==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-02 1IWF . COMPND 2 MOLECULE: GASTRIC H/K-ATPASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.FUJITANI,M.KANAGAWA,T.AIZAWA,T.OHKUBO,S.KAYA,M.DEMURA, . 34 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 14.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 14.7 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+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 225 0, 0.0 2,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.8 0.9 17.7 14.8 2 2 A G + 0 0 81 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.493 360.0 45.5 91.2 -69.8 4.6 16.4 14.6 3 3 A K S S- 0 0 192 -2,-1.5 -1,-0.2 0, 0.0 0, 0.0 0.809 95.8-159.4 -77.3 -27.6 3.8 13.2 12.6 4 4 A A - 0 0 79 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.368 3.9-132.1 61.1 151.4 1.5 15.1 10.2 5 5 A E - 0 0 186 4,-0.0 2,-0.1 0, 0.0 -1,-0.1 -0.944 6.4-130.6-136.4 158.8 -1.1 13.1 8.2 6 6 A N - 0 0 86 -2,-0.3 4,-0.0 1,-0.1 -2,-0.0 -0.372 19.0-122.1 -99.3-176.9 -2.2 12.9 4.6 7 7 A Y S S+ 0 0 179 -2,-0.1 -1,-0.1 1,-0.1 3,-0.0 0.906 101.2 2.6 -92.3 -55.4 -5.7 13.1 3.1 8 8 A E S S+ 0 0 132 1,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.335 97.2 111.4-127.9 53.1 -5.9 9.8 1.1 9 9 A L S S+ 0 0 104 1,-0.1 3,-0.4 2,-0.1 -1,-0.1 0.923 89.3 22.8 -89.0 -71.4 -2.6 8.1 1.8 10 10 A Y S S+ 0 0 146 1,-0.2 4,-0.4 -4,-0.0 -1,-0.1 0.464 103.7 89.8 -76.4 4.2 -3.3 5.0 4.0 11 11 A Q + 0 0 133 1,-0.1 2,-0.7 2,-0.1 -1,-0.2 0.001 56.1 110.6 -88.1 32.7 -6.9 5.1 2.6 12 12 A V S S- 0 0 102 -3,-0.4 -1,-0.1 1,-0.1 -4,-0.0 -0.565 109.2 -67.3-106.0 68.9 -5.7 2.8 -0.2 13 13 A E S S- 0 0 173 -2,-0.7 -2,-0.1 3,-0.0 -1,-0.1 0.961 72.8-158.8 49.7 55.8 -7.4 -0.4 0.6 14 14 A L + 0 0 113 -4,-0.4 3,-0.3 2,-0.1 -3,-0.0 0.002 60.5 48.9 -56.0 173.2 -5.4 -0.9 3.8 15 15 A G S S- 0 0 15 1,-0.2 2,-1.9 7,-0.0 7,-0.0 0.884 83.8-126.9 55.3 101.0 -5.1 -4.4 5.2 16 16 A P + 0 0 128 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.530 60.5 135.1 -77.9 78.5 -4.1 -6.8 2.4 17 17 A G + 0 0 31 -2,-1.9 5,-0.1 -3,-0.3 -3,-0.0 -0.658 10.5 144.4-131.5 80.1 -6.9 -9.3 2.9 18 18 A P + 0 0 113 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.962 59.4 54.1 -78.3 -81.0 -8.4 -10.2 -0.5 19 19 A S S S- 0 0 115 2,-0.0 2,-0.0 0, 0.0 0, 0.0 -0.322 125.6 -18.2 -57.5 132.5 -9.4 -13.9 -0.4 20 20 A G S S- 0 0 64 2,-0.0 2,-0.2 -3,-0.0 -3,-0.1 -0.362 109.1 -51.4 67.0-147.4 -11.7 -14.5 2.6 21 21 A D - 0 0 160 2,-0.0 2,-0.3 -2,-0.0 -2,-0.0 -0.533 54.9-103.6-115.3-174.9 -11.5 -11.8 5.3 22 22 A M + 0 0 73 -2,-0.2 -5,-0.1 -5,-0.1 -2,-0.0 -0.786 48.0 137.7-111.0 156.5 -8.7 -10.1 7.2 23 23 A A + 0 0 56 -2,-0.3 5,-0.1 2,-0.0 -2,-0.0 0.063 6.6 146.1 167.7 67.1 -7.6 -10.7 10.8 24 24 A A - 0 0 76 3,-0.1 4,-0.1 0, 0.0 -2,-0.0 0.215 67.0-113.1-100.4 16.5 -3.8 -10.9 11.5 25 25 A K S S+ 0 0 169 1,-0.1 3,-0.0 2,-0.1 -2,-0.0 0.983 91.3 94.3 52.3 68.5 -4.2 -9.3 15.0 26 26 A M S S+ 0 0 170 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.341 85.7 20.0-149.1 -60.1 -2.4 -6.1 14.2 27 27 A S + 0 0 77 2,-0.0 2,-0.8 1,-0.0 -3,-0.1 -0.795 62.1 162.6-124.9 91.2 -4.7 -3.2 13.1 28 28 A K + 0 0 157 -2,-0.5 3,-0.1 1,-0.1 2,-0.1 -0.681 20.5 134.6-109.6 81.0 -8.3 -3.8 14.2 29 29 A K + 0 0 188 -2,-0.8 -1,-0.1 1,-0.1 -2,-0.0 -0.403 16.3 136.0-122.2 57.3 -10.0 -0.3 13.9 30 30 A K S S- 0 0 178 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.999 81.4 -64.2 -67.1 -67.8 -13.3 -1.2 12.2 31 31 A A + 0 0 85 -3,-0.1 -1,-0.1 3,-0.0 -2,-0.1 -0.109 61.7 165.2 174.9 74.4 -15.7 0.9 14.3 32 32 A G - 0 0 85 1,-0.1 2,-0.1 2,-0.0 -3,-0.0 0.899 67.5 -17.2 -65.7 -97.6 -16.1 0.1 18.0 33 33 A R 0 0 250 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.277 360.0 360.0 -98.5-170.4 -17.8 3.0 19.7 34 34 A G 0 0 141 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 -0.358 360.0 360.0 156.3 360.0 -18.2 6.6 18.6