==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN FIBRIL 04-MAR-12 4E0O . COMPND 2 MOLECULE: CYCLIC PSEUDO-PEPTIDE SVQIVYK(ORN)EF(HAO)(4BF)K(O . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.ZHAO,C.LIU,M.R.SAWAYA,D.EISENBERG . 52 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 46.2 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 . 8 15.4 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 . 4 7.7 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 . 4 7.7 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 2 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 . 2 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 0 A X 0 0 169 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.8 13.9 -7.8 12.3 2 1 A S - 0 0 31 13,-2.0 13,-2.6 2,-0.0 2,-0.2 -0.957 360.0 -88.0-153.5 162.6 15.1 -6.1 15.3 3 2 A V - 0 0 35 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.499 40.8-171.3 -68.0 135.4 14.9 -5.4 19.1 4 3 A Q - 0 0 87 20,-0.2 2,-0.4 -2,-0.2 20,-0.2 -0.996 7.8-177.5-136.5 125.5 12.6 -2.5 19.9 5 4 A I E -A 23 0A 72 18,-2.6 18,-2.6 -2,-0.4 2,-0.4 -0.997 9.1-168.7-124.4 130.2 12.3 -1.0 23.4 6 5 A V E -A 22 0A 49 -2,-0.4 2,-0.5 16,-0.2 16,-0.2 -0.965 15.6-170.4-125.9 137.4 9.8 1.8 24.0 7 6 A Y E A 21 0A 102 14,-2.6 14,-2.4 -2,-0.4 5,-0.2 -0.997 360.0 360.0-117.8 121.8 9.3 4.2 26.9 8 7 A K 0 0 96 3,-2.5 3,-2.6 -2,-0.5 12,-0.2 -0.893 360.0 360.0-135.2 360.0 6.0 6.2 26.7 9 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 10 8 A X 0 0 116 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 161.1 4.6 6.0 31.7 11 9 A E 0 0 156 -3,-2.6 -3,-2.5 0, 0.0 0, 0.0 -0.806 360.0 360.0-112.6 158.8 5.0 2.5 30.4 12 10 A F 0 0 192 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.996 360.0 360.0-136.6 360.0 8.1 0.6 29.4 13 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 14 12 A X 0 0 226 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 145.2 11.7 -8.2 18.8 15 13 A K 0 0 61 -13,-2.6 -13,-2.0 0, 0.0 0, 0.0 -0.920 360.0 360.0-140.3 360.0 9.8 -7.3 15.7 16 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 17 0 B X 0 0 180 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.3 0.7 14.4 25.7 18 1 B S - 0 0 30 13,-2.4 13,-2.0 2,-0.0 2,-0.2 -0.995 360.0-103.4-151.3 156.3 3.7 12.3 26.7 19 2 B V - 0 0 37 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.569 38.3-168.2 -73.2 136.6 7.5 11.8 26.4 20 3 B Q - 0 0 60 -12,-0.2 2,-0.4 -2,-0.2 -12,-0.2 -0.997 9.0-179.9-134.5 126.8 8.3 8.9 24.0 21 4 B I E -A 7 0A 74 -14,-2.4 -14,-2.6 -2,-0.4 2,-0.4 -0.999 7.7-168.0-130.7 128.6 11.8 7.3 23.7 22 5 B V E -A 6 0A 47 -2,-0.4 2,-0.5 -16,-0.2 -16,-0.2 -0.959 15.1-169.3-124.4 137.9 12.5 4.5 21.3 23 6 B Y E A 5 0A 101 -18,-2.6 -18,-2.6 -2,-0.4 5,-0.2 -0.997 360.0 360.0-118.2 117.7 15.5 2.2 20.9 24 7 B K 0 0 111 3,-2.6 3,-2.6 -2,-0.5 -20,-0.2 -0.922 360.0 360.0-132.9 360.0 15.2 0.2 17.6 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 8 B X 0 0 95 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 0.000 360.0 360.0 360.0 156.1 20.2 0.3 16.4 27 9 B E 0 0 152 -3,-2.6 -3,-2.6 0, 0.0 0, 0.0 -0.791 360.0 360.0-114.3 156.6 19.0 3.8 16.7 28 10 B F 0 0 186 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.998 