==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 26-MAR-07 2P9W . COMPND 2 MOLECULE: MAL S 1 ALLERGENIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MALASSEZIA SYMPODIALIS; . AUTHOR M.VILHELMSSON,A.ZARGARI,R.CRAMERI,O.RASOOL,A.ACHOUR,A.SCHEYN . 333 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 28 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 4 6 4 1 1 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 . 1 0 6 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 23 A A 0 0 119 0, 0.0 294,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.3 -11.1 9.9 -3.2 2 24 A L - 0 0 23 294,-0.1 2,-0.1 1,-0.1 294,-0.0 -0.527 360.0-102.8 -79.8 147.1 -10.2 11.2 0.3 3 25 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.346 12.4-130.6 -72.6 148.5 -12.9 11.1 3.0 4 26 A D S S+ 0 0 93 1,-0.2 316,-3.0 315,-0.1 2,-0.3 0.799 94.9 13.3 -62.9 -32.2 -14.8 14.2 4.1 5 27 A Q E -A 319 0A 79 314,-0.2 2,-0.6 294,-0.1 314,-0.2 -0.992 59.3-149.8-145.4 149.1 -14.0 13.1 7.7 6 28 A I E -A 318 0A 16 312,-2.2 312,-2.5 -2,-0.3 2,-0.9 -0.987 24.0-152.7-113.1 108.9 -11.7 10.7 9.5 7 29 A D E -A 317 0A 37 -2,-0.6 2,-0.8 310,-0.2 -2,-0.0 -0.784 3.0-158.4 -91.8 104.3 -13.5 9.7 12.7 8 30 A V E -A 316 0A 0 308,-1.7 308,-2.2 -2,-0.9 2,-1.3 -0.719 4.9-158.3 -81.6 112.1 -11.0 8.8 15.3 9 31 A K + 0 0 127 -2,-0.8 2,-0.4 306,-0.2 306,-0.2 -0.644 41.9 131.3-100.6 79.1 -13.0 6.6 17.8 10 32 A V > - 0 0 12 -2,-1.3 3,-0.9 303,-0.0 2,-0.2 -1.000 58.8-118.4-126.2 126.3 -10.9 6.9 20.9 11 33 A K T 3 S- 0 0 143 -2,-0.4 303,-0.3 1,-0.3 302,-0.1 -0.443 85.9 -8.7 -73.1 134.3 -12.8 7.7 24.1 12 34 A N T 3 S+ 0 0 14 301,-3.1 -1,-0.3 -2,-0.2 21,-0.2 0.867 84.2 147.7 53.5 42.7 -11.9 11.0 25.9 13 35 A L < - 0 0 0 -3,-0.9 19,-0.8 300,-0.3 21,-0.2 0.921 30.3-166.7 -73.1 -48.9 -8.9 11.7 23.6 14 36 A T - 0 0 0 17,-0.2 2,-1.8 1,-0.2 18,-1.6 0.974 11.3-156.0 51.7 68.4 -8.9 15.5 23.5 15 37 A P + 0 0 2 0, 0.0 270,-0.2 0, 0.0 -1,-0.2 -0.498 23.1 171.9 -79.1 86.0 -6.5 15.8 20.6 16 38 A E S S+ 0 0 6 -2,-1.8 2,-0.3 49,-0.3 287,-0.1 0.809 75.1 18.2 -63.2 -30.9 -5.1 19.3 21.2 17 39 A D + 0 0 1 49,-0.2 13,-2.7 -3,-0.2 2,-0.3 -0.952 66.4 179.2-134.2 160.3 -2.6 18.5 18.4 18 40 A T E +D 29 0B 0 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.892 2.3 178.6-158.1 133.6 -2.5 15.9 15.6 19 41 A I E -D 28 0B 21 9,-2.2 9,-2.8 -2,-0.3 2,-0.4 -0.954 21.6-130.4-134.9 149.4 0.1 15.4 12.9 20 42 A Y E -D 27 0B 11 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.856 3.9-150.6-101.9 139.3 0.4 12.7 10.2 21 43 A D E >> -D 26 0B 0 5,-3.1 4,-1.8 -2,-0.4 5,-1.0 -0.916 