==== 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 4E0N . COMPND 2 MOLECULE: CYCLIC PSEUDO-PEPTIDE SVQIVYK(ORN)EF(HAO)(4BF)K(O . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.ZHAO,C.LIU,S.R.MICHAEL,D.EISENBERG . 52 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5729.0 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 0 188 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.9 4.0 19.9 5.3 2 1 A S - 0 0 30 13,-2.5 13,-2.4 2,-0.0 2,-0.2 -0.980 360.0 -67.6-165.7 171.9 7.7 18.6 5.4 3 2 A V - 0 0 37 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.510 47.1-172.3 -70.1 131.1 10.9 17.9 3.6 4 3 A Q - 0 0 88 -2,-0.2 2,-0.4 20,-0.2 20,-0.2 -0.996 7.9-178.8-130.3 127.2 10.6 15.0 1.1 5 4 A I E -A 23 0A 73 18,-2.6 18,-2.7 -2,-0.4 2,-0.4 -0.998 8.6-168.8-129.5 127.2 13.5 13.4 -0.7 6 5 A V E -A 22 0A 47 -2,-0.4 2,-0.5 16,-0.2 16,-0.2 -0.957 15.4-169.3-122.1 136.6 13.0 10.6 -3.2 7 6 A Y E A 21 0A 100 14,-2.6 14,-2.7 -2,-0.4 5,-0.2 -0.993 360.0 360.0-117.0 122.9 15.4 8.2 -5.0 8 7 A K 0 0 83 3,-2.6 3,-2.6 -2,-0.5 12,-0.2 -0.907 360.0 360.0-139.9 360.0 13.6 6.2 -7.8 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 99 0, 0.0 2,-0.3 0, 0.0 10,-0.1 0.000 360.0 360.0 360.0 150.8 17.2 6.4 -11.4 11 9 A E 0 0 156 -3,-2.6 -3,-2.6 0, 0.0 0, 0.0 -0.868 360.0 360.0-110.1 162.4 16.4 9.9 -10.5 12 10 A F 0 0 189 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.997 360.0 360.0-132.4 360.0 17.0 11.9 -7.2 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 0 234 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 127.4 9.2 20.7 1.0 15 13 A K 0 0 51 -13,-2.4 -13,-2.5 0, 0.0 0, 0.0 -1.000 360.0 360.0-131.9 360.0 5.7 19.6 0.3 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 0 141 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.7 10.0 -2.2 -11.8 18 1 B S - 0 0 34 13,-2.5 13,-1.9 2,-0.0 2,-0.2 -0.989 360.0 -96.1-154.5 159.4 12.5 -0.1 -9.8 19 2 B V - 0 0 72 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.559 38.6-171.0 -72.2 133.5 14.1 0.6 -6.4 20 3 B Q - 0 0 89 -2,-0.2 2,-0.4 -12,-0.2 -12,-0.2 -0.997 7.0-176.7-133.2 127.3 12.3 3.5 -4.6 21 4 B I E -A 7 0A 74 -14,-2.7 -14,-2.6 -2,-0.4 2,-0.4 -0.993 8.4-166.6-125.0 126.9 13.7 5.1 -1.4 22 5 B V E -A 6 0A 56 -2,-0.4 2,-0.5 -16,-0.2 -16,-0.2 -0.971 14.5-171.0-121.9 135.6 11.8 7.9 0.4 23 6 B Y E A 5 0A 98 -18,-2.7 -18,-2.6 -2,-0.4 5,-0.2 -0.992 360.0 360.0-117.3 119.8 12.8 10.3 3.2 24 7 B K 0 0 101 3,-2.6 3,-2.8 -2,-0.5 -20,-0.2 -0.902 360.0 360.0-134.5 360.0 9.8 12.2 4.5 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 0 113 0, 0.0 2,-0.2 0, 0.0 -22,-0.0 0.000 360.0 360.0 360.0 150.6 11.1 12.0 9.5 27 9 B E 0 0 139 -3,-2.8 -3,-2.6 0, 0.0 0, 0.0 -0.546 360.0 360.0 -89.0 154.9 10.5 8.5 8.1 28 10 B F 0 0 190 -5,-0.2 -5,-0.2 -2,-0.2 -7,-0.0 -0.978 360.0 360.0-141.2 360.0 12.9 6.6 5.9 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 0 221 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 