360.0 360.0-135.0 360.0 17.9 5.8 19.8 29 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 30 12 B X 0 0 222 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 163.2 7.2 14.6 23.2 31 13 B K 0 0 130 -13,-2.0 -13,-2.4 0, 0.0 0, 0.0 -0.991 360.0 360.0-169.9 360.0 3.8 14.4 21.5 32 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 33 0 C X 0 0 166 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.9 6.4 16.6 -11.8 34 1 C S - 0 0 40 13,-2.8 13,-2.7 2,-0.0 2,-0.1 -0.939 360.0 -93.0-137.0 158.9 4.0 14.2 -10.1 35 2 C V - 0 0 34 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.406 38.8-172.0 -64.6 138.2 2.6 13.3 -6.7 36 3 C Q - 0 0 69 20,-0.2 2,-0.4 -2,-0.1 20,-0.2 -0.966 7.5-179.5-138.9 120.4 4.5 10.4 -4.9 37 4 C I E -B 55 0B 74 18,-2.5 18,-2.5 -2,-0.4 2,-0.4 -0.984 9.3-169.8-122.5 125.8 3.3 8.8 -1.6 38 5 C V E -B 54 0B 49 -2,-0.4 2,-0.5 16,-0.2 16,-0.2 -0.961 15.8-171.1-121.6 137.7 5.4 6.0 -0.0 39 6 C Y E B 53 0B 100 14,-2.6 14,-2.8 -2,-0.4 5,-0.2 -0.998 360.0 360.0-119.0 121.7 4.7 3.6 2.8 40 7 C K 0 0 121 3,-2.3 3,-2.9 -2,-0.5 12,-0.2 -0.941 360.0 360.0-133.1 360.0 7.8 1.7 3.8 41 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 42 8 C X 0 0 104 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 170.1 7.1 1.7 9.1 43 9 C E 0 0 162 -3,-2.9 -3,-2.3 0, 0.0 0, 0.0 -0.647 360.0 360.0-120.1 156.4 7.2 5.3 7.7 44 10 C F 0 0 187 -5,-0.2 -5,-0.2 -2,-0.2 -7,-0.0 -0.989 360.0 360.0-135.7 360.0 4.7 7.2 5.5 45 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 46 12 C X 0 0 217 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 130.8 5.7 16.0 -5.6 47 13 C K 0 0 139 -13,-2.7 -13,-2.8 0, 0.0 0, 0.0 -0.992 360.0 360.0-110.4 360.0 8.8 14.6 -7.6 48 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 0 D X 0 0 171 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.3 13.1 -6.7 4.9 50 1 D S - 0 0 32 13,-2.9 13,-2.5 -8,-0.0 2,-0.3 -0.973 360.0 -92.8-149.6 164.8 9.8 -4.6 4.8 51 2 D V - 0 0 38 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.566 38.7-169.0 -71.2 133.5 6.5 -3.9 3.0 52 3 D Q - 0 0 92 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.999 7.2-179.6-130.7 124.9 6.8 -1.1 0.5 53 4 D I E -B 39 0B 73 -14,-2.8 -14,-2.6 -2,-0.4 2,-0.4 -0.999 7.3-170.3-127.5 127.0 3.7 0.5 -1.1 54 5 D V E -B 38 0B 52 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.970 15.6-170.2-123.1 140.0 4.0 3.3 -3.6 55 6 D Y E B 37 0B 102 -18,-2.5 -18,-2.5 -2,-0.4 5,-0.2 -0.997 360.0 360.0-121.6 122.0 1.5 5.7 -5.2 56 7 D K 0 0 102 3,-2.5 3,-2.4 -2,-0.4 -20,-0.2 -0.921 360.0 360.0-135.6 360.0 3.0 7.7 -8.1 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 8 D X 0 0 103 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 0.000 360.0 360.0 360.0 149.7 -1.0 7.5 -11.2 59 9 D E 0 0 160 -3,-2.4 -3,-2.5 0, 0.0 0, 0.0 -0.850 360.0 360.0-101.5 156.3 0.0 4.0 -10.5 60 10 D F 0 0 189 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.997 360.0 360.0-136.8 360.0 -0.2 2.0 -7.2 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 12 D X 0 0 224 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 141.0 8.2 -6.7 0.2 63 13 D K 0 0 52 -13,-2.5 -13,-2.9 0, 0.0 0, 0.0 -0.993 360.0 360.0-135.9 360.0 11.8 -5.7 -0.2