==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 01-SEP-10 2XQ3 . COMPND 2 MOLECULE: GLR4197 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GLOEOBACTER VIOLACEUS PCC 7421; . AUTHOR R.J.C.HILF,C.BERTOZZI,I.ZIMMERMANN,A.REITER,D.TRAUNER,R.DUTZ . 1550 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1189 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 312 20.1 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 . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 214 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.6 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 3 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 5 5 0 0 0 0 0 0 5 RESIDUES PER ALPHA HELIX . 0 3 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 . 15 5 0 1 0 10 3 3 0 0 0 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 2 4 0 2 3 0 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 7 A P 0 0 122 0, 0.0 64,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.0 29.6 -12.4 94.9 2 8 A P - 0 0 45 0, 0.0 2,-0.5 0, 0.0 64,-0.0 -0.119 360.0 -93.9 -69.3 149.6 26.1 -14.1 94.4 3 9 A P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 6,-0.1 -0.433 35.9-123.6 -74.4 108.8 23.3 -14.3 97.1 4 10 A I + 0 0 133 -2,-0.5 2,-0.1 38,-0.1 39,-0.1 -0.282 42.7 178.2 -54.0 110.1 23.4 -17.5 99.1 5 11 A A - 0 0 31 -2,-0.2 -1,-0.1 1,-0.1 37,-0.0 -0.371 39.3-136.3-106.5-179.2 19.9 -19.0 98.6 6 12 A D S S+ 0 0 143 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.497 89.8 4.8-111.4 -18.0 18.1 -22.1 99.8 7 13 A E S S- 0 0 147 124,-0.1 -1,-0.3 123,-0.0 2,-0.3 -0.911 111.6 -41.1-150.0 177.0 16.6 -22.8 96.3 8 14 A P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 124,-0.2 -0.268 65.3-131.2 -46.9 105.6 16.6 -21.5 92.7 9 15 A L E -a 132 0A 17 122,-0.9 124,-1.4 -2,-0.3 2,-0.4 -0.455 16.1-136.6 -63.5 125.3 16.5 -17.7 93.2 10 16 A T E -a 133 0A 52 -2,-0.3 2,-0.5 122,-0.2 31,-0.4 -0.693 11.0-157.7 -86.9 130.0 13.9 -16.0 91.1 11 17 A V E -a 134 0A 0 122,-2.5 124,-1.8 -2,-0.4 2,-0.6 -0.952 14.0-141.4-107.1 123.8 14.8 -12.8 89.3 12 18 A N E -a 135 0A 44 27,-3.4 124,-0.2 -2,-0.5 2,-0.2 -0.747 22.8-168.3 -95.4 115.4 11.8 -10.6 88.4 13 19 A T E +a 136 0A 1 122,-3.2 124,-2.8 -2,-0.6 2,-0.3 -0.502 14.0 