==== 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 3Q9I . COMPND 2 MOLECULE: CYCLIC PSEUDO-PEPTIDE LV(4BF)FA(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) . 5964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 33.3 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 . 0 0.0 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 28 0, 0.0 9,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.7 2.8 0.1 16.7 2 2 A V E +A 17 0A 25 15,-3.1 15,-1.6 10,-0.5 2,-0.3 -0.864 360.0 176.5 -95.7 131.8 0.3 3.0 17.1 3 3 A X E +A 16 0A 10 -2,-0.4 2,-0.2 13,-0.2 13,-0.2 -0.911 20.1 176.2-155.3 139.0 2.2 6.3 17.8 4 4 A F E A 15 0A 35 11,-1.4 11,-3.4 -2,-0.3 52,-0.1 -0.819 360.0 360.0-140.2 134.7 1.7 9.9 18.3 5 5 A A 0 0 8 -2,-0.2 25,-0.1 9,-0.2 -2,-0.0 -0.959 360.0 360.0-153.9 360.0 4.0 12.8 19.2 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 96 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 1.8 16.9 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 0 120 0, 0.0 -7,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.5 0.4 3.1 12.5 10 9 A K 0 0 105 -9,-2.2 0, 0.0 17,-0.0 0, 0.0 -0.860 360.0 360.0-135.4 360.0 3.2 0.8 11.5 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 0 140 0, 0.0 -10,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 360.0 1.8 -3.1 14.9 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,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.1 6.0 9.7 22.1 15 2 B V E +A 4 0A 3 -11,-3.4 -11,-1.4 10,-0.5 2,-0.3 -0.804 360.0 170.6 -91.5 124.7 2.6 8.3 23.1 16 3 B X E -A 3 0A 82 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.938 29.3-169.0-144.6 152.9 2.4 4.6 21.8 17 4 B F E A 2 0A 68 -15,-1.6 -15,-3.1 -2,-0.3 -2,-0.0 -0.886 360.0 360.0-137.2 132.2 0.4 1.4 21.9 18 5 B A 0 0 53 -2,-0.3 -2,-0.0 -17,-0.2 -15,-0.0 -0.991 360.0 360.0-136.0 360.0 1.6 -2.0 20.7 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 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -0.9 -5.5 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 27 0, 0.0 -7,-0.2 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 130.0 4.9 7.3 27.1 23 9 B K 0 0 98 -9,-2.2 -8,-0.0 13,-0.0 0, 0.0 -0.844 360.0 360.0-126.1 360.0 8.5 7.8 26.2 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 0 138 0, 0.0 -10,-0.5 0, 0.0 -21,-0.0 0.000 360.0 360.0 360.0 360.0 7.3 12.5 24.4 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 L 0 0 5 0, 0.0 9,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 127.4 10.4 4.0 14.8 28 2 C V E +B 43 0B 19 15,-3.2 15,-1.9 10,-0.4 2,-0.3 -0.920 360.0 173.2 -98.4 135.9 12.7 7.0 14.5 29 3 C X E +B 42 0B 37 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.935 23.4 176.9-154.8 143.2 10.7 10.3 15.4 30 4 C F E B 41 0B 40 11,-1.8 11,-3.2 -2,-0.3 -25,-0.1 -0.863 360.0 360.0-142.3 132.1 11.1 14.0 15.9 31 5 C A 0 0 25 -2,-0.3 -2,-0.0 9,-0.2 62,-0.0 -0.993 360.0 360.0-152.9 360.0 8.4 16.5 16.6 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 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 10.9 20.0 19.6 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 0 103 0, 0.0 -7,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.4 13.7 5.9 19.0 36 9 C K 0 0 62 -9,-2.3 -13,-0.0 0, 0.0 -8,-0.0 -0.874 360.0 360.0-132.7 360.0 11.1 3.3 19.8 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 0 139 0, 0.0 -10,-0.4 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 360.0 12.3 0.6 15.4 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 7 0, 0.0 9,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 123.7 5.7 14.4 13.5 41 2 D V E +B 30 0B 3 -11,-3.2 -11,-1.8 10,-0.4 2,-0.3 -0.860 360.0 168.2 -90.8 128.5 8.8 13.6 11.3 42 3 D X E -B 29 0B 88 -2,-0.5 2,-0.3 -13,-0.2 -13,-0.2 -0.948 28.1-171.4-144.0 157.9 9.3 9.8 11.3 43 4 D F E B 28 0B 65 -15,-1.9 -15,-3.2 -2,-0.3 -2,-0.0 -0.902 360.0 360.0-144.8 135.5 11.2 7.0 9.7 44 5 D A 0 0 11 -2,-0.3 -2,-0.0 -17,-0.2 -15,-0.0 -0.984 360.0 360.0-152.4 360.0 10.5 3.2 10.2 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 0 171 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 11.6 1.2 5.3 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 30 0, 0.0 -7,-0.2 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 125.0 5.6 14.0 7.8 49 9 D K 0 0 101 -9,-2.8 -8,-0.0 0, 0.0 0, 