==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 06-MAR-12 4E1I . COMPND 2 MOLECULE: MAJOR PRION PROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.I.APOSTOL,W.K.SUREWICZ . 72 12 6 0 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4607.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 59.7 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 . 38 52.8 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 . 6 8.3 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 . 3 4.2 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 . 0 0 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 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 1 177 A H 0 0 203 0, 0.0 2,-0.5 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 59.6 -19.8 1.2 8.4 2 178 A D E +A 12 0A 85 10,-0.7 10,-2.9 73,-0.1 2,-0.3 -0.989 360.0 167.3 -99.0 126.1 -17.6 -1.7 9.1 3 179 A a E -A 11 0A 29 -2,-0.5 2,-0.3 8,-0.3 8,-0.3 -0.936 32.4-146.4-137.5 148.0 -14.2 -0.0 9.9 4 180 A V E -A 10 0A 0 6,-2.6 6,-2.3 -2,-0.3 2,-0.6 -0.907 22.4-128.5-102.5 157.5 -10.8 -0.8 11.3 5 181 A N E A 9 0A 78 -2,-0.3 4,-0.2 4,-0.2 77,-0.1 -0.915 360.0 360.0-100.8 119.4 -8.8 1.7 13.3 6 182 A I 0 0 27 2,-3.0 60,-0.0 -2,-0.6 76,-0.0 -0.817 360.0 360.0-101.9 360.0 -5.3 1.9 11.9 7 !* 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 8 211 B E 0 0 84 0, 0.0 -2,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.1 -7.4 6.7 11.8 9 212 B Q E -A 5 0A 73 -4,-0.2 18,-2.8 -6,-0.1 2,-0.4 -0.807 360.0-178.6-103.0 129.3 -10.6 5.1 10.4 10 213 B M E -AB 4 26A 0 -6,-2.3 -6,-2.6 -2,-0.4 2,-0.4 -0.999 15.8-173.3-125.3 122.1 -10.7 2.9 7.3 11 214 B a E -AB 3 25A 14 14,-2.4 14,-2.7 -2,-0.4 2,-0.4 -0.929 26.0-123.5-125.8 139.8 -14.2 1.7 6.4 12 215 B I E AB 2 24A 26 -10,-2.9 -10,-0.7 -2,-0.4 12,-0.2 -0.651 360.0 360.0 -80.3 128.2 -15.6 -0.7 3.8 13 216 B T 0 0 133 10,-2.7 10,-0.3 -2,-0.4 -1,-0.1 -0.545 360.0 360.0 -68.3 360.0 -18.2 1.0 1.7 14 !* 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 15 177 C H 0 0 175 0, 0.0 2,-0.2 0, 0.0 12,-0.2 0.000 360.0 360.0 360.0-148.6 -11.9 11.2 2.3 16 178 C D E -C 26 0A 81 10,-0.9 10,-2.9 16,-0.0 2,-0.3 -0.818 360.0-162.7-164.1 146.6 -9.9 8.9 -0.1 17 179 C b E -C 25 0A 22 8,-0.3 2,-0.3 -2,-0.2 8,-0.2 -0.845 11.5-154.9-128.9 154.4 -10.7 5.4 -1.2 18 180 C V E -C 24 0A 1 6,-2.5 6,-2.4 -2,-0.3 2,-0.4 -0.904 18.9-133.5-118.7 153.2 -9.1 2.3 -2.8 19 181 C N E C 23 0A 93 -2,-0.3 4,-0.3 4,-0.2 21,-0.1 -0.877 360.0 360.0 -92.0 146.1 -10.8 -0.5 -4.7 20 182 C I 0 0 43 2,-3.5 32,-0.0 -2,-0.4 -2,-0.0 -0.978 360.0 360.0-127.0 360.0 -10.0 -4.1 -3.9 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 22 211 D E 0 0 89 0, 0.0 -2,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.7 -15.1 -3.6 -2.7 23 212 D Q E - C 0 19A 67 -10,-0.3 -10,-2.7 -4,-0.3 2,-0.4 -0.968 360.0-165.4-122.0 140.5 -14.0 -0.2 -1.7 24 213 D M E -BC 12 18A 0 -6,-2.4 -6,-2.5 -2,-0.4 2,-0.4 -0.979 13.5-168.1-125.7 125.7 -12.1 0.9 1.4 25 214 D b E -BC 11 17A 10 -14,-2.7 -14,-2.4 -2,-0.4 2,-0.5 -0.917 23.2-132.0-123.0 138.0 -12.0 4.6 2.4 26 215 D I E BC 10 16A 16 -10,-2.9 -10,-0.9 -2,-0.4 -16,-0.2 -0.741 360.0 360.0 -81.1 125.3 -10.0 6.6 4.9 27 216 D T 0 0 128 -18,-2.8 -1,-0.2 -2,-0.5 -17,-0.1 0.875 360.0 360.0 -64.3 360.0 -12.5 8.7 6.8 28 !