==== 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 3Q9H . COMPND 2 MOLECULE: CYCLIC PSEUDO-PEPTIDE LVFFA(ORN)(HAO)LK(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) . 5978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 43.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 8.3 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 . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 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 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 . 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 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 L 0 0 32 0, 0.0 9,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 125.4 2.1 -0.6 16.6 2 2 A V E +A 17 0A 19 15,-3.5 15,-2.1 10,-0.5 2,-0.3 -0.815 360.0 179.0 -90.3 129.1 -0.2 2.4 17.2 3 3 A F E +A 16 0A 7 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.988 16.6 167.6-140.1 149.2 2.0 5.6 17.6 4 4 A F E A 15 0A 34 11,-2.0 11,-3.4 -2,-0.3 52,-0.0 -0.939 360.0 360.0-159.6 136.4 1.5 9.3 18.2 5 5 A A 0 0 4 -2,-0.3 25,-0.1 9,-0.2 -2,-0.0 -0.978 360.0 360.0-155.0 360.0 3.8 12.3 19.1 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 97 0, 0.0 24,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 360.0 1.6 16.4 16.6 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 L 0 0 122 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 133.4 -0.0 2.6 12.5 10 9 A K 0 0 106 -9,-2.0 0, 0.0 17,-0.0 0, 0.0 -0.917 360.0 360.0-130.9 360.0 2.8 0.3 11.4 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 0 138 0, 0.0 -10,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 360.0 0.8 -3.6 14.7 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 L 0 0 0 0, 0.0 9,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 128.6 5.9 9.1 22.0 15 2 B V E +A 4 0A 4 -11,-3.4 -11,-2.0 10,-0.5 2,-0.3 -0.813 360.0 175.9 -91.2 128.0 2.4 7.7 22.9 16 3 B F E -A 3 0A 62 -2,-0.5 2,-0.3 -13,-0.2 -13,-0.2 -0.976 27.5-176.9-137.5 157.3 2.3 4.0 21.9 17 4 B F E A 2 0A 62 -15,-2.1 -15,-3.5 -2,-0.3 -2,-0.0 -0.940 360.0 360.0-150.3 122.1 0.1 0.9 21.9 18 5 B A 0 0 53 -2,-0.3 -2,-0.0 -17,-0.2 -15,-0.0 -0.988 360.0 360.0-126.1 360.0 1.1 -2.5 20.6 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 0 184 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -1.4 -5.9 24.2 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 L 0 0 52 0, 0.0 -7,-0.2 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 129.0 4.7 6.6 27.0 23 9 B K 0 0 95 -9,-2.5 -8,-0.0 13,-0.0 0, 0.0 -0.835 360.0 360.0-124.2 360.0 8.4 7.0 25.8 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 0 134 0, 0.0 -10,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 360.0 7.3 11.8 24.2 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 L 0 0 7 0, 0.0 9,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 129.5 10.3 3.3 15.1 28 2 C V E -B 43 0B 20 15,-3.4 15,-1.8 10,-0.5 2,-0.4 -0.833 360.0-176.1 -92.7 127.8 12.4 6.5 14.9 29 3 C F E +B 42 0B 34 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.989 16.3 167.7-133.0 144.5 10.3 9.4 16.0 30 4 C F E B 41 0B 37 11,-2.1 11,-3.2 -2,-0.4 -25,-0.1 -0.951 360.0 360.0-152.6 132.6 10.8 13.2 16.1 31 5 C A 0 0 25 -2,-0.3 -2,-0.0 9,-0.2 62,-0.0 -0.971 360.0 360.0-152.2 360.0 8.3 16.0 16.7 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 0 155 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 10.9 19.6 19.4 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 L 0 0 111 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 136.8 13.6 5.4 19.3 36 9 C K 0 0 60 -9,-2.5 -13,-0.0 0, 0.0 -8,-0.0 -0.796 360.0 360.0-133.2 360.0 10.9 2.8 20.1 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 0 132 0, 0.0 -10,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 360.0 12.2 0.1 15.9 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 L 0 0 5 0, 0.0 9,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 134.0 5.4 13.8 13.6 41 2 D V E +B 30 0B 4 -11,-3.2 -11,-2.1 10,-0.4 2,-0.3 -0.934 360.0 170.1-103.4 125.2 8.5 12.9 11.5 42 3 D F E -B 29 0B 58 -2,-0.5 2,-0.3 -13,-0.2 -13,-0.2 -0.958 27.3-171.5-138.3 161.0 8.9 9.1 11.6 43 4 D F E B 28 0B 62 -15,-1.8 -15,-3.4 -2,-0.3 -2,-0.0 -0.957 360.0 360.0-150.0 129.0 10.9 6.2 10.1 44 5 D A 0 0 12 -2,-0.3 -2,-0.0 -17,-0.2 -15,-0.0 -0.983 360.0 360.0-144.2 360.0 10.2 2.5 10.6 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 0 170 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 11.4 0.3 6.0 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 