==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-JUL-09 3I5D . COMPND 2 MOLECULE: P2X PURINOCEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR T.KAWATE,J.C.MICHEL,E.GOUAUX . 977 3 15 15 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 228 23.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 110 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 6 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 4 3 5 3 3 3 0 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 6 0 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 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 36 A R > 0 0 125 0, 0.0 4,-0.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -18.2 -17.7 -45.6 28.8 2 37 A F T 4 + 0 0 83 2,-0.2 4,-0.5 1,-0.1 0, 0.0 0.855 360.0 43.5 -81.4 -41.4 -19.8 -45.3 25.6 3 38 A T T > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.834 109.9 58.4 -72.0 -33.6 -23.1 -44.2 27.2 4 39 A Q H > S+ 0 0 47 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.794 106.8 47.3 -65.7 -30.3 -21.1 -41.8 29.5 5 40 A A H X S+ 0 0 58 -4,-0.6 4,-0.7 2,-0.2 -1,-0.2 0.625 111.3 54.6 -81.8 -16.0 -19.8 -40.0 26.4 6 41 A L H > S+ 0 0 119 -4,-0.5 4,-0.6 -3,-0.3 -2,-0.2 0.884 108.5 43.9 -82.0 -45.7 -23.4 -40.0 25.0 7 42 A V H X S+ 0 0 28 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.832 111.8 54.4 -70.1 -33.6 -25.0 -38.2 28.0 8 43 A I H X>S+ 0 0 94 -4,-1.1 4,-1.3 -5,-0.2 5,-0.6 0.869 113.4 42.5 -65.5 -36.2 -22.2 -35.7 28.1 9 44 A A H <5S+ 0 0 59 -4,-0.7 5,-0.3 3,-0.2 -1,-0.2 0.587 113.7 55.9 -82.3 -12.1 -22.8 -34.9 24.5 10 45 A Y H <>S+ 0 0 78 -4,-0.6 5,-1.9 3,-0.2 4,-0.4 0.849 116.3 31.1 -85.8 -41.7 -26.5 -35.0 25.2 11 46 A V H <>S+ 0 0 16 -4,-2.5 5,-0.6 3,-0.2 -3,-0.2 0.958 131.3 31.3 -81.3 -59.9 -26.5 -32.4 28.0 12 47 A I T <5S+ 0 0 102 -4,-1.3 -3,-0.2 -5,-0.3 4,-0.1 0.909 131.7 36.9 -64.6 -40.9 -23.7 -30.1 26.9 13 48 A G T >>S+ 0 0 99 -4,-0.4 5,-1.4 -5,-0.3 4,-1.3 0.927 128.6 34.1 -93.8 -63.6 -28.0 -31.0 22.9 15 50 A V T 34 + 0 0 39 -6,-0.4 3,-1.2 1,-0.1 -4,-0.3 0.874 29.4 167.4 49.0 46.3 -29.9 -23.5 25.7 21 56 A G T 3 + 0 0 30 -6,-2.9 -5,-0.2 1,-0.3 -1,-0.1 0.418 56.5 78.9 -74.6 0.4 -31.1 -24.7 29.2 22 57 A Y T 3 S+ 0 0 57 -6,-0.1 277,-1.6 -7,-0.1 281,-0.3 0.400 80.5 87.4 -87.3 0.2 -28.2 -23.0 31.1 23 58 A Q B < S-A 298 0A 28 -3,-1.2 2,-0.4 275,-0.2 275,-0.2 -0.685 75.6-128.0 -98.4 151.6 -30.0 -19.6 30.8 24 59 A D - 0 0 36 273,-1.2 273,-0.3 -2,-0.3 2,-0.1 -0.851 32.7-127.1 -93.0 137.8 -32.7 -18.1 33.2 25 60 A T + 0 0 89 -2,-0.4 2,-0.3 271,-0.1 271,-0.2 -0.443 