==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 15-MAR-07 2P5J . COMPND 2 MOLECULE: PIP17; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.M.THWIN,D.S.SATYANARAYANAJOIS,L.M.NAGARAJARAO,K.SATO, . 17 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2439.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 17.6 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 . 2 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 5.9 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 L 0 0 228 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.0 2.1 0.0 -1.2 2 2 A G - 0 0 59 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.600 360.0-165.1-101.5 164.0 0.4 -3.1 -2.5 3 3 A R - 0 0 199 -2,-0.2 2,-0.5 3,-0.0 3,-0.1 -0.869 29.4-114.8-140.0 172.3 -3.1 -3.7 -3.8 4 4 A V S S- 0 0 131 1,-0.4 -2,-0.0 -2,-0.3 0, 0.0 -0.516 74.3 -70.5-110.0 62.9 -5.5 -6.5 -4.6 5 5 A D - 0 0 143 -2,-0.5 -1,-0.4 1,-0.0 2,-0.4 0.397 58.2 -94.1 65.3 151.2 -5.8 -6.2 -8.4 6 6 A I - 0 0 87 1,-0.1 -1,-0.0 2,-0.1 -3,-0.0 -0.810 17.4-140.7-103.2 141.4 -7.6 -3.3 -10.1 7 7 A H S S+ 0 0 175 -2,-0.4 -1,-0.1 6,-0.0 5,-0.1 0.984 85.6 62.0 -60.0 -61.8 -11.3 -3.4 -11.2 8 8 A V S S- 0 0 71 3,-0.1 2,-0.4 5,-0.1 -2,-0.1 -0.195 72.5-154.9 -64.2 158.6 -10.8 -1.5 -14.5 9 9 A W > - 0 0 194 1,-0.1 3,-0.9 0, 0.0 5,-0.2 -0.985 68.0 -3.3-142.9 128.9 -8.6 -3.0 -17.2 10 10 A D T 3 S- 0 0 156 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.804 134.9 -48.9 63.3 29.3 -6.7 -1.2 -20.1 11 11 A G T 3 S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.398 132.7 33.7 109.3 -55.6 -8.2 2.1 -18.9 12 12 A V S < S- 0 0 111 -3,-0.9 2,-0.6 -2,-0.3 -4,-0.0 -0.992 87.4-103.6-137.9 144.3 -11.8 1.1 -18.7 13 13 A Y - 0 0 150 -2,-0.3 -5,-0.1 -5,-0.1 -3,-0.1 -0.524 43.5-125.3 -68.7 111.9 -13.6 -2.1 -17.7 14 14 A I - 0 0 107 -2,-0.6 2,-0.1 -5,-0.2 -1,-0.1 -0.219 28.6-103.9 -57.2 145.2 -14.9 -3.7 -20.9 15 15 A R S S- 0 0 236 1,-0.0 2,-0.6 0, 0.0 -1,-0.1 -0.399 82.6 -22.2 -72.0 147.8 -18.6 -4.5 -21.1 16 16 A G 0 0 64 1,-0.2 -2,-0.0 -2,-0.1 -1,-0.0 -0.345 360.0 360.0 56.2-102.3 -19.7 -8.1 -20.6 17 17 A R 0 0 268 -2,-0.6 -1,-0.2 0, 0.0 -3,-0.1 0.916 360.0 360.0 -91.9 360.0 -16.6 -10.0 -21.6