 26 128,-0.2 2,-0.6 7,-0.2 7,-0.2 -0.717 7.8-164.8 -75.5 122.2 37.9 -15.3 29.0 28 31 A D E >> - B 0 33A 73 5,-3.0 4,-2.0 -2,-0.6 5,-1.3 -0.919 13.4-168.1-118.9 110.4 41.6 -16.1 29.1 29 32 A D T 45S+ 0 0 26 -2,-0.6 82,-0.2 2,-0.2 -1,-0.2 0.864 86.0 49.1 -69.7 -39.8 43.8 -13.7 30.9 30 33 A K T 45S+ 0 0 109 1,-0.2 -1,-0.2 213,-0.1 215,-0.2 0.923 122.6 34.4 -67.1 -41.4 47.2 -14.9 29.8 31 34 A A T 45S- 0 0 37 2,-0.1 -2,-0.2 213,-0.1 -1,-0.2 0.665 101.3-135.7 -82.7 -20.7 46.1 -14.9 26.1 32 35 A E T <5 + 0 0 17 -4,-2.0 77,-0.8 1,-0.2 2,-0.3 0.906 61.2 118.7 60.8 47.5 43.8 -11.8 26.5 33 36 A T E < -BD 28 108A 5 -5,-1.3 -5,-3.0 75,-0.2 2,-0.3 -0.928 42.4-165.9-133.4 161.7 41.0 -13.3 24.5 34 37 A F E - D 0 107A 2 73,-1.9 73,-2.0 -2,-0.3 2,-0.4 -0.973 19.0-128.5-142.9 158.6 37.3 -14.4 24.9 35 38 A K E -BD 25 106A 61 -10,-3.2 -10,-2.5 -2,-0.3 2,-0.4 -0.864 26.5-171.8-108.8 145.3 35.0 -16.4 22.8 36 39 A V E -BD 24 105A 1 69,-2.2 69,-1.3 -2,-0.4 2,-0.5 -0.983 18.2-160.8-140.1 142.4 31.6 -15.2 21.8 37 40 A N E +BD 23 104A 9 -14,-4.4 -15,-3.3 -2,-0.4 -14,-2.6 -0.984 34.7 140.6-124.7 125.3 28.4 -16.5 20.1 38 41 A A E -BD 21 103A 0 65,-2.1 65,-2.8 -2,-0.5 2,-0.4 -0.907 50.4 -98.1-150.7 165.0 26.0 -14.0 18.7 39 42 A F E -BD 20 102A 6 -19,-2.1 -19,-1.5 -2,-0.3 2,-0.5 -0.820 29.4-152.6 -85.2 134.7 23.7 -13.0 15.9 40 43 A L E -BD 19 101A 0 61,-2.5 61,-2.5 -2,-0.4 2,-0.5 -0.955 11.4-164.7-102.3 127.5 25.0 -10.7 13.3 41 44 A S E -BD 18 100A 2 -23,-2.6 -23,-1.6 -2,-0.5 2,-0.4 -0.958 7.3-177.5-112.3 129.0 22.3 -8.6 11.7 42 45 A L E +BD 17 99A 2 57,-2.6 57,-3.5 -2,-0.5 2,-0.3 -0.969 2.5 177.1-122.5 138.2 23.0 -6.8 8.5 43 46 A S E +BD 16 98A 14 -27,-1.0 -27,-4.0 -2,-0.4 2,-0.3 -0.969 11.1 145.8-143.0 131.4 20.6 -4.5 6.7 44 47 A W E - D 0 97A 7 53,-0.8 53,-3.2 -2,-0.3 2,-0.7 -0.963 43.3-102.8-155.2 166.0 21.1 -2.4 3.5 45 48 A K E + D 0 96A 48 -31,-0.4 2,-0.6 -2,-0.3 51,-0.2 -0.861 31.1 169.5-102.7 108.8 19.2 -1.0 0.4 46 49 A D > - 0 0 1 49,-2.4 3,-1.5 -2,-0.7 4,-0.1 -0.923 12.8-169.0-114.9 108.6 19.8 -2.7 -3.0 47 50 A R G > S+ 0 0 120 -2,-0.6 3,-2.6 1,-0.3 -1,-0.1 0.794 77.2 75.1 -72.6 -27.9 17.2 -1.3 -5.5 48 51 A R G 3 S+ 0 0 98 1,-0.3 -1,-0.3 47,-0.1 47,-0.1 0.699 