* 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 29 177 E H 0 0 233 0, 0.0 2,-0.5 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 159.4 -2.5 3.4 -9.4 30 178 E D + 0 0 50 10,-0.5 10,-2.4 -12,-0.0 2,-0.3 -0.774 360.0 137.3-123.6 76.3 -4.9 2.3 -6.7 31 179 E c E -D 39 0B 29 -2,-0.5 2,-0.3 8,-0.2 8,-0.2 -0.875 33.0-169.3-130.5 153.5 -3.4 4.0 -3.5 32 180 E V E -D 38 0B 1 6,-1.8 6,-2.7 -2,-0.3 2,-0.3 -0.991 28.9-117.8-141.1 137.2 -4.5 5.9 -0.4 33 181 E N E D 37 0B 105 -2,-0.3 4,-0.3 4,-0.2 -7,-0.1 -0.599 360.0 360.0 -69.2 136.9 -2.4 7.8 2.1 34 182 E I 0 0 33 2,-2.0 3,-0.2 -2,-0.3 -1,-0.1 0.135 360.0 360.0-134.8 360.0 -2.7 6.3 5.6 35 !* 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 36 211 F E 0 0 99 0, 0.0 -2,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.5 2.7 6.2 4.3 37 212 F Q E -D 33 0B 72 -4,-0.3 18,-2.1 -3,-0.2 2,-0.5 -0.974 360.0-150.5-134.5 145.9 0.6 4.6 1.6 38 213 F M E -DE 32 54B 0 -6,-2.7 -6,-1.8 -2,-0.3 2,-0.3 -0.983 26.7-177.4-107.9 122.0 -1.6 1.6 1.1 39 214 F c E -DE 31 53B 23 14,-2.8 14,-3.1 -2,-0.5 2,-0.4 -0.897 14.9-151.1-121.1 147.4 -1.6 0.4 -2.5 40 215 F I E E 0 52B 7 -10,-2.4 -10,-0.5 -2,-0.3 12,-0.2 -0.941 360.0 360.0-115.1 136.7 -3.5 -2.4 -4.2 41 216 F T 0 0 129 10,-2.4 10,-2.4 -2,-0.4 -2,-0.0 -0.880 360.0 360.0-137.8 360.0 -2.2 -4.3 -7.3 42 !* 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 43 177 G H 0 0 204 0, 0.0 18,-0.4 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 98.2 8.4 -7.7 3.2 44 178 G D + 0 0 75 16,-0.1 10,-2.8 9,-0.0 2,-0.3 0.388 360.0 71.2-117.3 7.7 5.8 -5.0 2.7 45 179 G d E -F 53 0B 17 8,-0.3 2,-0.3 14,-0.1 8,-0.3 -0.867 53.5-164.2-123.6 147.3 3.0 -6.6 0.8 46 180 G V E -F 52 0B 4 6,-2.8 6,-2.9 -2,-0.3 2,-0.4 -0.953 24.4-118.4-121.6 154.2 0.3 -9.1 1.6 47 181 G N E F 51 0B 99 -2,-0.3 4,-0.2 4,-0.2 21,-0.1 -0.756 360.0 360.0 -86.3 136.4 -1.9 -11.2 -0.7 48 182 G I 0 0 39 2,-2.2 32,-0.0 -2,-0.4 20,-0.0 -0.822 360.0 360.0-130.3 360.0 -5.6 -10.6 -0.4 49 !* 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 50 211 H E 0 0 103 0, 0.0 -2,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.0 -4.0 -9.5 -5.7 51 212 H Q E - F 0 47B 73 -10,-2.4 -10,-2.4 -4,-0.2 2,-0.5 -0.960 360.0-159.0-125.0 140.6 -1.6 -7.6 -3.4 52 213 H M E -EF 40 46B 0 -6,-2.9 -6,-2.8 -2,-0.4 2,-0.4 -0.973 22.3-171.4-112.7 121.6 -1.9 -4.9 -0.7 53 214 H d E -EF 39 45B 20 -14,-3.1 -14,-2.8 -2,-0.5 2,-0.5 -0.961 14.3-154.8-118.5 141.2 1.4 -3.1 -0.2 54 215 H I E E 38 0B 10 -10,-2.8 -16,-0.2 -2,-0.4 7,-0.1 -0.930 360.0 360.0-114.0 121.6 2.4 -0.6 2.5 55 216 H T 0 0 112 -18,-2.1 -17,-0.1 -2,-0.5 -1,-0.1 0.392 360.0 360.0-126.5 360.0 5.2 1.8 1.7 56 !