27.0 178.6 -87.1 157.2 -35.8 -16.9 31.3 26 61 A D E -B 295 0B 24 269,-0.7 269,-0.7 -2,-0.1 2,-0.1 -0.871 19.9-136.2-158.8 126.8 -37.5 -13.4 31.4 27 62 A T E -B 294 0B 96 -2,-0.3 2,-0.2 267,-0.2 138,-0.2 -0.395 34.1 -97.8 -80.4 158.4 -40.6 -12.1 29.5 28 63 A V - 0 0 27 265,-1.0 2,-0.6 135,-0.1 135,-0.2 -0.520 15.9-151.0 -84.3 138.1 -40.7 -8.7 27.9 29 64 A L E -G 162 0C 26 133,-2.3 133,-2.0 -2,-0.2 2,-0.3 -0.950 34.8-167.2 -95.4 119.4 -42.2 -5.5 29.3 30 65 A S E +G 161 0C 41 -2,-0.6 2,-0.3 131,-0.2 131,-0.2 -0.724 25.6 178.5-114.1 160.6 -43.3 -3.6 26.2 31 66 A S E -G 160 0C 9 129,-1.0 129,-1.6 -2,-0.3 2,-0.2 -0.899 13.5-171.8-156.4 129.1 -44.4 -0.1 25.1 32 67 A V E -G 159 0C 12 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.755 11.1-165.8-123.7 168.7 -45.3 1.0 21.6 33 68 A T E -G 158 0C 26 125,-1.8 125,-3.1 -2,-0.2 2,-0.3 -0.940 8.9-168.1-156.2 125.2 -46.1 4.2 19.8 34 69 A T E -G 157 0C 27 30,-0.5 2,-0.3 -2,-0.3 123,-0.2 -0.855 9.6-177.1-115.7 150.3 -47.6 4.6 16.3 35 70 A K E -G 156 0C 50 121,-1.6 121,-2.5 -2,-0.3 2,-0.4 -0.824 14.2-155.5-145.0 113.9 -48.0 7.6 13.9 36 71 A V E -G 155 0C 19 -2,-0.3 2,-0.4 119,-0.2 119,-0.2 -0.695 9.5-166.8 -88.0 133.3 -49.8 7.1 10.7 37 72 A K E +G 154 0C 57 117,-3.3 117,-2.2 -2,-0.4 2,-0.2 -0.975 34.1 82.6-123.3 135.0 -49.0 9.5 7.8 38 73 A G - 0 0 29 -2,-0.4 17,-0.7 115,-0.2 2,-0.3 -0.871 48.7-130.1 163.0 169.6 -51.0 9.9 4.6 39 74 A I - 0 0 27 -2,-0.2 2,-0.4 14,-0.2 14,-0.2 -0.978 15.2-156.7-142.2 160.4 -54.0 11.6 2.9 40 75 A A E -J 52 0D 2 12,-1.3 12,-2.6 -2,-0.3 2,-0.3 -0.994 4.8-147.3-141.7 139.4 -56.8 10.3 0.8 41 76 A L E -J 51 0D 39 -2,-0.4 2,-0.4 10,-0.2 108,-0.2 -0.816 11.4-167.6-104.7 144.9 -59.2 11.8 -1.8 42 77 A T E -J 50 0D 7 8,-2.5 2,-1.3 -2,-0.3 8,-0.6 -0.954 17.7-161.0-137.5 120.2 -62.8 10.8 -2.5 43 78 A N E -J 49 0D 140 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.733 29.7-165.2 -87.2 81.8 -65.1 11.8 -5.3 44 79 A T E > -J 48 0D 28 -2,-1.3 4,-0.5 4,-0.9 5,-0.1 -0.114 32.7 -99.8 -59.0 168.1 -68.3 10.9 -3.5 45 80 A S T 4 S- 0 0 118 2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.988 109.2 -4.1 -55.8 -66.5 -71.4 10.6 -5.7 46 81 A E T 4 S+ 0 0 178 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.840 125.8 68.5 -96.6 -39.6 -72.9 14.0 -4.9 47 82 A L T 4 S- 0 0 111 1,-0.1 -2,-0.1 -4,-0.0 -1,-0.1 0.616 89.3-153.3 -62.1 -16.1 -70.5 15.5 -2.4 48 83 A G E < -J 44 0D 29 -4,-0.5 -4,-0.9 2,-0.1 -1,-0.1 0.068 47.1 -2.7 67.9 177.5 -67.8 15.8 -4.9 49 84 A E E S+J 43 0D 60 -6,-0.2 2,-0.3 -8,-0.1 -6,-0.2 -0.028 73.0 170.4 -37.9 135.6 -64.0 15.7 -4.4 50 85 A R E -J 42 0D 26 -8,-0.6 -8,-2.5 736,-0.1 2,-0.4 -0.983 24.3-136.9-156.7 141.4 -63.1 15.6 -0.6 51 86 A I E -J 41 0D 0 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.828 8.2-167.2-108.4 145.1 -60.0 15.0 1.5 52 87 A W E -J 40 0D 4 -12,-2.6 2,-1.5 -2,-0.4 -12,-1.3 -0.933 15.0-148.5-128.9 103.8 -59.5 12.8 4.5 53 88 A D >>> - 0 0 21 -2,-0.5 4,-1.9 -14,-0.2 5,-0.9 -0.604 7.7-149.4 -83.2 95.8 -56.3 13.5 6.4 54 89 A V T 345S+ 0 0 0 -2,-1.5 5,-0.2 1,-0.3 -1,-0.2 0.685 94.6 64.1 -32.6 -31.2 -55.6 10.1 7.8 55 90 A A T 345S+ 0 0 42 -17,-0.7 4,-0.4 3,-0.1 -1,-0.3 0.995 126.5 0.3 -54.8 -72.5 -54.0 12.0 10.6 56 91 A D T <45S+ 0 0 9 -3,-0.8 865,-0.3 2,-0.1 -2,-0.2 0.869 139.7 36.9 -93.3 -41.5 -57.1 13.7 11.9 57 92 A Y T <5S+ 0 0 18 -4,-1.9 -3,-0.2 1,-0.2 -1,-0.1 0.745 116.3 50.0 -88.3 -22.5 -60.0 12.6 9.9 58 93 A I S > - 0 0 61 1,-0.1 4,-3.5 -2,-0.1 3,-0.8 -0.938 62.3-113.5-166.0 140.0 -88.9 -6.6 8.0 90 125 A P T 34 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.822 122.4 43.4 -45.2 -37.9 -91.1 -9.6 8.8 91 126 A A T 34 S+ 0 0 75 1,-0.1 17,-0.1 -3,-0.1 18,-0.1 0.793 120.3 40.9 -79.6 -29.2 -90.8 -8.7 12.5 92 127 A S T <4 S+ 0 0 6 -3,-0.8 35,-1.9 -5,-0.1 -6,-0.2 0.740 89.7 103.0 -91.3 -28.8 -91.3 -5.0 11.9 93 128 A T B < -L 126 0E 73 -4,-3.5 2,-0.3 33,-0.2 33,-0.3 -0.237 51.1-171.0 -60.4 146.7 -94.1 -5.0 9.4 94 129 A b - 0 0 7 31,-1.7 31,-0.2 24,-0.2 3,-0.1 -0.985 31.9-156.8-143.0 149.5 -97.5 -4.2 10.6 95 130 A T S S- 0 0 123 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.717 78.6 -29.8 -91.4 -28.2 -101.1 -4.2 9.3 96 131 A S S >> S- 0 0 47 29,-0.0 3,-1.7 20,-0.0 4,-0.9 -0.965 84.0 -57.9-172.1-177.2 -102.4 -1.6 11.8 97 132 A H T 34 S+ 0 0 141 -2,-0.3 21,-0.0 1,-0.3 30,-0.0 0.677 120.0 68.4 -53.0 -20.2 -102.1 0.1 15.2 98 133 A R T 34 S+ 0 0 87 1,-0.2 -1,-0.3 3,-0.1 18,-0.0 0.834 94.9 51.3 -73.3 -33.9 -102.7 -3.4 16.8 99 134 A D T <4 S+ 0 0 64 -3,-1.7 2,-0.7 1,-0.1 -1,-0.2 0.845 92.5 82.4 -74.8 -34.9 -99.4 -4.9 15.8 100 135 A c < - 0 0 7 -4,-0.9 2,-0.5 15,-0.3 -1,-0.1 -0.643 64.1-167.2 -77.6 111.1 -97.2 -2.0 17.1 101 136 A K > - 0 0 132 -2,-0.7 4,-1.5 13,-0.0 5,-0.3 -0.878 28.2-110.6-101.4 126.9 -96.6 -2.5 20.8 102 137 A R T 4 S- 0 0 176 -2,-0.5 2,-0.3 1,-0.2 12,-0.2 -0.363 91.1 -7.9 -67.9 121.2 -95.2 0.5 22.7 103 138 A G T > S+ 0 0 38 10,-2.6 4,-0.9 -2,-0.3 3,-0.3 -0.264 124.2 70.7 93.0 -46.2 -91.6 0.0 23.9 104 139 A F T 4 S+ 0 0 71 -2,-0.3 4,-0.5 1,-0.2 3,-0.3 0.936 94.3 48.1 -77.1 -50.1 -91.3 -3.7 23.1 105 140 A N T X S+ 0 0 5 