0.0 -0.864 360.0 360.0-124.3 360.0 2.4 13.6 9.8 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 0 111 0, 0.0 -10,-0.4 0, 0.0 -21,-0.0 0.000 360.0 360.0 360.0 360.0 4.0 17.7 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 0 109 0, 0.0 9,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.1 -4.6 15.3 26.8 54 2 E V E +c 68 0C 10 13,-2.1 15,-1.2 10,-0.3 2,-0.4 -0.991 360.0 172.5-129.4 133.9 -3.3 13.2 23.9 55 3 E X E +c 69 0C 155 -2,-0.4 15,-0.2 13,-0.2 2,-0.1 -0.986 13.3 164.2-145.7 121.9 -5.6 11.0 21.9 56 4 E F 0 0 86 13,-1.9 -2,-0.0 -2,-0.4 12,-0.0 -0.627 360.0 360.0-137.6 99.3 -5.0 9.0 18.8 57 5 E A 0 0 10 13,-0.2 -2,-0.0 -2,-0.1 13,-0.0 -0.990 360.0 360.0-164.1 360.0 -7.6 6.4 18.2 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 0 211 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -10.5 7.7 14.1 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 0.000 360.0 360.0 360.0 135.7 -2.7 17.1 21.6 62 9 E K 0 0 174 -9,-2.6 0, 0.0 0, 0.0 0, 0.0 -0.791 360.0 360.0-149.6 360.0 -4.4 19.7 23.8 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 0 113 0, 0.0 3,-2.4 0, 0.0 -10,-0.3 0.000 360.0 360.0 360.0 360.0 -2.7 18.1 28.6 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 37 0, 0.0 9,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 126.9 -0.3 14.1 30.5 67 2 F V - 0 0 73 -3,-2.4 -13,-2.1 10,-0.5 2,-0.3 -0.942 360.0-178.1-107.7 126.4 -3.3 11.8 30.1 68 3 F X E +c 54 0C 70 -2,-0.5 2,-0.3 -15,-0.2 -13,-0.2 -0.905 21.8 176.6-146.6 137.4 -2.9 9.7 26.9 69 4 F F E c 55 0C 102 -15,-1.2 -13,-1.9 -2,-0.3 -52,-0.1 -0.874 360.0 360.0-138.0 128.6 -4.8 7.1 24.9 70 5 F A 0 0 5 -2,-0.3 -13,-0.2 -15,-0.2 -68,-0.1 -0.991 360.0 360.0-143.1 360.0 -3.7 5.6 21.6 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 95 0, 0.0 -15,-0.1 0, 0.0 -55,-0.1 0.000 360.0 360.0 360.0 360.0 -5.9 0.9 22.0 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 0 141 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 157.6 -1.2 9.1 32.6 75 9 F K 0 0 124 -9,-2.3 0, 0.0 0, 0.0 0, 0.0 -0.902 360.0 360.0-148.2 360.0 2.0 10.6 33.8 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 0 152 0, 0.0 -10,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.4 15.7 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 39 0, 0.0 9,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.5 9.9 21.6 5.6 80 2 G V - 0 0 75 23,-2.3 13,-2.4 10,-0.4 2,-0.4 -0.942 360.0-178.1-110.9 124.7 12.8 19.5 4.5 81 3 G X E +d 93 0D 74 -2,-0.4 2,-0.3 11,-0.2 13,-0.2 -0.993 22.7 175.6-133.0 158.3 13.3 16.5 6.8 82 4 G F E d 94 0D 96 11,-1.6 13,-2.4 -2,-0.4 -39,-0.1 -0.976 360.0 360.0-160.8 126.6 15.5 13.5 7.4 83 5 G A 0 0 5 -2,-0.3 13,-0.2 11,-0.2 -55,-0.1 -1.000 360.0 360.0-144.1 360.0 15.4 11.0 10.2 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 97 0, 0.0 11,-0.1 0, 0.0 -42,-0.0 0.000 360.0 360.0 360.0 360.0 17.2 6.8 7.8 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 0 141 0, 0.0 -7,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 155.8 10.0 17.5 1.8 88 9 G K 0 0 121 -9,-2.1 0, 0.0 0, 0.0 0, 0.0 -0.913 360.0 360.0-151.8 360.0 6.6 19.1 2.0 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 0 155 0, 0.0 -10,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 8.3 24.1 3.1 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 0 110 0, 0.0 9,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.5 15.0 21.9 8.2 93 2 H V E +d 81 0D 12 -13,-2.4 -11,-1.6 10,-0.4 2,-0.4 -0.999 360.0 172.3-126.6 131.8 14.4 19.0 10.6 94 3 H X E +d 82 0D 153 -2,-0.4 2,-0.2 -13,-0.2 -11,-0.2 -0.982 14.2 164.6-141.6 134.8 17.2 16.4 11.1 95 4 H F 0 0 92 -13,-2.4 -2,-0.0 -2,-0.4 -14,-0.0 -0.775 360.0 360.0-153.3 96.6 17.5 13.5 13.4 96 5 H A 0 0 12 -13,-0.2 -2,-0.0 -2,-0.2 -14,-0.0 -0.984 360.0 360.0-165.1 360.0 20.2 11.0 12.5 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 0 210 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 24.1 11.3 15.8 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 0 114 0, 0.0 -7,-0.2 0, 0.0 -69,-0.0 0.000 360.0 360.0 360.0 132.9 14.7 21.9 14.0 101 9 H K 0 0 176 -9,-2.6 0, 0.0 0, 0.0 0, 0.0 -0.782 360.0 360.0-145.7 360.0 15.7 25.2 12.3 102 ! 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 0 111 0, 0.0 -23,-2.3 0, 0.0 -10,-0.4 0.000 360.0 360.0 360.0 360.0 12.7 25.0 7.9