* 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 57 177 I H 0 0 216 0, 0.0 2,-0.4 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 169.0 1.3 -15.6 8.4 58 178 I D + 0 0 78 10,-0.4 10,-3.2 -12,-0.1 2,-0.3 -0.720 360.0 141.7-131.5 80.8 0.4 -12.7 6.0 59 179 I e E -G 67 0C 26 -2,-0.4 2,-0.3 8,-0.3 8,-0.2 -0.912 28.6-170.5-128.1 143.8 1.4 -9.6 7.9 60 180 I V E -G 66 0C 2 6,-2.2 6,-2.9 -2,-0.3 2,-0.3 -0.975 33.9-106.7-128.2 147.3 2.9 -6.2 7.1 61 181 I N E G 65 0C 121 -18,-0.4 4,-0.3 -2,-0.3 -7,-0.1 -0.562 360.0 360.0 -64.3 133.9 4.1 -3.4 9.3 62 182 I I 0 0 30 2,-2.6 -24,-0.0 -2,-0.3 -8,-0.0 -0.915 360.0 360.0-134.0 360.0 1.7 -0.5 9.2 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 64 211 J E 0 0 107 0, 0.0 -2,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.1 1.8 -2.1 14.5 65 212 J Q E -G 61 0C 68 -4,-0.3 18,-2.6 2,-0.0 2,-0.5 -0.949 360.0-150.6-132.3 146.8 0.9 -4.8 12.0 66 213 J M E -GH 60 82C 0 -6,-2.9 -6,-2.2 -2,-0.3 2,-0.4 -0.987 24.8-170.8-115.0 123.9 -1.9 -5.5 9.6 67 214 J e E -GH 59 81C 20 14,-3.0 14,-2.5 -2,-0.5 2,-0.5 -0.944 16.0-143.6-120.4 138.1 -2.5 -9.3 9.1 68 215 J I E H 0 80C 13 -10,-3.2 -10,-0.4 -2,-0.4 12,-0.2 -0.879 360.0 360.0 -98.8 126.0 -4.7 -11.1 6.5 69 216 J T 0 0 121 10,-1.9 10,-2.4 -2,-0.5 -2,-0.0 -0.846 360.0 360.0-129.9 360.0 -6.5 -14.2 7.7 70 !* 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 71 177 K H 0 0 232 0, 0.0 2,-0.4 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 126.5 -10.6 -7.4 17.7 72 178 K D + 0 0 48 10,-0.3 10,-2.9 -68,-0.1 2,-0.3 -0.695 360.0 130.0-124.3 77.8 -9.7 -4.6 15.2 73 179 K f E -I 81 0C 33 -2,-0.4 2,-0.4 8,-0.2 8,-0.2 -0.944 40.0-165.2-134.0 144.9 -10.8 -6.3 12.0 74 180 K V E -I 80 0C 1 6,-2.2 6,-3.0 -2,-0.3 2,-0.1 -0.999 31.4-115.8-125.4 139.9 -12.7 -5.9 8.8 75 181 K N E I 79 0C 108 -2,-0.4 4,-0.3 4,-0.3 -73,-0.1 -0.400 360.0 360.0 -56.1 134.1 -13.9 -8.5 6.3 76 182 K I 0 0 40 2,-2.4 3,-0.2 -2,-0.1 -1,-0.1 0.543 360.0 360.0-130.7 360.0 -12.2 -8.1 2.9 77 !* 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 78 211 L E 0 0 107 0, 0.0 -2,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.1 -11.2 -13.4 4.8 79 212 L Q E - I 0 75C 65 -10,-2.4 -10,-1.9 -4,-0.3 2,-0.5 -0.963 360.0-130.6-145.7 158.9 -10.4 -10.3 6.9 80 213 L M E -HI 68 74C 0 -6,-3.0 -6,-2.2 -2,-0.3 2,-0.4 -0.967 30.2-173.1-111.0 126.9 -7.8 -7.7 7.7 81 214 L f E -HI 67 73C 18 -14,-2.5 -14,-3.0 -2,-0.5 2,-0.5 -0.976 16.2-141.2-127.7 143.2 -6.9 -7.3 11.3 82 215 L I E H 66 0C 14 -10,-2.9 -10,-0.3 -2,-0.4 -16,-0.2 -0.851 360.0 360.0-105.2 128.4 -4.7 -4.7 13.1 83 216 L T 0 0 125 -18,-2.6 -17,-0.2 -2,-0.5 -1,-0.1 0.449 360.0 360.0-133.1 360.0 -2.4 -5.7 15.9