167.8-105.8 163.6 11.8 -8.8 85.0 14 20 A G - 0 0 0 23,-0.4 23,-3.0 122,-0.2 2,-0.4 -0.931 16.5-151.3-170.4 146.7 10.0 -6.1 83.1 15 21 A I E -B 36 0B 0 -2,-0.3 2,-0.8 21,-0.2 128,-0.7 -0.954 3.7-169.8-133.0 119.1 10.2 -3.9 79.9 16 22 A Y E -B 35 0B 29 19,-1.1 19,-1.6 -2,-0.4 128,-0.1 -0.792 22.2-143.6-106.3 92.6 8.8 -0.4 79.3 17 23 A L E +B 34 0B 2 -2,-0.8 128,-1.7 17,-0.3 17,-0.3 -0.302 25.9 171.5 -52.9 123.9 9.2 0.4 75.6 18 24 A I E + 0 0 6 15,-3.1 2,-0.4 1,-0.4 16,-0.2 0.770 66.2 16.8-101.2 -41.1 10.0 4.1 75.3 19 25 A E E -B 33 0B 13 14,-3.0 14,-2.5 129,-0.1 -1,-0.4 -0.993 56.0-175.2-138.9 139.1 10.9 4.1 71.7 20 26 A C E +B 32 0B 0 -2,-0.4 130,-1.8 12,-0.2 129,-0.3 -0.999 28.2 130.5-129.7 139.1 10.3 1.9 68.6 21 27 A Y E +B 31 0B 5 10,-1.9 10,-1.7 -2,-0.3 3,-0.1 -0.952 37.0 44.9-166.9 178.5 11.8 2.7 65.1 22 28 A S E - 0 0 26 316,-0.3 2,-0.6 -2,-0.3 7,-0.1 0.750 52.4-174.5 35.8 49.8 13.6 1.7 62.0 23 29 A L E - 0 0 20 7,-0.2 2,-0.8 128,-0.2 7,-0.2 -0.651 14.2-153.7 -68.2 117.4 12.0 -1.7 61.4 24 30 A D E >> -B 29 0B 69 5,-3.0 4,-2.3 -2,-0.6 5,-1.1 -0.812 15.5-169.3-108.4 96.0 14.1 -2.9 58.5 25 31 A D T 45S+ 0 0 27 -2,-0.8 -1,-0.2 1,-0.2 82,-0.1 0.803 86.7 51.7 -56.1 -37.4 12.2 -5.4 56.3 26 32 A K T 45S+ 0 0 111 1,-0.2 -1,-0.2 213,-0.1 215,-0.1 0.949 120.7 30.6 -62.2 -52.0 15.3 -6.3 54.3 27 33 A A T 45S- 0 0 26 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.613 102.4-131.2 -84.0 -15.1 17.6 -7.1 57.3 28 34 A E T <5 + 0 0 13 -4,-2.3 77,-0.5 1,-0.2 2,-0.3 0.934 64.8 117.3 60.7 52.1 14.7 -8.3 59.4 29 35 A T E < -B 24 0B 3 -5,-1.1 -5,-3.0 75,-0.2 2,-0.3 -0.909 43.3-163.7-137.2 165.4 15.6 -6.2 62.4 30 36 A F E - C 0 103B 1 73,-2.0 73,-3.4 -2,-0.3 2,-0.5 -0.993 19.2-125.3-150.0 155.0 14.2 -3.4 64.5 31 37 A K E -BC 21 102B 52 -10,-1.7 -10,-1.9 -2,-0.3 2,-0.4 -0.856 27.4-176.5-104.3 132.9 15.6 -0.9 67.0 32 38 A V E -BC 20 101B 0 69,-1.8 69,-0.8 -2,-0.5 2,-0.4 -0.969 14.4-166.6-127.7 146.0 14.0 -0.6 70.5 33 39 A N E +BC 19 100B 1 -14,-2.5 -15,-3.1 -2,-0.4 -14,-3.0 -0.989 34.0 137.8-129.9 119.7 14.7 1.8 73.4 34 40 A A E -BC 17 99B 0 65,-1.9 65,-0.7 -2,-0.4 2,-0.3 -0.917 51.3 -86.8-152.5 173.0 13.1 0.8 76.7 35 41 A F E -BC 16 98B 1 -19,-1.6 -19,-1.1 -2,-0.3 2,-0.5 -0.688 29.7-152.9 -85.3 