==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 04-JUN-09 2KJN . COMPND 2 MOLECULE: LAH4; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.GEORGESCU,B.BECHINGER . 26 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 76.9 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 . 3 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 57.7 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 0 1 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 K 0 0 237 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.6 -8.0 2.8 16.0 2 2 A K + 0 0 208 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.654 360.0 173.0 -78.7 115.2 -9.2 5.9 14.2 3 3 A A - 0 0 83 -2,-0.6 2,-0.2 3,-0.0 3,-0.0 -0.862 17.9-147.6-122.6 158.2 -9.4 5.2 10.5 4 4 A L - 0 0 158 -2,-0.3 2,-0.4 1,-0.1 0, 0.0 -0.509 39.8 -70.5-112.7-176.3 -10.7 7.1 7.5 5 5 A L S S+ 0 0 175 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.646 74.1 121.8 -80.5 127.1 -12.3 6.2 4.2 6 6 A A - 0 0 62 -2,-0.4 2,-0.7 -3,-0.0 3,-0.1 -0.978 64.8 -85.7-170.8 171.1 -9.9 4.5 1.8 7 7 A L > - 0 0 101 -2,-0.3 4,-2.9 1,-0.2 5,-0.1 -0.826 24.9-157.9 -96.3 114.1 -9.2 1.4 -0.2 8 8 A A H > S+ 0 0 84 -2,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.749 93.3 55.4 -59.3 -24.4 -7.4 -1.2 1.8 9 9 A L H >> S+ 0 0 125 2,-0.2 3,-1.9 1,-0.1 4,-1.8 0.992 110.8 37.6 -71.4 -67.3 -6.2 -2.7 -1.4 10 10 A H H 3> S+ 0 0 137 1,-0.3 4,-3.8 2,-0.2 6,-0.2 0.899 109.0 69.6 -49.8 -40.4 -4.5 0.4 -2.9 11 11 A H H 3X S+ 0 0 86 -4,-2.9 4,-2.7 1,-0.3 -1,-0.3 0.855 101.4 43.4 -43.3 -44.6 -3.5 0.9 0.6 12 12 A L H X S+ 0 0 46 -4,-2.2 4,-4.9 2,-0.2 3,-0.6 0.995 113.3 37.8 -66.5 -63.5 9.3 0.4 -3.3 21 21 A L H 3X S+ 0 0 96 -4,-1.8 4,-4.4 1,-0.3 -2,-0.2 0.918 116.1 55.4 -53.2 -46.2 11.3 3.6 -3.3 22 22 A A H 3< S+ 0 0 65 -4,-4.7 -1,-0.3 1,-0.2 -2,-0.2 0.848 119.1 33.2 -56.1 -36.7 12.5 2.7 0.2 23 23 A L H << S+ 0 0 133 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.864 124.7 42.9 -86.7 -42.9 13.8 -0.6 -1.2 24 24 A K H < S+ 0 0 146 -4,-4.9 2,-0.7 -5,-0.2 -3,-0.2 0.865 99.2 79.6 -72.1 -39.4 14.7 0.7 -4.7 25 25 A K < 0 0 128 -4,-4.4 -1,-0.1 -5,-0.4 -4,-0.0 -0.628 360.0 360.0 -77.2 114.4 16.3 3.9 -3.5 26 26 A A 0 0 142 -2,-0.7 -3,-0.1 0, 0.0 -2,-0.0 -0.758 360.0 360.0 -94.1 360.0 19.8 3.2 -2.3