10.2-169.2-106.1 101.2 3.4 10.6 9.4 22 44 A R T 45S+ 0 0 88 -2,-0.7 -1,-0.2 51,-0.5 52,-0.1 0.881 84.6 50.8 -60.0 -40.4 3.2 9.9 5.7 23 45 A T T 45S+ 0 0 58 50,-0.4 -1,-0.2 1,-0.2 51,-0.1 0.910 119.7 34.3 -64.3 -42.4 5.9 7.3 5.7 24 46 A R T 45S- 0 0 71 2,-0.2 -2,-0.2 -3,-0.0 -1,-0.2 0.521 99.8-131.7 -97.7 -5.3 4.5 5.3 8.6 25 47 A Q T <5 + 0 0 111 -4,-1.8 18,-0.4 1,-0.2 2,-0.3 0.821 66.9 111.3 59.3 41.2 0.8 5.9 7.8 26 48 A V E < -D 21 0B 18 -5,-1.0 -5,-3.1 15,-0.2 2,-0.4 -0.963 62.3-129.6-137.1 154.1 -0.2 6.9 11.3 27 49 A F E -DE 20 40B 0 13,-2.8 13,-2.5 -2,-0.3 2,-0.5 -0.848 13.7-147.4 -96.1 140.8 -1.4 10.0 13.1 28 50 A Y E -DE 19 39B 3 -9,-2.8 -9,-2.2 -2,-0.4 2,-0.4 -0.946 28.0-176.0-102.2 123.5 0.3 11.1 16.3 29 51 A Q E -DE 18 38B 0 9,-3.1 9,-3.0 -2,-0.5 -11,-0.2 -0.966 24.9-115.9-127.6 139.7 -2.3 12.8 18.4 30 52 A S E - E 0 37B 0 -13,-2.7 2,-0.6 -2,-0.4 7,-0.2 -0.416 10.2-157.6 -59.8 143.2 -2.3 14.5 21.8 31 53 A N E >> - E 0 36B 2 5,-2.0 5,-1.3 1,-0.2 4,-1.1 -0.947 20.3-167.0-111.7 103.0 -4.1 13.1 24.6 32 54 A L T >45S+ 0 0 4 -18,-1.6 33,-1.1 -19,-0.8 3,-0.7 0.961 75.1 33.8 -56.9 -61.9 -4.4 16.3 26.5 33 55 A Y T 345S+ 0 0 57 1,-0.3 28,-0.8 -20,-0.2 26,-0.5 0.789 119.3 49.5 -73.8 -29.9 -5.6 15.4 29.9 34 56 A K T 345S- 0 0 34 -21,-0.2 23,-2.6 24,-0.2 -1,-0.3 0.530 100.7-132.9 -84.4 -8.2 -3.7 12.1 30.2 35 57 A G T <<5 + 0 0 0 -4,-1.1 17,-0.5 -3,-0.7 2,-0.3 0.911 63.5 115.4 60.8 46.6 -0.5 13.7 29.1 36 58 A R E < -E 31 0B 52 -5,-1.3 -5,-2.0 15,-0.1 2,-0.5 -0.895 67.3-109.8-142.1 168.7 0.4 11.0 26.5 37 59 A I E -EF 30 50B 0 13,-2.4 13,-3.0 -2,-0.3 2,-0.4 -0.880 26.3-155.8-102.6 130.8 0.8 10.4 22.8 38 60 A E E -EF 29 49B 0 -9,-3.0 -9,-3.1 -2,-0.5 2,-0.6 -0.892 3.4-154.5-107.2 134.8 -1.9 8.4 21.0 39 61 A V E -EF 28 48B 7 9,-3.1 9,-1.6 -2,-0.4 2,-0.5 -0.967 14.9-171.2-114.7 114.4 -0.8 6.7 17.7 40 62 A Y E -EF 27 47B 6 -13,-2.5 -13,-2.8 -2,-0.6 7,-0.2 -0.933 17.1-155.1-116.2 127.5 -3.8 6.0 15.4 41 63 A N > - 0 0 39 5,-2.8 4,-2.5 -2,-0.5 5,-0.3 -0.883 7.1-165.2 -98.1 110.0 -3.7 4.0 12.2 42 64 A P T 4 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -16,-0.1 0.750 84.3 54.8 -73.1 -18.5 -6.6 5.3 10.0 43 65 A K T 4 S+ 0 0 176 -18,-0.4 -17,-0.1 1,-0.1 -2,-0.0 0.893 125.8 19.9 -76.3 -43.5 -6.5 2.4 7.6 44 66 A T T 4 S- 0 0 82 2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.644 94.5-132.7 -97.4 -20.3 -7.0 -0.3 10.3 45 67 A Q < + 0 0 118 -4,-2.5 2,-0.2 1,-0.3 -36,-0.1 0.534 57.3 142.4 70.5 10.7 -8.4 1.9 13.1 46 68 A S - 0 0 79 -5,-0.3 -5,-2.8 -6,-0.0 2,-0.3 -0.524 26.0-180.0 -75.3 148.5 -5.9 0.3 15.6 47 69 A H E +F 40 0B 