==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-APR-11 2YGT . COMPND 2 MOLECULE: DELTA TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR J.HUYET,C.E.NAYLOR,M.GIBERT,M.R.POPOFF,A.K.BASAK . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 49.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 35 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 3 2 1 2 2 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 1 0 0 1 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 9 A I 0 0 79 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 125.6 13.8 13.2 59.3 2 10 A R E -A 13 0A 61 11,-2.9 11,-3.4 2,-0.0 2,-0.4 -0.743 360.0-175.4 -93.5 135.7 10.1 13.8 59.8 3 11 A K E -A 12 0A 100 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.975 3.5-173.3-129.8 145.2 7.8 14.5 56.9 4 12 A E E -A 11 0A 63 7,-1.6 7,-2.5 -2,-0.4 2,-0.2 -0.993 17.1-128.0-140.1 147.5 4.2 15.5 56.7 5 13 A E E +A 10 0A 133 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.626 28.5 161.6 -99.9 151.2 1.7 15.9 53.9 6 14 A N - 0 0 62 3,-1.6 2,-0.7 -2,-0.2 3,-0.3 -0.242 69.0 -74.5-159.8 59.0 -0.7 18.8 52.9 7 15 A G S S- 0 0 72 1,-0.2 -1,-0.2 2,-0.0 0, 0.0 -0.756 117.2 -4.1 86.3-115.3 -1.8 18.4 49.3 8 16 A N S S+ 0 0 88 -2,-0.7 15,-1.9 -3,-0.1 2,-0.4 0.237 121.9 91.0 -93.8 12.3 1.1 19.3 47.0 9 17 A V E - B 0 22A 18 -3,-0.3 -3,-1.6 13,-0.2 2,-0.5 -0.914 53.8-168.7-114.3 134.5 3.2 20.4 50.0 10 18 A T E -AB 5 21A 7 11,-1.9 11,-1.8 -2,-0.4 2,-0.7 -0.975 11.1-154.4-119.0 116.2 5.6 18.2 52.0 11 19 A I E -AB 4 20A 21 -7,-2.5 -7,-1.6 -2,-0.5 2,-0.5 -0.817 14.3-165.8 -91.7 116.5 6.8 19.7 55.3 12 20 A I E -AB 3 19A 1 7,-3.4 7,-3.1 -2,-0.7 2,-0.5 -0.901 6.7-174.0-112.4 121.8 10.2 18.2 56.2 13 21 A T E +AB 2 18A 49 -11,-3.4 -11,-2.9 -2,-0.5 2,-0.4 -0.956 7.8 170.9-119.9 122.7 11.7 18.6 59.7 14 22 A Q E > S- B 0 17A 49 3,-3.1 3,-1.2 -2,-0.5 -2,-0.0 -0.922 72.4 -24.0-134.3 108.8 15.2 17.4 60.6 15 23 A N T 3 S- 0 0 150 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.961 125.4 -46.0 56.2 59.3 16.6 18.4 64.0 16 24 A N T 3 S+ 0 0 100 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.188 118.4 109.2 75.1 -18.7 14.5 21.5 64.7 17 25 A K E < -B 14 0A 103 -3,-1.2 -3,-3.1 103,-0.0 2,-0.4 -0.776 52.2-163.1 -94.7 133.8 15.1 22.7 61.2 18 26 A Q E +B 13 0A 82 -2,-0.4 28,-0.4 -5,-0.2 2,-0.3 -0.933 12.5 174.4-123.7 137.2 12.2 22.7 58.7 19 27 A I E -B 12 0A 2 -7,-3.1 -7,-3.4 -2,-0.4 