==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN FIBRIL 04-MAR-12 4E0M . 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) . 5383.0 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 0 148 0, 0.0 2,-0.3 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 147.2 -20.1 -32.7 -12.9 2 1 A S - 0 0 30 13,-2.4 13,-1.7 24,-0.0 2,-0.2 -0.981 360.0 -57.9-164.5 172.8 -17.6 -32.0 -10.3 3 2 A V - 0 0 75 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.449 49.0-167.2 -66.1 131.6 -16.7 -31.4 -6.6 4 3 A Q - 0 0 81 20,-0.2 2,-0.4 -2,-0.2 20,-0.2 -0.990 8.7-175.6-124.7 137.3 -18.6 -28.4 -5.1 5 4 A I E -A 23 0A 77 18,-2.7 18,-2.8 -2,-0.4 2,-0.4 -0.999 7.0-167.7-132.8 129.0 -17.9 -26.7 -1.8 6 5 A V E -A 22 0A 52 -2,-0.4 2,-0.4 16,-0.2 16,-0.2 -0.925 12.9-166.2-122.4 146.5 -20.0 -23.9 -0.4 7 6 A Y E A 21 0A 99 14,-2.6 14,-2.5 -2,-0.4 5,-0.2 -0.999 360.0 360.0-124.5 123.4 -19.5 -21.5 2.5 8 7 A K 0 0 111 3,-2.6 3,-3.0 -2,-0.4 12,-0.2 -0.832 360.0 360.0-141.4 360.0 -22.6 -19.6 3.6 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 0 115 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 147.8 -21.8 -20.1 8.6 11 9 A E 0 0 59 -3,-3.0 -3,-2.6 0, 0.0 0, 0.0 -0.577 360.0 360.0 -72.9 149.0 -22.6 -23.3 6.8 12 10 A F 0 0 192 -2,-0.2 -5,-0.2 -5,-0.2 -7,-0.0 -0.952 360.0 360.0-149.6 360.0 -19.7 -25.1 5.1 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 0 210 0, 0.0 -11,-0.2 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 126.8 -20.2 -33.9 -6.1 15 13 A K 0 0 41 -13,-1.7 -13,-2.4 0, 0.0 0, 0.0 -0.971 360.0 360.0-143.3 360.0 -23.0 -32.7 -8.6 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 0 150 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.2 -27.3 -10.9 5.0 18 1 B S - 0 0 35 13,-2.6 13,-2.3 2,-0.0 2,-0.3 -0.954 360.0-108.5-142.1 154.0 -24.3 -13.4 4.7 19 2 B V - 0 0 71 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.610 36.9-164.5 -79.3 130.9 -21.0 -13.9 2.9 20 3 B Q + 0 0 68 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.991 10.5 179.4-125.6 124.7 -21.3 -16.7 0.3 21 4 B I E -A 7 0A 70 -14,-2.5 -14,-2.6 -2,-0.4 2,-0.4 -0.987 5.3-170.8-127.2 131.6 -18.3 -18.4 -1.3 22 5 B V E -A 6 0A 75 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.985 9.8-173.2-126.6 136.8 -18.6 -21.2 -3.9 23 6 B Y E A 5 0A 101 -18,-2.8 -18,-2.7 -2,-0.4 5,-0.2 -0.992 360.0 360.0-122.8 127.7 -16.0 -23.5 -5.4 24 7 B K 0 0 73 3,-2.6 3,-2.3 -2,-0.4 -20,-0.2 -0.919 360.0 360.0-141.7 360.0 -17.1 -25.8 -8.2 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 59 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 0.000 360.0 360.0 360.0 153.3 -12.9 -25.5 -11.2 27 9 B E 0 0 145 -3,-2.3 -3,-2.6 16,-0.0 16,-0.1 -0.850 360.0 360.0-116.6 157.8 -14.0 -22.0 -10.6 28 10 B F 0 0 181 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.985 360.0 360.0-134.2 360.0 -14.2 -19.9 -7.4 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 0 209 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 128.5 -22.5 -10.9 0.1 31 13 B K 0 0 