==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN FIBRIL 07-JAN-11 3Q9J . COMPND 2 MOLECULE: CYCLIC PSEUDO-PEPTIDE AIIFL(ORN)(HAO)YK(ORN); . SOURCE 2 SYNTHETIC: YES . AUTHOR C.LIU,M.R.SAWAYA,D.EISENBERG,J.S.NOWICK,P.CHENG,J.ZHENG . 72 32 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 22.2 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 11.1 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 . 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+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 . 4 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 A 0 0 10 0, 0.0 9,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 159.6 -0.5 9.8 17.0 2 2 A I - 0 0 78 10,-0.3 2,-0.4 7,-0.2 0, 0.0 -0.823 360.0-175.8 -91.9 125.7 -0.3 6.1 16.3 3 3 A I - 0 0 33 -2,-0.5 2,-0.4 15,-0.2 15,-0.2 -0.988 22.8-169.3-132.8 139.9 2.3 5.4 13.5 4 4 A F B A 17 0A 20 13,-2.6 13,-2.5 -2,-0.4 -2,-0.0 -0.994 360.0 360.0-126.9 116.5 3.5 2.4 11.5 5 5 A L 0 0 35 -2,-0.4 11,-0.2 11,-0.2 -2,-0.0 -0.991 360.0 360.0-129.6 360.0 6.6 2.9 9.5 6 ! 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 7 6 A X 0 0 121 0, 0.0 9,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 360.0 8.5 -2.0 9.5 8 ! 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 9 8 A Y 0 0 196 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 122.0 2.3 5.6 19.8 10 9 A K 0 0 127 -9,-2.6 0, 0.0 23,-0.0 0, 0.0 -0.983 360.0 360.0-129.1 360.0 4.5 8.7 19.6 11 ! 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 12 10 A X 0 0 104 0, 0.0 -10,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 360.0 0.5 12.3 19.6 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 1 B A 0 0 9 0, 0.0 9,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 158.6 8.6 4.5 2.9 15 2 B I - 0 0 76 10,-0.3 2,-0.4 7,-0.2 0, 0.0 -0.817 360.0-176.3 -90.6 125.8 5.4 2.8 3.6 16 3 B I - 0 0 33 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.991 24.1-170.6-133.6 139.4 3.5 4.6 6.4 17 4 B F B A 4 0A 21 -13,-2.5 -13,-2.6 -2,-0.4 -2,-0.0 -0.993 360.0 360.0-126.9 117.1 0.3 4.2 8.4 18 5 B L 0 0 35 -2,-0.4 -15,-0.2 -15,-0.2 -2,-0.0 -0.991 360.0 360.0-130.2 360.0 -0.7 7.1 10.5 19 ! 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 20 6 B X 0 0 118 0, 0.0 -17,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 360.0 -5.9 6.4 10.5 21 ! 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 22 8 B Y 0 0 194 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 121.7 3.6 4.8 0.1 23 9 B K 0 0 123 -9,-2.6 0, 0.0 23,-0.0 0, 0.0 -0.981 360.0 360.0-129.2 360.0 5.1 8.3 0.4 24 ! 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 25 10 B X 0 0 104 0, 0.0 -10,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 10.2 6.7 0.4 26 !* 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 27 1 C A 0 0 6 0, 0.0 9,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 159.9 12.6 8.0 4.5 28 2 C I - 0 0 79 10,-0.3 2,-0.4 7,-0.2 0, 0.0 -0.818 360.0-173.9 -91.5 126.4 13.3 11.1 6.5 29 3 C I - 0 0 21 -2,-0.5 2,-0.4 15,-0.2 15,-0.2 -0.993 21.2-178.2-132.1 136.9 10.7 11.5 9.3 30 4 C F B B 43 0B 133 13,-2.1 13,-2.2 -2,-0.4 -2,-0.0 -0.996 360.0 360.0-130.6 119.2 9.9 14.2 11.9 31 5 C L 0 0 30 -2,-0.4 11,-0.2 11,-0.2 -2,-0.0 -0.995 360.0 360.0-130.9 360.0 7.0 13.4 14.2 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 6 C X 0 0 179 0, 0.0 9,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 360.0 8.7 16.2 18.4 34 ! 