143.9 13.3 0.3 80.5 36 42 A L E -BC 15 97B 0 61,-1.4 61,-2.4 -2,-0.3 2,-0.6 -0.975 10.7-166.4-119.7 118.6 14.6 -2.9 81.9 37 43 A S E + C 0 96B 6 -23,-3.0 -23,-0.4 -2,-0.5 2,-0.3 -0.894 11.1 172.9-111.0 109.6 13.3 -3.7 85.4 38 44 A L E + C 0 95B 3 -2,-0.6 57,-2.8 57,-0.6 2,-0.3 -0.782 0.4 170.3-111.6 156.9 15.0 -6.4 87.4 39 45 A S E + C 0 94B 18 -2,-0.3 -27,-3.4 55,-0.2 2,-0.3 -0.927 3.1 156.1-166.3 143.7 14.4 -7.6 91.1 40 46 A W E - C 0 93B 7 53,-0.8 53,-2.7 -2,-0.3 2,-0.7 -0.995 43.2 -96.7-162.4 155.8 15.4 -10.3 93.6 41 47 A K E + C 0 92B 116 -31,-0.4 2,-0.4 -2,-0.3 51,-0.3 -0.747 33.8 170.8 -86.9 115.9 15.8 -11.3 97.3 42 48 A D > - 0 0 2 49,-4.6 3,-2.7 -2,-0.7 -1,-0.1 -0.722 6.8-178.1-118.1 70.8 19.4 -10.9 98.4 43 49 A R G > S+ 0 0 132 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.735 70.4 84.0 -41.5 -27.0 18.6 -11.4 102.1 44 50 A R G 3 S+ 0 0 109 1,-0.3 -1,-0.3 47,-0.2 47,-0.1 0.661 94.6 37.9 -55.3 -26.1 22.4 -10.8 102.5 45 51 A L G < S+ 0 0 26 -3,-2.7 46,-0.3 46,-0.2 -1,-0.3 -0.156 78.4 140.3-124.0 38.9 21.9 -7.0 102.5 46 52 A A < - 0 0 50 -3,-2.0 44,-0.2 44,-0.2 42,-0.0 -0.429 36.4-159.7 -69.1 154.3 18.7 -6.7 104.5 47 53 A F - 0 0 31 42,-0.9 5,-0.2 -2,-0.1 43,-0.1 -0.263 24.0-109.0-160.9 67.7 19.1 -3.6 106.8 48 54 A D > - 0 0 82 41,-0.2 4,-1.3 1,-0.1 42,-0.0 0.598 27.5-153.8 30.9 78.2 17.3 -2.7 110.0 49 55 A P T >4 S+ 0 0 65 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.936 91.9 36.0 -47.5 -61.7 15.1 0.3 109.0 50 56 A V T 34 S+ 0 0 134 1,-0.2 -2,-0.1 5,-0.0 5,-0.0 0.948 108.9 64.0 -58.1 -54.3 14.9 1.9 112.4 51 57 A R T 34 S- 0 0 207 1,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.683 119.0 -9.3 -46.6 -29.6 18.5 1.0 113.5 52 58 A S S << S- 0 0 68 -4,-1.3 -5,-0.0 -3,-0.7 -1,-0.0 -0.959 105.3 -7.5-159.1 175.3 20.0 3.2 110.7 53 59 A G S S- 0 0 72 -2,-0.3 2,-0.1 2,-0.0 4,-0.1 0.203 83.3 -63.9 33.2-132.8 19.4 5.3 107.6 54 60 A V - 0 0 103 2,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.444 59.4 -58.5-134.7-161.9 16.0 5.3 105.9 55 61 A R S S+ 0 0 217 1,-0.2 2,-0.3 -2,-0.1 -5,-0.0 0.898 115.6 9.6 -57.3 -50.1 13.2 3.4 104.1 56 62 A V S S- 0 0 50 32,-0.1 2,-0.5 33,-0.1 32,-0.2 -0.988 72.8-134.3-137.0 144.5 15.3 2.2 101.2 57 63 A K E -D 87 0B 102 30,-1.6 