147.5 10.9 -2.4 -5.2 31 13 B K 0 0 58 -13,-1.9 -13,-2.5 0, 0.0 0, 0.0 -0.996 360.0 360.0-151.7 360.0 7.8 -1.7 -7.3 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 0 179 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.5 -1.7 -12.9 -9.1 34 1 C S - 0 0 32 13,-2.2 13,-2.5 2,-0.0 2,-0.3 -0.969 360.0 -62.0-169.3 172.8 -3.8 -11.8 -12.2 35 2 C V - 0 0 40 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.527 49.2-172.7 -68.2 131.7 -3.9 -11.1 -15.9 36 3 C Q - 0 0 76 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.997 7.4-179.1-130.7 127.3 -1.5 -8.2 -16.8 37 4 C I E -B 55 0B 72 18,-2.6 18,-2.7 -2,-0.4 2,-0.4 -0.998 8.3-170.0-128.5 126.7 -1.3 -6.6 -20.3 38 5 C V E -B 54 0B 46 -2,-0.4 2,-0.5 16,-0.2 16,-0.2 -0.956 15.5-168.0-122.9 138.6 1.1 -3.8 -21.0 39 6 C Y E B 53 0B 99 14,-2.7 14,-2.6 -2,-0.4 5,-0.2 -0.996 360.0 360.0-118.4 122.0 1.5 -1.4 -24.0 40 7 C K 0 0 121 3,-2.7 3,-2.9 -2,-0.5 12,-0.2 -0.916 360.0 360.0-138.0 360.0 4.8 0.5 -23.9 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 97 0, 0.0 2,-0.3 0, 0.0 10,-0.1 0.000 360.0 360.0 360.0 156.5 6.1 0.5 -28.8 43 9 C E 0 0 155 -3,-2.9 -3,-2.7 0, 0.0 0, 0.0 -0.778 360.0 360.0-114.7 162.3 5.7 -3.1 -27.7 44 10 C F 0 0 187 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.997 360.0 360.0-134.6 360.0 2.7 -5.1 -26.5 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 0 233 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 126.7 -0.6 -13.9 -15.7 47 13 C K 0 0 141 -13,-2.5 -13,-2.2 0, 0.0 0, 0.0 -1.000 360.0 360.0-131.0 360.0 1.6 -12.7 -13.0 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 0 167 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.9 9.8 9.3 -22.5 50 1 D S - 0 0 55 13,-2.5 13,-2.2 2,-0.0 2,-0.2 -0.984 360.0-103.0-146.9 150.7 7.1 6.8 -23.8 51 2 D V - 0 0 38 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.522 37.7-169.8 -72.0 136.2 3.4 6.2 -23.5 52 3 D Q - 0 0 67 -12,-0.2 2,-0.4 -2,-0.2 -12,-0.2 -0.994 8.7-176.4-134.9 128.3 2.6 3.3 -21.2 53 4 D I E -B 39 0B 74 -14,-2.6 -14,-2.7 -2,-0.4 2,-0.4 -0.994 8.8-166.8-126.3 126.1 -0.9 1.7 -20.8 54 5 D V E -B 38 0B 52 -2,-0.4 2,-0.5 -16,-0.2 -16,-0.2 -0.964 14.4-170.9-121.8 135.8 -1.5 -1.1 -18.2 55 6 D Y E B 37 0B 104 -18,-2.7 -18,-2.6 -2,-0.4 5,-0.2 -0.991 360.0 360.0-116.7 119.6 -4.4 -3.5 -17.7 56 7 D K 0 0 124 3,-2.6 3,-3.0 -2,-0.5 -20,-0.2 -0.900 360.0 360.0-134.4 360.0 -4.0 -5.4 -14.5 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 0 117 0, 0.0 2,-0.2 0, 0.0 -22,-0.0 0.000 360.0 360.0 360.0 150.1 -9.1 -5.2 -13.2 59 9 D E 0 0 165 -3,-3.0 -3,-2.6 0, 0.0 0, 0.0 -0.581 360.0 360.0 -90.0 156.5 -7.6 -1.8 -13.3 60 10 D F 0 0 186 -2,-0.2 -5,-0.2 -5,-0.2 -7,-0.0 -0.987 360.0 360.0-133.5 360.0 -6.9 0.2 -16.5 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 0 217 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 125.3 3.9 9.0 -20.2 63 13 D K 0 0 124 -13,-2.2 -13,-2.5 0, 0.0 0, 0.0 -0.990 360.0 360.0 -95.5 360.0 7.0 7.7 -18.4