L 0 0 54 0, 0.0 -7,-0.2 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 124.1 5.4 13.1 8.0 49 9 D K 0 0 108 -9,-3.0 -8,-0.0 0, 0.0 0, 0.0 -0.841 360.0 360.0-126.9 360.0 2.2 12.8 10.0 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 0 118 0, 0.0 -10,-0.4 0, 0.0 -21,-0.0 0.000 360.0 360.0 360.0 360.0 3.6 17.0 12.7 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 L 0 0 114 0, 0.0 9,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.7 -4.8 14.9 27.0 54 2 E V E +c 68 0C 11 13,-2.6 15,-1.3 10,-0.4 2,-0.4 -0.996 360.0 170.4-122.1 127.4 -3.5 12.8 24.1 55 3 E F E +c 69 0C 135 -2,-0.4 2,-0.2 13,-0.2 15,-0.2 -0.995 13.2 162.5-140.8 133.6 -5.9 10.6 22.1 56 4 E F 0 0 85 13,-1.8 -2,-0.0 -2,-0.4 -54,-0.0 -0.741 360.0 360.0-150.7 91.9 -5.3 8.6 18.9 57 5 E A 0 0 16 13,-0.2 -2,-0.0 -2,-0.2 12,-0.0 -0.984 360.0 360.0-162.1 360.0 -8.0 5.9 18.3 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 0 218 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -10.8 7.4 14.3 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 L 0 0 111 0, 0.0 -7,-0.2 0, 0.0 -56,-0.0 0.000 360.0 360.0 360.0 131.6 -2.9 16.6 21.8 62 9 E K 0 0 176 -9,-2.8 0, 0.0 0, 0.0 0, 0.0 -0.866 360.0 360.0-143.5 360.0 -4.7 19.1 23.9 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 3,-2.6 0, 0.0 -10,-0.4 0.000 360.0 360.0 360.0 360.0 -2.7 17.6 28.7 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 L 0 0 38 0, 0.0 9,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 123.0 -0.2 13.7 30.6 67 2 F V - 0 0 73 -3,-2.6 -13,-2.6 10,-0.6 2,-0.3 -0.920 360.0-174.7-102.4 122.2 -3.3 11.5 30.2 68 3 F F E +c 54 0C 62 -2,-0.5 2,-0.3 -15,-0.2 -13,-0.2 -0.925 22.6 172.4-128.7 152.6 -3.0 9.3 27.1 69 4 F F E c 55 0C 99 -15,-1.3 -13,-1.8 -2,-0.3 -52,-0.1 -0.933 360.0 360.0-155.8 125.5 -5.0 6.7 25.1 70 5 F A 0 0 6 -2,-0.3 -13,-0.2 -15,-0.2 -68,-0.1 -0.991 360.0 360.0-143.0 360.0 -4.0 5.1 21.8 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 98 0, 0.0 -15,-0.1 0, 0.0 -55,-0.0 0.000 360.0 360.0 360.0 360.0 -6.3 0.4 22.3 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 L 0 0 145 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 153.5 -1.1 8.7 32.6 75 9 F K 0 0 149 -9,-2.1 0, 0.0 0, 0.0 0, 0.0 -0.823 360.0 360.0-149.4 360.0 2.2 10.3 33.6 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 0 151 0, 0.0 -10,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.4 15.2 34.0 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 L 0 0 38 0, 0.0 9,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 126.8 9.3 20.9 5.3 80 2 G V - 0 0 72 23,-2.4 13,-2.6 10,-0.6 2,-0.3 -0.922 360.0-174.4-104.5 122.6 12.4 18.8 4.3 81 3 G F E +d 93 0D 65 -2,-0.5 2,-0.3 11,-0.2 13,-0.2 -0.947 22.0 172.7-128.1 150.4 12.7 15.8 6.6 82 4 G F E d 94 0D 101 11,-1.3 13,-2.2 -2,-0.3 -39,-0.1 -0.914 360.0 360.0-153.6 120.6 15.1 12.9 7.3 83 5 G A 0 0 6 -2,-0.3 13,-0.2 11,-0.2 -55,-0.1 -0.999 360.0 360.0-135.5 360.0 14.9 10.5 10.3 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 98 0, 0.0 11,-0.1 0, 0.0 -42,-0.0 0.000 360.0 360.0 360.0 360.0 16.9 6.2 7.9 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 L 0 0 144 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 151.8 9.4 16.7 1.8 88 9 G K 0 0 157 -9,-2.4 0, 0.0 0, 0.0 0, 0.0 -0.848 360.0 360.0-147.6 360.0 6.1 18.4 2.2 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 0 147 0, 0.0 -10,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 7.9 23.3 2.7 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 L 0 0 112 0, 0.0 9,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 135.5 14.6 21.3 7.8 93 2 H V E +d 81 0D 11 -13,-2.6 -11,-1.3 10,-0.4 2,-0.4 -0.999 360.0 172.0-123.7 129.1 14.1 18.4 10.2 94 3 H F E +d 82 0D 131 -2,-0.4 2,-0.2 -13,-0.2 -11,-0.2 -0.996 13.1 163.9-140.0 133.6 16.8 15.9 10.8 95 4 H F 0 0 87 -13,-2.2 -2,-0.0 -2,-0.4 -67,-0.0 -0.742 360.0 360.0-147.8 93.0 17.0 13.1 13.4 96 5 H A 0 0 15 -13,-0.2 -2,-0.0 -2,-0.2 -14,-0.0 -0.986 360.0 360.0-164.8 360.0 19.7 10.5 12.6 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 0 217 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 23.5 10.9 16.0 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 L 0 0 112 0, 0.0 -7,-0.2 0, 0.0 -69,-0.0 0.000 360.0 360.0 360.0 126.4 14.3 21.4 13.5 101 9 H K 0 0 175 -9,-2.9 0, 0.0 0, 0.0 0, 0.0 -0.890 360.0 360.0-137.5 360.0 15.5 24.6 11.8 102 ! 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 0 116 0, 0.0 -23,-2.4 0, 0.0 -10,-0.4 0.000 360.0 360.0 360.0 360.0 12.3 24.4 7.4