30,-1.9 -2,-0.3 2,-0.5 -0.888 14.5-138.7-110.0 120.8 19.1 2.4 100.5 58 64 A T E -D 86 0B 39 -2,-0.5 2,-0.3 28,-0.2 28,-0.2 -0.582 24.9-176.6 -78.0 120.2 20.6 3.5 97.2 59 65 A Y - 0 0 63 26,-0.9 26,-0.3 -2,-0.5 -1,-0.0 -0.806 24.8-125.0-111.8 157.0 23.6 1.5 95.8 60 66 A E >> - 0 0 112 -2,-0.3 4,-0.9 1,-0.1 3,-0.8 -0.642 38.1-106.0 -86.5 155.0 25.9 1.8 92.8 61 67 A P T 34 S+ 0 0 40 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.830 115.9 61.4 -46.7 -42.9 26.2 -1.3 90.5 62 68 A E T 34 S+ 0 0 157 1,-0.1 4,-0.1 3,-0.1 -3,-0.0 0.846 101.6 52.9 -60.2 -37.8 29.7 -2.2 91.8 63 69 A A T <4 S+ 0 0 60 -3,-0.8 -1,-0.1 2,-0.1 3,-0.0 0.996 103.2 53.6 -59.9 -73.3 28.5 -2.8 95.4 64 70 A I S < S- 0 0 12 -4,-0.9 2,-0.5 1,-0.1 0, 0.0 -0.186 89.2-111.3 -60.6 151.4 25.6 -5.2 95.0 65 71 A W - 0 0 38 -64,-0.2 -1,-0.1 -23,-0.0 -3,-0.1 -0.791 41.3-168.0 -77.0 128.4 25.8 -8.5 93.2 66 72 A I - 0 0 41 -2,-0.5 2,-0.2 -5,-0.1 0, 0.0 -0.971 20.8-113.9-124.8 141.3 23.6 -8.1 90.0 67 73 A P - 0 0 12 0, 0.0 2,-0.9 0, 0.0 -29,-0.0 -0.488 27.6-118.1 -77.4 134.6 22.5 -10.8 87.7 68 74 A E - 0 0 115 -2,-0.2 2,-0.8 58,-0.2 58,-0.3 -0.600 33.2-174.5 -71.2 107.2 23.8 -10.8 84.1 69 75 A I - 0 0 11 -2,-0.9 2,-0.3 56,-0.1 56,-0.2 -0.876 6.6-176.9-107.5 98.9 20.8 -10.4 82.0 70 76 A R B -G 124 0C 30 -2,-0.8 54,-2.6 54,-0.7 2,-0.3 -0.725 26.0-123.0 -98.2 141.3 21.8 -10.7 78.4 71 77 A F - 0 0 1 -2,-0.3 3,-0.3 52,-0.3 7,-0.1 -0.699 18.6-150.4 -81.6 138.6 19.5 -10.2 75.4 72 78 A V S S+ 0 0 15 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 0.950 82.4 42.3 -80.6 -54.6 19.4 -13.3 73.1 73 79 A N S S+ 0 0 7 47,-0.0 31,-2.1 1190,-0.0 2,-0.4 -0.655 85.0 129.1 -95.1 78.6 18.6 -12.1 69.6 74 80 A V B -E 103 0B 0 -2,-1.1 29,-0.2 -3,-0.3 4,-0.1 -0.987 58.4-139.2-142.5 135.1 20.8 -9.0 69.4 75 81 A E S S- 0 0 19 27,-1.5 2,-0.3 -2,-0.4 -1,-0.2 0.956 88.2 -3.5 -48.1 -63.7 23.3 -7.6 66.9 76 82 A N S S- 0 0 81 26,-0.3 26,-0.1 1,-0.1 3,-0.1 -0.775 102.6 -54.7-125.0 169.6 25.7 -6.4 69.6 77 83 A A S S- 0 0 36 -2,-0.3 -1,-0.1 1246,-0.2 -2,-0.1 -0.206 71.9-103.1 -35.4 121.5 26.0 -6.1 73.3 78 84 A R - 0 0 49 -7,-0.1 2,-0.4 23,-0.1 23,-0.2 0.022 31.3-124.2 -41.0 164.0 22.8 -4.2 74.4 79 85 A D + 0 0 72 -3,-0.1 2,-0.3 2,-0.0 309,-0.3 -0.590 41.4 