==== 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 02-MAY-02 1IWC . 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) . 3685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 47.1 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 . 1 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 35.3 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 1 0 0 0 1 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 0 219 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.0 4.2 -23.5 -15.9 2 2 A G - 0 0 53 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.763 360.0-168.7-104.0 151.3 3.1 -19.9 -15.8 3 3 A K S S- 0 0 189 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.847 77.4 -30.1-102.4 -58.2 -0.5 -18.6 -16.0 4 4 A A S > S+ 0 0 45 3,-0.1 4,-2.1 2,-0.0 5,-0.4 -0.056 82.6 134.6-155.6 42.3 -0.3 -14.8 -16.6 5 5 A E H > S+ 0 0 144 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.963 87.7 37.7 -62.1 -48.6 2.9 -13.5 -15.0 6 6 A N H > S+ 0 0 129 3,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.681 113.2 63.8 -76.2 -14.0 3.8 -11.4 -18.0 7 7 A Y H >> S+ 0 0 139 2,-0.2 4,-1.5 3,-0.1 3,-0.6 0.991 111.1 29.5 -72.8 -65.8 0.1 -10.7 -18.4 8 8 A E H 3X S+ 0 0 124 -4,-2.1 4,-2.3 1,-0.2 3,-0.4 0.945 117.9 58.6 -60.9 -45.5 -0.6 -8.7 -15.1 9 9 A L H 3X S+ 0 0 94 -4,-1.6 4,-0.9 -5,-0.4 -1,-0.2 0.843 104.3 54.3 -54.2 -29.5 3.0 -7.4 -15.1 10 10 A Y H X S+ 0 0 73 -4,-1.5 4,-1.3 -3,-0.4 3,-0.6 0.947 109.5 50.9 -65.6 -45.6 -0.9 -4.0 -17.2 12 12 A V H 3< S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.805 109.2 53.8 -62.7 -24.7 1.0 -2.6 -14.2 13 13 A E H 3< S+ 0 0 138 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.782 112.1 44.6 -80.6 -25.7 3.7 -1.4 -16.7 14 14 A L H << S+ 0 0 114 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.1 0.955 122.1 16.3 -81.0 -75.2 1.1 0.4 -18.9 15 15 A G S < S- 0 0 28 -4,-1.3 6,-0.1 1,-0.1 0, 0.0 -0.256 81.7-109.7 -89.3-176.7 -1.1 2.3 -16.4 16 16 A P S S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.943 95.6 34.7 -78.0 -87.3 -0.5 3.2 -12.8 17 17 A G - 0 0 30 3,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.473 68.6-148.9 -72.6 143.9 -2.8 1.1 -10.6 18 18 A P S S+ 0 0 70 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.922 98.8 27.9 -78.3 -50.3 -3.6 -2.4 -11.8 19 19 A S S S+ 0 0 108 1,-0.2 4,-0.3 3,-0.1 5,-0.3 0.293 110.6 75.2 -95.3 11.8 -7.2 -2.7 -10.3 20 20 A G S S+ 0 0 37 1,-0.2 -3,-0.2 4,-0.1 -1,-0.2 -0.098 83.8 66.4-112.2 36.0 -7.7 1.1 -10.5 21 21 A D S S+ 0 0 85 -3,-0.4 -1,-0.2 -5,-0.1 -6,-0.1 -0.364 101.6 27.6-152.3 65.9 -8.2 1.3 -14.3 22 22 A M S S+ 0 0 144 -3,-0.2 -2,-0.1 0, 0.0 -3,-0.1 0.013 128.9 19.5 174.5 -50.0 -11.4 -0.5 -15.4 23 23 A A S > S+ 0 0 73 -4,-0.3 4,-1.0 3,-0.1 -3,-0.1 0.641 121.4 54.7-113.6 -24.7 -14.1 -0.5 -12.7 24 24 A A H > S+ 0 0 50 -5,-0.3 4,-1.7 2,-0.2 5,-0.3 0.920 107.7 48.8 -77.0 -43.0 -12.8 2.3 -10.4 25 25 A K H > S+ 0 0 128 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.827 116.6 44.5 -66.3 -27.7 -12.7 4.9 -13.2 26 26 A M H > S+ 0 0 97 2,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.707 106.4 61.2 -88.4 -19.9 -16.3 3.9 -14.2 27 27 A S H < S+ 0 0 79 -4,-1.0 -2,-0.2 2,-0.2 -3,-0.1 0.904 113.1 34.8 -73.6 -39.2 -17.5 3.8 -10.6 28 28 A K H >< S+ 0 0 168 -4,-1.7 3,-0.8 1,-0.1 4,-0.3 0.852 115.0 56.7 -83.3 -34.5 -16.8 7.5 -10.0 29 29 A K H 3< S+ 0 0 158 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.2 0.915 126.5 19.9 -63.5 -39.5 -17.7 8.6 -13.6 30 30 A K T 3< S+ 0 0 149 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.490 93.4 109.6-128.2 65.1 -21.2 7.0 -13.2 31 31 A A < + 0 0 51 -3,-0.8 -3,-0.1 -2,-0.1 -2,-0.1 0.843 26.1 127.1-101.9 -66.6 -21.8 6.7 -9.4 32 32 A G S S+ 0 0 79 -4,-0.3 2,-1.2 1,-0.1 -2,-0.1 -0.185 79.2 36.7 45.1-114.0 -24.4 9.2 -8.4 33 33 A R 0 0 239 1,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 -0.474 360.0 360.0 -66.9 98.2 -26.9 7.0 -6.6 34 34 A G 0 0 128 -2,-1.2 -1,-0.1 0, 0.0 -2,-0.1 -0.713 360.0 360.0-116.3 360.0 -24.5 4.6 -4.9