==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 14-AUG-12 2LX5 . COMPND 2 MOLECULE: ATP SYNTHASE EPSILON CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.BASAK,S.RISHIKESAN,G.GRUBER . 18 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 77.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 66.7 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 1 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 D >> 0 0 153 0, 0.0 4,-1.1 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 160.5 1.7 -0.1 -1.1 2 2 A P H 3> + 0 0 105 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.726 360.0 53.9 -69.7 -22.4 5.3 -1.3 -1.7 3 3 A R H 34 S+ 0 0 221 1,-0.2 4,-0.1 2,-0.2 0, 0.0 0.476 106.1 53.8 -90.1 -4.1 6.4 2.2 -2.4 4 4 A I H <> S+ 0 0 121 -3,-1.0 4,-0.6 2,-0.1 3,-0.2 0.690 106.5 49.0 -99.8 -25.7 5.0 3.4 0.9 5 5 A A H X S+ 0 0 66 -4,-1.1 4,-1.7 2,-0.2 5,-0.2 0.792 96.3 70.2 -83.2 -30.8 6.8 0.9 3.1 6 6 A A H < S+ 0 0 78 -4,-0.8 4,-0.3 1,-0.3 -1,-0.2 0.758 106.7 41.0 -57.5 -24.5 10.2 1.6 1.5 7 7 A R H > S+ 0 0 215 -3,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.697 105.6 63.8 -95.3 -24.7 10.0 4.9 3.3 8 8 A G H >X S+ 0 0 40 -4,-0.6 4,-0.6 1,-0.2 3,-0.5 0.817 100.1 52.9 -69.0 -30.7 8.6 3.6 6.6 9 9 A R H 3X S+ 0 0 211 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.791 94.7 70.0 -74.3 -28.9 11.7 1.5 7.2 10 10 A A H 3> S+ 0 0 48 -4,-0.3 4,-3.2 -5,-0.2 5,-0.3 0.798 87.5 70.1 -58.2 -29.0 13.9 4.6 6.8 11 11 A R H