163.3-129.7 76.8 23.4 -0.6 75.2 80 86 A A - 0 0 37 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.747 27.6-166.1-108.7 139.2 22.2 0.4 78.8 81 87 A D E - F 0 98B 92 17,-0.6 17,-1.5 -2,-0.3 2,-0.3 -0.898 37.5-115.0-104.4 142.6 22.8 3.2 81.2 82 88 A V E - F 0 97B 49 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.650 25.5-170.1 -86.3 137.9 21.6 2.5 84.8 83 89 A V E - 0 0 6 13,-3.4 2,-0.2 -2,-0.3 14,-0.2 0.844 59.0 -29.6 -99.5 -37.3 18.7 4.5 86.1 84 90 A D E - F 0 96B 24 12,-1.3 12,-0.6 355,-0.0 2,-0.4 -0.846 42.1-152.4-176.8 143.5 18.4 3.6 89.9 85 91 A I E + F 0 95B 4 -26,-0.3 -26,-0.9 -2,-0.2 2,-0.4 -0.995 18.0 177.4-123.5 129.2 19.1 0.8 92.4 86 92 A S E -DF 58 94B 6 8,-2.0 8,-1.0 -2,-0.4 2,-0.5 -0.935 14.4-154.9-137.4 110.3 17.0 0.6 95.6 87 93 A V E -DF 57 93B 0 -30,-1.9 -30,-1.6 -2,-0.4 6,-0.3 -0.738 12.8-145.0 -89.0 123.4 17.4 -2.2 98.2 88 94 A S > - 0 0 37 4,-4.4 3,-1.2 -2,-0.5 -32,-0.1 -0.300 28.1-106.3 -75.3 166.5 14.3 -2.9 100.4 89 95 A P T 3 S+ 0 0 42 0, 0.0 -42,-0.9 0, 0.0 -41,-0.2 0.875 115.3 64.3 -65.8 -37.7 14.8 -3.9 104.0 90 96 A D T 3 S- 0 0 98 -44,-0.2 -44,-0.2 1,-0.1 3,-0.1 0.382 128.8 -94.3 -67.4 9.4 13.9 -7.6 103.5 91 97 A G S < S+ 0 0 0 -3,-1.2 -49,-4.6 -46,-0.3 2,-0.5 0.699 79.8 150.2 82.5 22.6 17.0 -7.8 101.3 92 98 A T E -C 41 0B 40 -51,-0.3 -4,-4.4 -4,-0.1 2,-0.3 -0.786 33.4-150.0 -93.6 122.5 14.9 -7.1 98.2 93 99 A V E -CF 40 87B 0 -53,-2.7 -53,-0.8 -2,-0.5 2,-0.5 -0.715 6.7-158.4 -97.5 141.3 16.7 -5.3 95.3 94 100 A Q E -CF 39 86B 78 -8,-1.0 -8,-2.0 -2,-0.3 2,-0.3 -0.937 16.1-176.4-119.3 109.0 15.0 -3.0 92.8 95 101 A Y E +CF 38 85B 29 -57,-2.8 -57,-0.6 -2,-0.5 2,-0.3 -0.735 6.4 177.2-105.9 148.3 17.0 -2.5 89.5 96 102 A L E +CF 37 84B 9 -12,-0.6 -13,-3.4 -2,-0.3 -12,-1.3 -0.806 4.2 166.7-155.2 113.8 16.2 -0.2 86.6 97 103 A E E -CF 36 82B 11 -61,-2.4 -61,-1.4 -15,-0.3 -15,-0.2 -0.511 27.3-141.4-109.1-177.0 18.1 0.4 83.3 98 104 A R E +CF 35 81B 16 -17,-1.5 -17,-0.6 -63,-0.2 -63,-0.2 -0.573 32.4 175.6-149.9 80.6 17.3 2.1 80.0 99 105 A F E -C 34 0B 0 -65,-0.7 -65,-1.9 -19,-0.2 2,-0.2 -0.221 20.9-164.4 -87.5 171.7 18.8 0.2 77.2 100 106 A S E +C 33 0B 2 -67,-0.2 2,-0.3 -2,-0.1 -67,-0.2 -0.738 23.7 152.3-160.1 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