147 -13,-2.3 -13,-2.6 0, 0.0 0, 0.0 -0.976 360.0 360.0-126.1 360.0 -26.2 -11.6 -0.2 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 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.3 12.8 -11.0 -19.0 34 1 C S - 0 0 36 13,-1.9 13,-1.9 24,-0.0 2,-0.3 -0.868 360.0-109.8-137.0 156.8 10.1 -12.8 -20.5 35 2 C V - 0 0 72 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.651 45.4-175.3 -77.1 133.0 6.3 -12.9 -21.1 36 3 C Q - 0 0 89 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.998 17.3-172.9-140.7 135.4 5.0 -15.9 -19.0 37 4 C I E -B 55 0B 78 18,-2.2 18,-2.6 -2,-0.4 2,-0.4 -0.998 10.6-164.3-130.3 124.3 1.6 -17.4 -18.8 38 5 C V E -B 54 0B 47 -2,-0.4 2,-0.4 16,-0.2 16,-0.2 -0.952 9.7-172.5-115.8 136.0 0.9 -20.1 -16.2 39 6 C Y E B 53 0B 101 14,-2.6 14,-2.5 -2,-0.4 5,-0.2 -0.992 360.0 360.0-122.2 122.4 -2.1 -22.6 -16.0 40 7 C K 0 0 77 3,-2.7 3,-2.9 -2,-0.4 12,-0.2 -0.797 360.0 360.0-138.2 360.0 -2.3 -24.7 -12.9 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 75 0, 0.0 2,-0.2 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 147.9 -7.4 -24.0 -12.2 43 9 C E 0 0 123 -3,-2.9 -3,-2.7 -16,-0.1 -16,-0.0 -0.602 360.0 360.0 -79.6 148.3 -5.4 -20.9 -11.8 44 10 C F 0 0 187 -2,-0.2 -5,-0.2 -5,-0.2 -7,-0.0 -0.958 360.0 360.0-143.1 360.0 -4.5 -18.9 -14.9 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 0 211 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 135.3 6.2 -9.9 -17.9 47 13 C K 0 0 167 -13,-1.9 -13,-1.9 0, 0.0 0, 0.0 -0.989 360.0 360.0-145.2 360.0 9.0 -10.1 -15.7 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 0 154 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.5 -2.0 -32.5 -7.7 50 1 D S - 0 0 33 13,-2.0 13,-2.1 -8,-0.0 2,-0.4 -0.987 360.0 -90.7-156.0 160.5 -3.0 -30.7 -11.0 51 2 D V - 0 0 74 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.654 44.8-165.5 -77.4 129.1 -2.1 -30.3 -14.7 52 3 D Q - 0 0 78 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.985 10.3-178.6-123.5 131.8 0.3 -27.4 -15.0 53 4 D I E -B 39 0B 70 -14,-2.5 -14,-2.6 -2,-0.4 2,-0.4 -0.990 5.2-168.8-131.1 132.3 1.2 -25.8 -18.3 54 5 D V E -B 38 0B 59 -2,-0.4 2,-0.5 -16,-0.2 -16,-0.2 -0.989 11.1-167.6-126.9 135.1 3.7 -22.9 -18.7 55 6 D Y E B 37 0B 97 -18,-2.6 -18,-2.2 -2,-0.4 5,-0.2 -0.988 360.0 360.0-112.8 125.6 4.4 -20.7 -21.7 56 7 D K 0 0 111 3,-2.6 3,-2.4 -2,-0.5 -20,-0.2 -0.886 360.0 360.0-139.9 360.0 7.7 -18.7 -21.2 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 0 121 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 0.000 360.0 360.0 360.0 152.0 9.4 -18.8 -26.1 59 9 D E 0 0 70 -3,-2.4 -3,-2.6 0, 0.0 0, 0.0 -0.846 360.0 360.0-112.4 155.1 8.9 -22.4 -24.9 60 10 D F 0 0 186 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.998 360.0 360.0-135.4 360.0 5.7 -24.2 -24.0 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 0 211 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 134.6 1.0 -33.1 -13.8 63 13 D K 0 0 50 -13,-2.1 -13,-2.0 0, 0.0 0, 0.0 -0.998 360.0 360.0-143.4 360.0 2.4 -32.2 -10.4