87 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.989 13.3 174.0-143.9 157.1 -4.4 2.6 18.2 48 70 A F E -F 39 0B 65 -9,-1.6 -9,-3.1 -2,-0.3 2,-0.3 -0.923 22.6-121.2-148.7 176.9 -2.0 2.5 21.1 49 71 A N E -F 38 0B 41 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.901 1.0-147.2-125.4 155.1 -0.4 5.1 23.5 50 72 A V E -F 37 0B 0 -13,-3.0 -13,-2.4 -2,-0.3 2,-0.2 -0.977 22.8-159.7-121.6 113.1 3.0 6.2 24.6 51 73 A V - 0 0 80 -2,-0.5 2,-0.5 60,-0.5 -15,-0.1 -0.615 10.3-139.7 -87.6 152.2 3.2 7.3 28.2 52 74 A I >> - 0 0 7 -17,-0.5 4,-2.8 -2,-0.2 3,-2.4 -0.968 29.1-115.7-116.6 115.0 5.9 9.6 29.6 53 75 A D T 34 S+ 0 0 168 -2,-0.5 61,-0.0 1,-0.3 0, 0.0 -0.177 97.5 7.5 -50.7 128.4 7.0 8.5 33.1 54 76 A G T 34 S+ 0 0 68 2,-0.2 -1,-0.3 1,-0.1 3,-0.0 0.352 129.7 58.5 83.1 -9.9 6.2 11.1 35.7 55 77 A A T <4 S+ 0 0 9 -3,-2.4 8,-0.4 -20,-0.1 -2,-0.2 0.687 82.4 80.5-120.4 -41.4 4.1 13.2 33.3 56 78 A S < + 0 0 31 -4,-2.8 2,-0.3 6,-0.1 -21,-0.3 -0.290 58.8 169.8 -68.0 158.4 1.3 11.0 31.9 57 79 A S - 0 0 25 -23,-2.6 -1,-0.0 4,-0.1 -2,-0.0 -0.861 49.5 -91.9-153.4-178.2 -1.8 10.5 34.1 58 80 A N S S- 0 0 137 -2,-0.3 -24,-0.2 -23,-0.0 -25,-0.1 0.240 92.9 -65.0 -91.7 14.8 -5.3 9.2 34.3 59 81 A G S S+ 0 0 5 -26,-0.5 -25,-0.1 -27,-0.1 250,-0.1 0.280 127.6 68.3 126.7 -9.0 -6.8 12.6 33.4 60 82 A D + 0 0 161 -26,-0.1 -26,-0.1 249,-0.0 4,-0.1 0.105 64.5 138.2-127.4 22.0 -5.8 15.0 36.2 61 83 A G - 0 0 16 -28,-0.8 -4,-0.1 2,-0.1 -26,-0.1 -0.270 62.4-119.4 -69.3 158.3 -2.1 15.2 35.9 62 84 A E S S+ 0 0 114 -6,-0.1 24,-3.9 23,-0.1 25,-0.3 0.795 98.4 55.6 -62.6 -33.7 -0.2 18.5 36.3 63 85 A Q E -G 85 0C 16 -8,-0.4 2,-0.3 22,-0.3 22,-0.2 -0.811 68.0-166.2-110.3 145.7 1.2 18.3 32.7 64 86 A Q E -G 84 0C 18 20,-2.7 20,-1.9 -2,-0.3 2,-0.7 -0.954 27.3-108.7-130.2 147.2 -0.9 17.9 29.6 65 87 A M E +G 83 0C 0 -33,-1.1 -49,-0.3 -34,-0.8 18,-0.2 -0.649 48.0 153.4 -79.5 110.1 0.2 16.9 26.0 66 88 A S E + 0 0 0 16,-2.4 -49,-0.2 -2,-0.7 74,-0.1 0.205 48.3 26.0 -99.0-107.3 0.0 19.9 23.7 67 89 A G E - 0 0 1 73,-0.3 15,-3.0 72,-0.2 2,-0.4 0.056 50.9-174.6 -78.1 149.8 2.1 20.0 20.6 68 90 A L E +G 81 0C 2 13,-0.2 2,-0.3 -40,-0.1 13,-0.2 -0.958 11.2 173.5-127.2 148.7 3.6 17.3 18.5 69 91 A S E -G 80 0C 14 11,-1.6 11,-2.5 -2,-0.4 2,-0.4 -0.994 24.9-124.5-152.7 158.4 6.0 17.8 15.6 70 92 A L E -G 79 0C 31 -2,-0.3 74,-0.3 9,-0.2 9,-0.2 -0.794 15.5-136.1-101.7 144.1 8.2 15.9 13.2 71 93 A L S S+ 0 0 39 7,-2.3 2,-0.3 -2,-0.4 77,-0.2 0.913 94.8 0.2 -56.9 -47.8 11.9 16.4 12.6 72 94 A T S S- 0 0 72 6,-0.3 4,-0.2 1,-0.1 -1,-0.2 -0.964 73.4-118.5-138.6 159.8 11.2 16.1 8.8 73 95 A