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 35 8 C Y 0 0 193 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 120.8 16.3 8.8 8.8 36 9 C K 0 0 116 -9,-2.6 0, 0.0 0, 0.0 0, 0.0 -0.983 360.0 360.0-128.6 360.0 14.5 5.4 9.2 37 ! 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 38 10 C X 0 0 111 0, 0.0 -10,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 13.7 4.6 4.0 39 !* 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 40 1 D A 0 0 7 0, 0.0 9,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.0 0.6 14.9 15.5 41 2 D I - 0 0 78 10,-0.3 2,-0.4 7,-0.2 0, 0.0 -0.818 360.0-173.8 -92.3 126.9 2.9 17.0 13.4 42 3 D I - 0 0 21 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.993 21.2-177.2-131.7 137.3 4.6 15.0 10.7 43 4 D F B B 30 0B 131 -13,-2.2 -13,-2.1 -2,-0.4 -2,-0.0 -0.997 360.0 360.0-129.0 119.5 7.3 15.7 8.0 44 5 D L 0 0 32 -2,-0.4 -15,-0.2 -15,-0.2 -2,-0.0 -0.995 360.0 360.0-130.5 360.0 8.1 12.9 5.7 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 6 D X 0 0 181 0, 0.0 -17,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 360.0 9.6 15.7 1.5 47 ! 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 48 8 D Y 0 0 195 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 121.0 -0.6 18.4 11.1 49 9 D K 0 0 112 -9,-2.6 0, 0.0 0, 0.0 0, 0.0 -0.981 360.0 360.0-129.5 360.0 -2.6 15.1 10.8 50 ! 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 51 10 D X 0 0 109 0, 0.0 -10,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -2.9 14.0 16.0 52 !* 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 53 1 E A 0 0 6 0, 0.0 9,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 159.9 -12.5 -8.1 4.4 54 2 E I - 0 0 91 10,-0.3 2,-0.4 7,-0.2 0, 0.0 -0.816 360.0-174.2 -92.7 126.9 -13.2 -11.1 6.5 55 3 E I - 0 0 30 -2,-0.5 2,-0.4 15,-0.2 15,-0.2 -0.995 21.2-177.5-133.0 136.7 -10.6 -11.5 9.2 56 4 E F B C 69 0C 105 13,-2.1 13,-2.2 -2,-0.4 -2,-0.0 -0.996 360.0 360.0-129.9 119.1 -9.9 -14.2 11.9 57 5 E L 0 0 29 -2,-0.4 11,-0.2 11,-0.2 -2,-0.0 -0.995 360.0 360.0-130.7 360.0 -7.0 -13.4 14.2 58 ! 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 59 6 E X 0 0 145 0, 0.0 9,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 360.0 -8.7 -16.1 18.4 60 ! 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 61 8 E Y 0 0 191 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 121.0 -16.2 -8.8 8.8 62 9 E K 0 0 115 -9,-2.6 0, 0.0 0, 0.0 0, 0.0 -0.980 360.0 360.0-128.6 360.0 -14.4 -5.4 9.1 63 ! 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 64 10 E X 0 0 110 0, 0.0 -10,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -13.6 -4.6 3.8 65 !