96.2 51.1 -53.5 -22.8 18.0 -3.9 -8.2 49 52 A L G < S+ 0 0 26 -3,-1.5 -1,-0.3 46,-0.1 46,-0.2 0.428 85.3 127.7 -96.2 0.6 16.1 -6.4 -6.1 50 53 A A < + 0 0 50 -3,-2.6 2,-0.3 44,-0.2 44,-0.2 -0.120 31.2 171.6 -66.4 154.6 13.0 -4.2 -5.6 51 54 A F - 0 0 30 42,-2.5 44,-0.1 41,-0.1 -2,-0.0 -0.979 36.9 -93.5-157.8 161.6 9.4 -5.4 -6.5 52 55 A D > - 0 0 55 -2,-0.3 4,-2.5 1,-0.1 5,-0.4 -0.757 25.3-152.0 -88.4 120.8 5.7 -4.6 -6.2 53 56 A P H > S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.882 93.4 39.3 -57.0 -45.8 3.9 -6.0 -3.1 54 57 A V H 4 S+ 0 0 129 2,-0.2 5,-0.0 1,-0.2 -2,-0.0 0.850 119.1 44.5 -79.6 -38.5 0.4 -6.3 -4.6 55 58 A R H 4 S+ 0 0 204 1,-0.1 -1,-0.2 3,-0.1 0, 0.0 0.905 122.6 38.8 -65.3 -45.5 1.4 -7.5 -8.1 56 59 A S H < S- 0 0 56 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.1 0.762 96.4-150.7 -79.7 -29.3 3.9 -10.0 -6.7 57 60 A G < + 0 0 45 -4,-1.7 2,-0.5 -5,-0.4 -3,-0.1 0.194 60.0 103.7 84.2 -17.9 1.6 -10.8 -3.8 58 61 A V - 0 0 61 -6,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.869 64.0-146.2 -97.0 130.8 4.2 -11.7 -1.2 59 62 A R S S+ 0 0 169 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.887 86.6 16.7 -57.6 -37.5 4.9 -9.2 1.5 60 63 A V - 0 0 33 32,-0.2 2,-0.4 -3,-0.1 32,-0.2 -0.999 69.6-139.8-145.0 139.5 8.6 -10.3 1.4 61 64 A K E -E 91 0A 79 30,-2.5 30,-3.4 -2,-0.3 2,-0.5 -0.814 16.1-145.7-101.1 137.4 11.0 -12.3 -0.8 62 65 A T E -E 90 0A 53 -2,-0.4 2,-0.3 28,-0.2 28,-0.2 -0.864 16.8-174.9-108.6 126.8 13.6 -14.8 0.4 63 66 A Y - 0 0 60 26,-0.7 26,-0.2 -2,-0.5 -2,-0.0 -0.832 24.9-125.6-116.6 154.4 17.0 -15.4 -1.2 64 67 A E >> - 0 0 99 -2,-0.3 3,-1.7 1,-0.1 4,-0.7 -0.731 38.9-109.0 -89.1 150.7 19.9 -17.7 -0.7 65 68 A P T 34 S+ 0 0 39 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.736 115.5 58.6 -55.7 -30.1 23.3 -16.0 -0.2 66 69 A E T 34 S+ 0 0 145 1,-0.2 4,-0.0 3,-0.1 -3,-0.0 0.794 96.6 64.6 -72.5 -27.2 24.7 -16.9 -3.6 67 70 A A T <4 S+ 0 0 59 -3,-1.7 2,-0.2 2,-0.0 -1,-0.2 0.944 106.5 32.7 -59.2 -50.4 21.8 -15.2 -5.4 68 71 A I S < S- 0 0 11 -4,-0.7 2,-0.3 -3,-0.1 -66,-0.1 -0.697 86.4 -97.8-118.6 158.6 22.6 -11.7 -4.3 69 72 A W - 0 0 32 -2,-0.2 -67,-0.1 -66,-0.2 -3,-0.1 -0.593 38.9-173.7 -71.2 131.2 25.5 -9.4 -3.5 70 73 A I - 0 0 35 -2,-0.3 2,-0.0 -5,-0.1 0, 0.0 -0.965 28.5-108.9-125.2 140.7 26.1 -9.2 0.2 71 74 A P - 0 0 8 0, 0.0 2,-1.0 0, 0.0 58,-0.0 -0.360 30.4-113.8 -73.0 153.4 28.7 -6.8 1.6 72 75 A E - 0 0 102 58,-0.2 58,-0.6 1267,-0.1 2,-0.5 -0.730 37.4-177.4 -92.5 108.4 31.9 -8.3 3.1 73 76 A I E -H 129 0B 9 -2,-1.0 2,-0.3 56,-0.1 56,-0.2 -0.873 4.5-178.7-106.9 124.6 31.8 -7.5 6.8 74 77 A R E -H 128 0B 36 54,-2.2 54,-2.4 -2,-0.5 2,-0.4 -0.834 27.2-121.3-120.3 156.8 34.8 -8.6 8.8 75 78 A F E -H 127 0B 6 -2,-0.3 3,-0.3 52,-0.2 52,-0.2 -0.803 16.6-150.2 -91.5 139.2 35.8 -8.5 12.4 76 79 A V S S+ 0 0 13 50,-2.9 2,-0.8 -2,-0.4 -1,-0.1 0.948 84.5 40.1 -76.9 -49.6 39.0 -6.6 13.1 77 80 A N S S+ 0 0 7 49,-0.2 31,-0.9 47,-0.1 2,-0.3 -0.763 80.2 118.2-107.3 102.1 40.2 -8.4 16.2 78 81 A V B -F 107 0A 3 -2,-0.8 29,-0.2 29,-0.3 1197,-0.1 -0.980 64.0-127.3-152.5 145.6 39.7 -12.2 15.9 79 82 A E S S- 0 0 7 27,-2.4 2,-0.2 -2,-0.3 -1,-0.1 0.967 94.4 -3.5 -62.2 -52.5 42.2 -15.1 15.9 80 83 A N S S- 0 0 83 26,-0.2 26,-0.2 -3,-0.1 2,-0.1 -0.748 100.3 -65.5-125.5-177.7 40.6 -16.4 12.6 81 84 A A - 0 0 61 -2,-0.2 -1,-0.1 1254,-0.1 -7,-0.1 -0.468 69.4 -96.5 -63.8 141.2 37.7 -15.5 10.4 82 85 A R - 0 0 54 -2,-0.1 2,-0.7 1,-0.1 23,-0.2 -0.190 27.0-123.7 -60.8 149.3 34.5 -16.1 12.3 83 86 A D E + G 0 104A 70 21,-1.9 21,-2.2 -3,-0.1 2,-0.3 -0.887 45.9 173.1 -96.6 112.0 32.6 -19.3 11.8 84 87 A A E - G 0 103A 32 -2,-0.7 2,-0.4 19,-0.2 19,-0.2 -0.938 28.4-161.3-129.6 143.3 29.1 -18.2 10.7 85 88 A D E - G 0 102A 85 17,-1.8 17,-2.0 -2,-0.3 2,-0.5 -0.986 28.6-123.2-123.5 127.4 25.8 -19.8 9.4 86 89 A V E - G 0 101A 47 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.519 25.3-176.0 -76.9 118.6 23.3 -17.7 7.6 87 90 A V E - 0 0 11 13,-2.1 2,-0.3 -2,-0.5 14,-0.2 0.927 62.1 -16.1 -75.3 -52.9 20.0 -17.9 9.4 88 91 A N E - G 0 100A 39 12,-1.9 12,-1.9 2,-0.0 2,-0.4 -0.987 45.5-159.2-155.3 147.3 17.8 -15.9 7.0 89 92 A I E + G 0 99A 5 -2,-0.3 -26,-0.7 -26,-0.2 2,-0.4 -0.997 21.0 176.4-128.2 133.8 17.8 -13.4 4.1 90 93 A S E -EG 62 98A 6 8,-1.7 8,-2.8 -2,-0.4 2,-0.5 -0.995 17.4-159.2-139.2 133.1 14.8 -11.3 3.3 91 94 A V E -EG 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