H S S+ 0 0 53 -2,-0.3 -51,-0.5 -3,-0.1 -50,-0.4 0.937 98.7 38.8 -64.4 -48.3 8.1 15.6 6.8 74 96 A D S S+ 0 0 79 1,-0.2 3,-0.2 -52,-0.1 -1,-0.0 -0.795 127.3 2.3-106.8 147.6 9.2 12.3 5.2 75 97 A N S S- 0 0 113 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.857 84.3-162.8 50.2 40.7 11.2 9.5 6.8 76 98 A S - 0 0 0 -3,-0.3 -1,-0.2 -4,-0.2 31,-0.1 -0.330 16.5-165.0 -62.1 130.2 11.1 11.4 10.1 77 99 A K + 0 0 156 -3,-0.2 30,-2.4 1,-0.1 2,-0.3 0.711 69.3 26.5 -84.3 -21.8 13.7 10.1 12.5 78 100 A R E - 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0 0 69 -3,-0.7 3,-1.5 3,-0.2 -1,-0.1 -0.801 52.3-175.3 -94.5 89.1 -7.2 27.2 33.3 91 113 A F T 3 S+ 0 0 72 -2,-1.1 3,-0.4 1,-0.3 -1,-0.2 0.753 79.2 51.2 -69.3 -22.3 -8.2 30.9 33.5 92 114 A A T 3 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.580 127.6 22.5 -80.2 -16.5 -10.2 30.4 36.7 93 115 A D S < S+ 0 0 86 -3,-1.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.382 93.9 171.2-145.7 60.3 -7.3 28.7 38.5 94 116 A Q + 0 0 87 -3,-0.4 2,-0.3 -5,-0.1 -6,-0.2 -0.443 13.6 179.6 -89.7 145.0 -4.3 29.9 36.5 95 117 A S - 0 0 37 -8,-1.2 -5,-0.1 -2,-0.2 -10,-0.1 -0.995 24.0-168.9-138.2 145.2 -0.6 29.6 37.2 96 118 A S S S+ 0 0 32 -2,-0.3 -1,-0.1 1,-0.1 -8,-0.1 0.211 87.5 62.1-105.8 4.4 2.5 30.8 35.4 97 119 A H S S+ 0 0 120 2,-0.0 -1,-0.1 40,-0.0 2,-0.1 0.237 71.7 121.8-118.6 12.7 4.8 28.6 37.5 98 120 A G S S- 0 0 18 1,-0.1 -13,-0.2 -3,-0.1 -35,-0.0 -0.375 70.9 -86.7 -69.3 157.9 3.7 25.1 36.9 99 121 A A + 0 0 38 -15,-0.1 2,-0.3 -2,-0.1 -13,-0.1 -0.316 51.1 169.3 -53.0 136.2 5.9 22.2 35.6 100 122 A S - 0 0 9 -15,-0.1 21,-0.9 -16,-0.1 22,-0.3 -0.949 7.2-177.3-147.9 160.7 6.1 21.9 31.8 101 123 A S E -HI 83 120C 8 -18,-2.3 -18,-3.1 -2,-0.3 2,-0.3 -0.920 20.8-141.8-158.6 173.6 8.3 19.8 29.6 102 124 A F E -HI 82 119C 0 17,-2.0 17,-2.4 -2,-0.3 2,-0.4 -0.991 17.4-167.1-153.4 139.0 9.6 18.8 26.2 103 125 A H E -HI 81 118C 8 -22,-2.0 -22,-2.6 -2,-0.3 2,-0.5 -0.994 12.8-150.2-139.9 137.6 10.6 15.4 24.9 104 126 A S E -HI 80 117C 0 13,-2.3 12,-2.8 -2,-0.4 13,-1.0 -0.921 20.3-173.8-109.1 131.6 12.4 13.9 21.9 105 127 A F E -H 79 0C 1 -26,-2.9 -26,-2.3 -2,-0.5 2,-0.2 -0.960 23.3-124.8-122.4 141.4 11.5 10.5 20.7 106 128 A N E -H 78 0C 85 8,-0.4 -28,-0.3 -2,-0.4 -29,-0.1 -0.570 45.2 -98.0 -71.5 144.7 13.0 8.2 18.1 107 129 A L S S+ 0 0 16 -30,-2.4 2,-0.1 -2,-0.2 3,-0.0 -0.850 95.9 60.1-105.8 146.0 10.6 7.0 15.4 108 130 A P S S- 0 0 88 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.450 80.7-144.5 -75.5 154.6 9.0 4.6 14.9 109 131 A L - 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