==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 01-DEC-08 3FEV . COMPND 2 MOLECULE: FUSION OF MUSCARINIC TOXIN 1, MUSCARINIC M1-TOXIN . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.A.STURA,R.MENEZ,G.MOURIER,C.FRUCHART-GAILLARD,A.MENEZ,D.SE . 195 3 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 37.4 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 . 2 1.0 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 . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 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 0 0 4 2 0 0 3 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 2 0 1 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 48 0, 0.0 16,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.2 -19.2 29.0 6.6 2 2 A T E -A 16 0A 37 14,-0.3 60,-3.2 20,-0.1 61,-0.3 -0.957 360.0-173.0-111.6 134.3 -16.8 26.1 6.6 3 3 A a E -A 15 0A 0 12,-2.5 12,-2.4 -2,-0.4 2,-0.3 -0.884 28.1-110.5-124.0 155.8 -13.9 26.0 8.9 4 4 A V E +A 14 0A 0 -2,-0.3 10,-0.3 10,-0.2 21,-0.2 -0.660 28.9 178.8 -80.3 136.4 -10.9 23.7 9.4 5 5 A T E + 0 0 42 8,-3.1 35,-0.5 1,-0.4 2,-0.3 0.586 68.0 7.7-113.5 -21.2 -11.1 21.7 12.7 6 6 A S E -A 13 0A 14 7,-1.4 7,-2.4 33,-0.1 -1,-0.4 -0.970 63.4-172.7-155.4 154.1 -7.9 19.7 12.4 7 7 A K E +A 12 0A 101 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.988 20.2 124.4-149.9 137.8 -4.9 19.6 10.1 8 8 A S E > S-A 11 0A 45 3,-2.5 3,-1.4 -2,-0.3 99,-0.1 -0.878 73.8 -54.8-160.7-161.5 -1.8 17.4 9.5 9 9 A I T 3 S+ 0 0 56 1,-0.3 3,-0.1 -2,-0.3 100,-0.1 0.732 127.1 62.8 -60.0 -30.8 -0.1 15.4 6.8 10 10 A F T 3 S- 0 0 107 1,-0.3 2,-0.3 103,-0.0 -1,-0.3 0.740 116.8-111.3 -67.6 -21.5 -3.2 13.4 6.1 11 11 A G E < -A 8 0A 36 -3,-1.4 -3,-2.5 2,-0.0 2,-0.3 -0.968 48.1 -41.4 128.6-146.9 -4.9 16.7 5.1 12 12 A I E -A 7 0A 70 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.899 31.0-146.8-121.5 151.3 -7.6 18.7 6.7 13 13 A T E -A 6 0A 69 -7,-2.4 -8,-3.1 -2,-0.3 -7,-1.4 -0.974 27.3-167.7-108.0 132.0 -10.9 17.9 8.5 14 14 A T E -A 4 0A 66 -2,-0.5 2,-0.4 -10,-0.3 -10,-0.2 -0.788 10.6-154.3-118.4 159.9 -13.5 20.6 7.9 15 15 A E E -A 3 0A 93 -12,-2.4 -12,-2.5 -2,-0.3 2,-0.8 -0.997 20.5-130.7-135.5 131.9 -16.9 21.5 9.5 16 16 A N E -A 2 0A 120 -2,-0.4 -14,-0.3 -14,-0.2 26,-0.1 -0.762 45.9-120.1 -74.2 111.1 -19.8 23.3 8.0 17 17 A b - 0 0 12 -16,-3.0 3,-0.1 -2,-0.8 -1,-0.1 -0.220 24.7-107.8 -61.3 145.2 -20.3 25.7 10.9 18 18 A P > - 0 0 58 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.165 54.1 -66.3 -66.9 166.2 -23.7 25.6 12.7 19 19 A D T 3 S+ 0 0 170 1,-0.2 3,-0.1 3,-0.0 25,-0.0 -0.262 123.3 17.6 -54.4 133.8 -26.2 28.4 12.3 20 20 A G T 3 S+ 0 0 42 1,-0.1 2,-1.1 -3,-0.1 -1,-0.2 0.211 95.2 109.7 86.7 -14.4 -25.0 31.8 13.8 21 21 A Q < + 0 0 63 -3,-1.9 23,-0.3 1,-0.1 -1,-0.1 -0.775 32.4 155.9 -95.9 92.1 -21.4 30.6 13.9 22 22 A N + 0 0 104 -2,-1.1 2,-0.3 22,-0.3 22,-0.2 0.066 45.8 77.0-111.3 23.6 -19.9 32.8 11.1 23 23 A L E -B 43 0B 45 20,-2.1 20,-2.7 -22,-0.1 2,-0.4 -0.963 60.8-147.2-127.1 149.1 -16.2 32.9 12.2 24 24 A a E -BC 42 58B 0 34,-3.2 34,-2.2 -2,-0.3 2,-0.3 -0.865 25.9-161.3 -99.7 150.1 -13.3 30.4 12.1 25 25 A F E -BC 41 57B 44 16,-2.6 16,-1.5 -2,-0.4 2,-0.4 -0.905 23.0-162.5-129.7 158.8 -10.8 30.5 14.9 26 26 A K E -BC 40 56B 41 30,-2.0 30,-2.8 -2,-0.3 2,-0.4 -0.984 22.2-172.0-129.6 133.8 -7.3 29.5 15.8 27 27 A R E -BC 39 55B 74 12,-2.9 12,-2.3 -2,-0.4 2,-0.6 -0.992 18.0-162.1-132.8 131.5 -6.5 29.4 19.5 28 28 A W E -BC 38 54B 75 26,-2.9 26,-2.0 -2,-0.4 2,-0.6 -0.958 17.0-159.7-106.9 117.2 -3.2 28.9 21.4 29 29 A Q E -B 37 0B 62 8,-3.2 8,-2.7 -2,-0.6 2,-0.3 -0.873 15.2-131.0-100.5 120.1 -3.9 28.0 25.0 30 30 A Y E +B 36 0B 55 -2,-0.6 6,-0.2 6,-0.2 23,-0.1 -0.541 33.5 166.4 -68.3 128.6 -1.1 28.5 27.5 31 31 A I E - 0 0 77 4,-2.5 5,-0.2 1,-0.6 -1,-0.2 0.760 65.0 -26.8-108.8 -48.3 -0.6 25.4 29.5 32 32 A S E > S-B 35 0B 35 3,-1.5 3,-2.0 0, 0.0 -1,-0.6 -0.914 79.5 -78.0-157.1 173.8 2.8 26.1 31.2 33 33 A P T 3 S+ 0 0 107 0, 0.0 43,-0.1 0, 0.0 3,-0.1 0.774 132.5 35.7 -52.9 -26.3 5.9 28.1 30.4 34 34 A R T 3 S+ 0 0 186 1,-0.1 44,-3.1 43,-0.1 2,-0.4 0.203 112.5 68.5-112.3 12.1 7.0 25.4 27.9 35 35 A M E < +Bd 32 78B 39 -3,-2.0 -4,-2.5 42,-0.2 -3,-1.5 -0.950 43.4 173.8-144.2 129.3 3.7 24.3 26.5 36 36 A Y E -Bd 30 79B 73 42,-2.1 44,-2.7 -2,-0.4 2,-0.4 -0.963 20.0-147.5-122.5 140.1 0.9 25.7 24.4 37 37 A D E -Bd 29 80B 15 -8,-2.7 -8,-3.2 -2,-0.4 2,-0.4 -0.913 16.4-144.7-108.1 137.4 -2.1 23.7 23.2 38 38 A F E +B 28 0B 18 42,-2.9 44,-0.4 -2,-0.4 2,-0.3 -0.826 21.2 169.8-111.6 133.4 -3.6 24.5 19.8 39 39 A T E -B 27 0B 52 -12,-2.3 -12,-2.9 -2,-0.4 2,-0.3 -0.956 4.9-179.6-133.0 156.0 -7.3 24.4 18.6 40 40 A R E +B 26 0B 30 -35,-0.5 2,-0.3 -2,-0.3 -14,-0.2 -0.980 26.8 96.8-151.0 150.6 -9.1 25.6 15.5 41 41 A G E -B 25 0B 3 -16,-1.5 -16,-2.6 -2,-0.3 2,-0.3 -0.964 64.0 -27.0 169.0-152.2 -12.7 25.5 14.4 42 42 A b E +B 24 0B 17 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.680 49.2 176.8 -94.9 151.4 -16.0 27.4 14.2 43 43 A A E -B 23 0B 16 -20,-2.7 -20,-2.1 -2,-0.3 3,-0.1 -0.991 34.0-146.0-151.4 155.3 -17.2 30.3 16.4 44 44 A A S S+ 0 0 60 -2,-0.3 2,-0.3 -23,-0.3 -22,-0.3 0.808 90.8 10.4 -85.3 -36.6 -20.1 32.8 16.9 45 45 A T S S- 0 0 96 -22,-0.1 -1,-0.2 -24,-0.1 -22,-0.1 -0.894 74.3-116.4-137.0 165.2 -17.9 35.5 18.3 46 46 A c - 0 0 60 -2,-0.3 11,-0.1 -3,-0.1 3,-0.1 -0.851 37.5-153.0-106.6 94.6 -14.2 36.2 18.6 47 47 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 8,-0.0 -0.280 23.4-103.5 -66.5 149.2 -13.6 36.4 22.4 48 48 A K - 0 0 198 1,-0.1 2,-0.1 6,-0.0 6,-0.1 -0.628 42.5-119.8 -68.9 123.1 -10.7 38.5 23.8 49 49 A A - 0 0 40 -2,-0.4 2,-0.1 6,-0.2 3,-0.1 -0.432 23.0-122.1 -64.3 137.9 -8.0 36.0 24.8 50 50 A E > - 0 0 163 1,-0.2 3,-2.3 -2,-0.1 -1,-0.1 -0.450 55.7 -59.0 -72.7 157.4 -7.0 36.0 28.5 51 51 A Y T 3 S+ 0 0 198 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.069 126.4 15.2 -43.4 129.3 -3.4 36.7 29.3 52 52 A R T 3 S+ 0 0 124 1,-0.4 -1,-0.2 -3,-0.1 2,-0.1 -0.048 106.5 99.3 90.3 -23.0 -0.9 34.2 27.7 53 53 A D < - 0 0 31 -3,-2.3 -1,-0.4 -24,-0.1 2,-0.4 -0.468 58.2-154.2 -81.4 160.2 -3.5 32.9 25.2 54 54 A V E -C 28 0B 66 -26,-2.0 -26,-2.9 -2,-0.1 2,-0.4 -0.996 10.2-175.9-134.2 131.7 -3.8 34.0 21.6 55 55 A I E -C 27 0B 36 -2,-0.4 2,-0.4 -28,-0.2 -28,-0.2 -0.998 0.3-176.3-127.7 127.1 -7.1 33.8 19.6 56 56 A N E -C 26 0B 76 -30,-2.8 -30,-2.0 -2,-0.4 2,-0.3 -0.994 6.9-171.0-122.8 132.0 -7.2 34.8 15.9 57 57 A c E +C 25 0B 39 -2,-0.4 2,-0.3 -32,-0.2 -32,-0.2 -0.892 7.8 175.1-124.1 152.2 -10.6 34.8 14.0 58 58 A d E -C 24 0B 35 -34,-2.2 -34,-3.2 -2,-0.3 6,-0.1 -0.946 24.0-140.3-149.2 165.6 -11.5 35.1 10.3 59 59 A G + 0 0 46 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.0 0.197 64.0 86.9-123.8 19.1 -14.7 35.0 8.3 60 60 A T S > S- 0 0 96 1,-0.1 3,-2.2 -59,-0.1 4,-0.2 -0.860 88.4 -69.8-121.6 157.0 -14.1 33.2 5.0 61 61 A D T 3 S- 0 0 108 -2,-0.3 -58,-0.2 1,-0.3 -1,-0.1 -0.103 113.2 -13.2 -48.6 125.5 -14.2 29.5 4.0 62 62 A K T > S+ 0 0 80 -60,-3.2 3,-1.4 1,-0.1 -1,-0.3 0.735 86.4 145.8 54.6 28.1 -11.3 27.5 5.5 63 63 A d T < + 0 0 38 -3,-2.2 -2,-0.1 -61,-0.3 -1,-0.1 0.739 65.8 59.2 -66.1 -21.4 -9.5 30.8 6.4 64 64 A N T 3 0 0 0 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.142 360.0 360.0 -95.1 18.5 -8.1 29.1 9.6 65 65 A K < 0 0 142 -3,-1.4 -1,-0.2 -39,-0.0 -2,-0.1 0.613 360.0 360.0 -72.8 360.0 -6.3 26.4 7.6 66 !* 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 67 1 B L 0 0 54 0, 0.0 16,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.6 -5.2 11.8 23.6 68 2 B T E -E 82 0B 25 14,-0.3 60,-3.4 20,-0.1 2,-0.3 -0.970 360.0-170.7-115.9 134.6 -2.8 14.7 23.4 69 3 B e E -E 81 0B 0 12,-2.7 12,-2.3 -2,-0.4 2,-0.2 -0.902 25.7-112.5-122.4 151.4 0.1 14.8 20.9 70 4 B V E +E 80 0B 0 -2,-0.3 10,-0.3 10,-0.2 21,-0.2 -0.595 27.5 178.8 -74.1 141.4 3.1 17.1 20.4 71 5 B T E - 0 0 31 8,-3.3 35,-0.3 1,-0.4 2,-0.3 0.587 60.8 -6.2-116.9 -22.1 3.1 19.0 17.1 72 6 B S E -E 79 0B 63 7,-1.4 7,-2.1 33,-0.1 2,-0.4 -0.985 48.6-138.4-165.1 160.5 6.3 21.1 17.3 73 7 B K E +E 78 0B 109 -2,-0.3 5,-0.2 5,-0.2 2,-0.0 -0.981 24.8 176.5-125.7 121.8 9.4 22.2 19.4 74 8 B S - 0 0 97 3,-2.7 5,-0.0 -2,-0.4 -2,-0.0 0.067 52.2 -67.8 -99.0-154.2 10.6 25.8 19.4 75 9 B I S S+ 0 0 139 1,-0.1 3,-0.1 -2,-0.0 -2,-0.0 0.882 127.3 9.4 -68.5 -46.0 13.5 27.5 21.3 76 10 B F S S+ 0 0 174 1,-0.1 2,-0.3 -43,-0.1 -1,-0.1 0.324 126.8 1.3-124.2 4.0 11.9 27.3 24.8 77 11 B G - 0 0 23 -42,-0.0 -3,-2.7 2,-0.0 2,-0.3 -0.969 61.5 -98.3-171.5-174.0 8.8 25.1 24.5 78 12 B I E -dE 35 73B 27 -44,-3.1 -42,-2.1 -2,-0.3 2,-0.4 -0.823 17.2-136.0-122.7 162.7 6.4 22.8 22.6 79 13 B T E -dE 36 72B 41 -7,-2.1 -8,-3.3 -2,-0.3 -7,-1.4 -0.952 26.8-174.3-115.6 138.3 3.0 23.0 21.0 80 14 B T E -dE 37 70B 6 -44,-2.7 -42,-2.9 -2,-0.4 2,-0.3 -0.815 13.4-151.1-124.6 167.3 0.5 20.2 21.5 81 15 B E E - E 0 69B 29 -12,-2.3 -12,-2.7 -2,-0.3 2,-0.7 -0.994 19.3-131.8-138.6 137.4 -3.0 19.2 20.3 82 16 B N E - 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