* 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 66 1 F A 0 0 6 0, 0.0 9,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 160.4 -0.6 -14.9 15.4 67 2 F I - 0 0 90 10,-0.3 2,-0.4 7,-0.2 0, 0.0 -0.825 360.0-174.0 -92.0 126.4 -2.9 -17.1 13.4 68 3 F I - 0 0 29 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.994 21.9-177.1-132.4 136.7 -4.6 -15.0 10.6 69 4 F F B C 56 0C 102 -13,-2.2 -13,-2.1 -2,-0.4 -2,-0.0 -0.996 360.0 360.0-128.9 118.4 -7.3 -15.7 8.0 70 5 F L 0 0 30 -2,-0.4 -15,-0.2 -15,-0.2 -2,-0.0 -0.995 360.0 360.0-130.3 360.0 -8.1 -12.9 5.7 71 ! 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 72 6 F X 0 0 146 0, 0.0 -17,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 360.0 -9.5 -15.7 1.5 73 ! 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 74 8 F Y 0 0 194 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 120.2 0.6 -18.5 11.1 75 9 F K 0 0 117 -9,-2.6 0, 0.0 0, 0.0 0, 0.0 -0.981 360.0 360.0-128.8 360.0 2.6 -15.2 10.7 76 ! 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 77 10 F X 0 0 110 0, 0.0 -10,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 2.9 -14.1 15.9 78 !* 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 79 1 G A 0 0 10 0, 0.0 9,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 158.3 0.5 -9.8 17.0 80 2 G I - 0 0 83 10,-0.3 2,-0.4 7,-0.2 0, 0.0 -0.825 360.0-176.6 -91.8 125.8 0.3 -6.1 16.2 81 3 G I - 0 0 29 -2,-0.5 2,-0.4 15,-0.2 15,-0.2 -0.985 23.4-169.7-132.7 140.9 -2.2 -5.4 13.5 82 4 G F B D 95 0D 44 13,-2.6 13,-2.6 -2,-0.4 -2,-0.0 -0.993 360.0 360.0-127.6 117.3 -3.5 -2.4 11.5 83 5 G L 0 0 33 -2,-0.4 11,-0.2 11,-0.2 -2,-0.0 -0.992 360.0 360.0-130.5 360.0 -6.6 -2.9 9.4 84 ! 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 85 6 G X 0 0 122 0, 0.0 9,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 360.0 -8.5 1.9 9.6 86 ! 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 87 8 G Y 0 0 194 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 121.0 -2.3 -5.5 19.8 88 9 G K 0 0 125 -9,-2.6 0, 0.0 -29,-0.0 0, 0.0 -0.980 360.0 360.0-128.0 360.0 -4.5 -8.7 19.5 89 ! 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 90 10 G X 0 0 106 0, 0.0 -10,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -0.5 -12.3 19.6 91 !* 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 92 1 H A 0 0 10 0, 0.0 9,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 160.7 -8.7 -4.5 2.9 93 2 H I - 0 0 83 10,-0.3 2,-0.4 7,-0.2 0, 0.0 -0.818 360.0-175.8 -92.4 126.9 -5.4 -2.8 3.6 94 3 H I - 0 0 29 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.988 23.9-170.3-133.9 140.0 -3.5 -4.6 6.3 95 4 H F B D 82 0D 42 -13,-2.6 -13,-2.6 -2,-0.4 -2,-0.0 -0.993 360.0 360.0-127.0 117.3 -0.3 -4.1 8.4 96 5 H L 0 0 34 -2,-0.4 -15,-0.2 -15,-0.2 -2,-0.0 -0.990 360.0 360.0-129.3 360.0 0.7 -7.1 10.5 97 ! 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 98 6 H X 0 0 122 0, 0.0 -17,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 360.0 5.9 -6.4 10.4 99 ! 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 0.0 100 8 H Y 0 0 192 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 121.0 -3.6 -4.8 0.1 101 9 H K 0 0 125 -9,-2.6 0, 0.0 -29,-0.0 0, 0.0 -0.981 360.0 360.0-129.0 360.0 -5.2 -8.3 0.4 102 ! 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 0.0 103 10 H X 0 0 102 0, 0.0 -10,-0.3 0, 0.0 -33,-0.0 0.000 360.0 360.0 360.0 360.0 -10.3 -6.7 0.4