2,-0.3 -0.914 18.5-136.5-132.8 163.2 11.9 22.9 55.0 20 28 A R E -BC 11 44A 105 24,-2.4 24,-3.6 -2,-0.3 2,-0.4 -0.911 5.4-155.9-124.6 149.9 9.1 22.6 52.5 21 29 A K E -BC 10 43A 45 -11,-1.8 -11,-1.9 -2,-0.3 2,-0.5 -0.984 6.2-164.1-127.9 123.2 8.7 20.9 49.1 22 30 A Y E -BC 9 42A 41 20,-3.1 20,-3.0 -2,-0.4 2,-0.3 -0.913 10.1-150.2-109.4 128.9 6.1 21.9 46.5 23 31 A S E + C 0 41A 47 -15,-1.9 2,-0.3 -2,-0.5 18,-0.2 -0.749 15.2 177.8 -99.6 143.0 5.2 19.6 43.6 24 32 A S E - C 0 40A 21 16,-2.2 16,-3.2 -2,-0.3 2,-0.4 -0.986 5.4-169.4-143.9 133.1 4.1 20.5 40.1 25 33 A T E + C 0 39A 89 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.980 7.3 173.2-127.4 131.8 3.3 18.3 37.1 26 34 A D E - C 0 38A 46 12,-1.8 12,-2.3 -2,-0.4 2,-0.4 -0.988 11.6-158.2-134.4 147.9 2.7 19.2 33.5 27 35 A S E - C 0 37A 71 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.965 8.3-177.2-126.9 141.9 2.3 17.0 30.4 28 36 A A E - C 0 36A 6 8,-2.8 8,-2.7 -2,-0.4 2,-0.4 -0.994 13.3-150.6-137.8 143.9 2.7 17.8 26.7 29 37 A T E - C 0 35A 94 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.945 17.8-140.5-114.2 135.3 2.2 15.8 23.5 30 38 A T > - 0 0 15 4,-2.8 3,-1.6 -2,-0.4 237,-0.0 -0.317 29.9 -99.6 -87.8 173.4 4.3 16.4 20.4 31 39 A K T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 234,-0.0 0.849 124.4 47.2 -60.8 -36.4 3.2 16.5 16.7 32 40 A S T 3 S- 0 0 41 30,-0.0 -1,-0.3 2,-0.0 233,-0.0 0.125 125.8 -99.4 -95.2 20.3 4.4 12.9 16.2 33 41 A N S < S+ 0 0 91 -3,-1.6 2,-0.3 1,-0.2 -2,-0.1 0.764 71.4 149.0 68.1 28.7 2.7 11.6 19.3 34 42 A S - 0 0 3 27,-0.1 -4,-2.8 204,-0.1 2,-0.4 -0.661 36.5-141.9 -80.1 150.2 5.8 11.7 21.6 35 43 A K E -CD 29 60A 68 25,-2.7 25,-2.3 -2,-0.3 2,-0.4 -0.950 17.5-173.7-121.0 136.4 4.9 12.4 25.2 36 44 A I E -CD 28 59A 1 -8,-2.7 -8,-2.8 -2,-0.4 2,-0.4 -0.995 2.0-178.2-127.3 135.1 6.7 14.4 27.8 37 45 A T E -CD 27 58A 37 21,-3.0 21,-3.2 -2,-0.4 2,-0.5 -0.996 7.7-163.2-129.9 127.0 5.9 14.8 31.5 38 46 A V E -CD 26 57A 0 -12,-2.3 -12,-1.8 -2,-0.4 2,-0.7 -0.945 3.4-165.2-112.5 125.7 7.8 17.0 33.9 39 47 A D E -CD 25 56A 43 17,-2.9 17,-3.2 -2,-0.5 2,-0.5 -0.935 12.3-166.5-106.2 111.1 7.6 16.6 37.6 40 48 A A E -CD 24 55A 1 -16,-3.2 -16,-2.2 -2,-0.7 2,-0.6 -0.854 8.9-165.1 -99.9 129.9 9.1 19.7 39.4 41 49 A S E -CD 23 54A 13 13,-3.4 13,-2.4 -2,-0.5 2,-0.6 -0.894 9.3-159.3-112.8 100.0 9.8 19.6 43.1 42 50 A F E -CD 22 53A 3 -20,-3.0 -20,-3.1 -2,-0.6 2,-0.5 -0.680 9.2-153.3 -78.0 118.6 10.4 23.2 44.3 43 51 A V E -CD 21 52A 3 9,-2.7 9,-0.8 -2,-0.6 2,-0.7 -0.835 7.3-160.7 -97.2 127.6 12.3 23.1 47.6 44 52 A D E +C 20 0A 58 -24,-3.6 -24,-2.4 -2,-0.5 2,-0.5 -0.913 23.1 162.1-105.2 106.3 11.9 25.9 50.1 45 53 A D > - 0 0 13 -2,-0.7 3,-1.9 5,-0.2 5,-0.2 -0.887 22.9-171.7-132.2 97.4 14.9 25.8 52.4 46 54 A K T 3 S+ 0 0 203 -2,-0.5 -1,-0.1 -28,-0.4 -27,-0.1 0.659 87.9 60.7 -64.1 -16.3 15.6 29.0 54.4 47 55 A F T 3 S+ 0 0 97 -29,-0.1 2,-0.3 3,-0.0 -1,-0.3 0.471 89.8 85.2 -92.1 -3.6 18.9 27.5 55.5 48 56 A S S < S- 0 0 9 -3,-1.9 74,-0.2 2,-0.1 -3,-0.1 -0.784 80.1-132.6 -97.7 144.5 20.2 27.2 52.0 49 57 A S S S+ 0 0 101 72,-0.7 178,-0.4 -2,-0.3 2,-0.3 0.577 86.9 18.3 -72.5 -9.4 21.9 30.2 50.3 50 58 A E S S- 0 0 71 -5,-0.2 2,-0.4 71,-0.1 -5,-0.2 -0.893 87.7 -84.7-149.8 179.6 19.8 29.7 47.2 51 59 A M E - E 0 225A 29 174,-2.6 174,-1.7 -2,-0.3 2,-0.4 -0.765 35.8-161.9 -96.8 137.8 16.7 28.1 45.7 52 60 A T E -DE 43 224A 3 -9,-0.8 -9,-2.7 -2,-0.4 2,-0.4 -0.969 9.2-177.3-125.3 128.4 16.7 24.5 44.5 53 61 A T E -DE 42 223A 0 170,-2.8 170,-2.9 -2,-0.4 2,-0.5 -0.984 13.2-152.8-125.6 123.8 14.2 22.8 42.1 54 62 A I E -DE 41 222A 2 -13,-2.4 -13,-3.4 -2,-0.4 2,-0.5 -0.811 12.6-160.6 -94.7 129.3 14.4 19.1 41.2 55 63 A I E -DE 40 221A 0 166,-2.9 166,-2.3 -2,-0.5 2,-0.6 -0.942 7.0-162.6-118.3 120.9 13.0 18.1 37.9 56 64 A S E -DE 39 220A 3 -17,-3.2 -17,-2.9 -2,-0.5 2,-0.6 -0.883 10.3-156.4 -99.2 123.1 12.0 14.6 36.9 57 65 A L E +DE 38 219A 2 162,-3.5 162,-2.1 -2,-0.6 2,-0.4 -0.886 14.9 175.9-102.9 117.8 11.6 14.1 33.1 58 66 A K E +DE 37 218A 41 -21,-3.2 -21,-3.0 -2,-0.6 2,-0.3 -0.986 12.7 159.6-122.4 130.5 9.3 11.2 32.0 59 67 A G E -D 36 0A 11 158,-2.1 2,-0.4 -2,-0.4 -23,-0.2 -0.888 33.8-142.4-142.8 170.1 8.6 10.5 28.4 60 68 A F E -D 35 0A 71 -25,-2.3 -25,-2.7 -2,-0.3 156,-0.2 -0.947 13.8-176.3-137.1 119.1 7.4 8.2 25.6 61 69 A I E -G 215 0B 3 154,-2.7 154,-2.5 -2,-0.4 -27,-0.1 -0.958 29.5-126.2-113.3 112.7 8.9 8.2 22.2 62 70 A P E -G 214 0B 27 0, 0.0 152,-0.3 0, 0.0 151,-0.1 -0.227 14.1-128.5 -54.6 143.4 7.2 5.8 19.8 63 71 A S - 0 0 8 150,-2.2 151,-0.2 146,-0.2 3,-0.1 0.803 24.1-148.5 -64.9 -30.3 9.7 3.4 18.1 64 72 A G + 0 0 32 149,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.722 33.5 169.6 66.6 21.7 8.3 4.3 14.7 65 73 A R + 0 0 64 146,-0.3 2,-0.3 148,-0.1 -1,-0.2 -0.438 10.2 178.9 -70.0 135.3 9.1 0.7 13.5 66 74 A K E -H 78 0C 61 12,-1.1 12,-2.8 -2,-0.2 2,-0.4 -0.993 14.0-160.6-134.4 144.4 7.7 -0.4 10.2 67 75 A I E +H 77 0C 68 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.991 25.2 151.2-124.5 125.5 8.0 -3.7 8.3 68 76 A F E -H 76 0C 76 8,-2.1 8,-2.7 -2,-0.4 2,-0.4 -0.993 41.5-112.4-151.0 157.0 7.4 -3.9 4.6 69 77 A A E -H 75 0C 51 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.764 14.0-173.9 -91.4 131.3 8.4 -5.8 1.5 70 78 A L S S- 0 0 105 4,-2.9 2,-0.3 -2,-0.4 5,-0.2 0.775 82.2 -31.8 -84.9 -34.6 10.3 -4.1 -1.2 71 79 A S S S- 0 0 58 3,-2.1 -1,-0.4 -3,-0.1 3,-0.4 -0.909 76.6 -80.1-161.1-173.8 9.8 -7.3 -3.2 72 80 A K S S+ 0 0 72 -2,-0.3 125,-0.4 1,-0.2 3,-0.1 0.727 132.5 39.0 -67.9 -20.3 9.5 -11.0 -2.5 73 81 A Y S S+ 0 0 151 1,-0.2 176,-3.0 123,-0.1 2,-0.4 0.429 114.0 56.1-111.4 -3.7 13.3 -11.2 -2.2 74 82 A R E + I 0 248C 84 -3,-0.4 -4,-2.9 174,-0.2 -3,-2.1 -0.949 60.6 178.8-138.3 118.0 13.9 -7.9 -0.3 75 83 A G E -HI 69 247C 0 172,-2.8 172,-2.6 -2,-0.4 2,-0.4 -0.841 11.6-151.7-117.8 153.7 12.4 -6.9 3.0 76 84 A V E -HI 68 246C 2 -8,-2.7 -8,-2.1 -2,-0.3 2,-0.5 -0.981 8.4-170.5-129.4 132.6 12.9 -3.8 5.2 77 85 A M E -HI 67 245C 0 168,-2.5 168,-2.6 -2,-0.4 2,-0.4 -0.936 13.9-156.2-119.3 107.1 12.5 -3.3 8.9 78 86 A R E +HI 66 244C 82 -12,-2.8 -12,-1.1 -2,-0.5 166,-0.2 -0.685 25.8 167.4 -80.8 131.9 12.7 0.4 9.9 79 87 A W E - I 0 243C 0 164,-2.5 164,-3.2 -2,-0.4 2,-1.1 -0.966 42.8-102.3-147.8 156.8 13.8 0.7 13.5 80 88 A P E + I 0 242C 0 0, 0.0 162,-0.2 0, 0.0 3,-0.1 -0.696 33.3 173.3 -86.5 96.0 15.0 3.3 16.1 81 89 A I E S+ 0 0 12 -2,-1.1 86,-2.8 160,-0.8 2,-0.4 0.858 70.6 24.0 -66.0 -33.2 18.8 3.0 16.4 82 90 A K E -JI 166 241C 42 159,-1.3 159,-3.1 84,-0.2 2,-0.4 -0.992 55.8-168.3-143.7 135.9 18.9 6.0 18.6 83 91 A Y E -JI 165 240C 1 82,-2.5 82,-3.0 -2,-0.4 2,-0.4 -0.961 16.6-165.8-113.8 138.3 16.8 8.1 21.0 84 92 A M E -JI 164 239C 44 155,-3.4 155,-2.8 -2,-0.4 2,-0.4 -0.985 6.9-173.2-129.5 136.3 18.0 11.5 22.2 85 93 A V E -JI 163 238C 1 78,-2.3 78,-2.5 -2,-0.4 2,-0.4 -0.987 3.2-174.2-130.1 126.1 16.7 13.7 25.0 86 94 A D E -JI 162 237C 18 151,-2.2 151,-2.1 -2,-0.4 2,-0.5 -0.947 12.0-168.5-117.1 136.5 17.8 17.2 25.8 87 95 A L E -JI 161 236C 2 74,-2.6 74,-2.2 -2,-0.4 2,-0.5 -0.955 18.9-167.6-117.4 109.9 16.9 19.4 28.8 88 96 A K E -JI 160 235C 32 147,-3.7 147,-2.6 -2,-0.5 2,-0.7 -0.853 14.9-146.1-103.7 126.6 18.1 22.9 28.1 89 97 A N E - 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