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.535 103.2 77.7 -66.3 -3.0 -91.2 -3.7 19.3 106 141 A D T 4>S+ 0 0 0 -3,-0.3 5,-0.9 -5,-0.3 3,-0.4 0.986 78.4 60.4 -68.9 -65.0 -88.6 -0.9 20.0 107 142 A A T ><5S+ 0 0 77 -4,-0.9 3,-0.7 -3,-0.3 -1,-0.2 0.763 101.2 57.9 -34.6 -41.7 -85.5 -3.0 21.0 108 143 A R T 345S+ 0 0 82 -4,-0.5 -1,-0.2 1,-0.2 2,-0.2 0.953 103.9 39.2 -65.3 -61.2 -85.3 -4.8 17.6 109 144 A G T 3<5S- 0 0 33 -4,-0.7 -1,-0.2 -3,-0.4 -22,-0.2 -0.011 113.4 -96.0 -89.7 32.0 -85.0 -2.2 14.8 110 145 A D T < 5S+ 0 0 48 -3,-0.7 22,-0.3 -4,-0.2 2,-0.2 0.922 100.4 67.3 57.9 50.7 -82.6 0.3 16.4 111 146 A G S - 0 0 7 0, 0.0 3,-0.9 0, 0.0 -73,-0.2 -0.331 19.4-130.7 -65.9 148.9 -63.5 1.6 -0.8 146 181 A L T 3 S+ 0 0 40 1,-0.3 2,-1.0 -4,-0.1 3,-0.4 0.941 109.7 46.7 -66.2 -49.2 -63.7 5.4 -0.6 147 182 A L T > S+ 0 0 0 -76,-1.9 3,-1.5 1,-0.2 -1,-0.3 -0.273 73.1 135.9 -86.2 48.5 -60.5 5.7 1.4 148 183 A A G X + 0 0 25 -2,-1.0 3,-1.4 -3,-0.9 -1,-0.2 0.706 57.7 75.4 -68.8 -20.7 -58.8 3.3 -1.0 149 184 A D G > S+ 0 0 72 -3,-0.4 3,-0.8 1,-0.3 -1,-0.3 0.545 72.8 90.5 -64.2 -7.2 -55.8 5.6 -1.0 150 185 A A G X + 0 0 0 -3,-1.5 3,-2.0 1,-0.2 -1,-0.3 0.756 67.4 71.8 -60.4 -29.8 -55.2 4.0 2.4 151 186 A E G < S+ 0 0 18 -3,-1.4 50,-2.9 1,-0.3 51,-0.3 0.910 97.1 51.3 -54.6 -42.3 -53.0 1.3 0.9 152 187 A N G < S+ 0 0 151 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.320 87.3 110.6 -83.2 3.4 -50.3 3.9 0.3 153 188 A F < - 0 0 2 -3,-2.0 47,-2.6 -4,-0.1 2,-0.4 -0.262 55.9-145.4 -71.2 169.2 -50.3 5.2 3.9 154 189 A T E -GH 37 199C 35 -117,-2.2 -117,-3.3 45,-0.3 2,-0.5 -0.999 5.8-153.6-144.4 137.3 -47.5 4.6 6.2 155 190 A V E -GH 36 198C 0 43,-3.1 43,-2.3 -2,-0.4 2,-0.5 -0.942 8.5-147.3-116.1 122.4 -47.2 4.0 9.9 156 191 A L E -GH 35 197C 17 -121,-2.5 -121,-1.6 -2,-0.5 2,-0.6 -0.746 18.0-165.1 -80.5 126.9 -44.2 4.7 12.1 157 192 A I E -G 34 0C 0 39,-2.0 2,-0.4 -2,-0.5 -123,-0.2 -0.923 5.9-172.3-122.3 105.8 -43.9 2.2 14.9 158 193 A K E -G 33 0C 22 -125,-3.1 -125,-1.8 -2,-0.6 2,-0.3 -0.766 5.5-174.6 -94.0 139.9 -41.6 2.9 17.8 159 194 A N E -G 32 0C 1 -2,-0.4 13,-2.0 -127,-0.2 2,-0.5 -0.818 9.2-175.6-142.9 103.5 -41.1 0.1 20.3 160 195 A N E -GI 31 171C 16 -129,-1.6 -129,-1.0 -2,-0.3 2,-0.3 -0.833 16.2-179.8 -92.4 129.6 -39.2 0.5 23.6 161 196 A I E -GI 30 170C 0 9,-2.6 9,-1.7 -2,-0.5 2,-0.3 -0.924 10.1-170.8-130.2 157.4 -38.8 -2.8 25.5 162 197 A R E -GI 29 169C 10 -133,-2.0 -133,-2.3 -2,-0.3 7,-0.3 -0.999 20.6-142.4-145.7 143.2 -37.1 -3.8 28.8 163 198 A Y E > - 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