==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 15-OCT-04 1WRF . COMPND 2 MOLECULE: MITE GROUP 2 ALLERGEN DER F 2; . SOURCE 2 ORGANISM_SCIENTIFIC: DERMATOPHAGOIDES FARINAE; . AUTHOR S.ICHIKAWA,T.TAKAI,T.INOUE,T.YUUKI,Y.OKUMURA,K.OGURA, . 129 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 30.2 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 . 2 1.6 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 1.6 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 . 29 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 3 1 0 1 1 0 1 0 1 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 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 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 D 0 0 148 0, 0.0 17,-1.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 166.4 0.6 1.3 0.2 2 2 A Q B -A 17 0A 111 15,-0.2 15,-0.3 20,-0.1 2,-0.2 -0.457 360.0-136.6 -77.6 152.7 3.7 1.8 2.4 3 3 A V - 0 0 12 13,-1.7 2,-0.6 20,-0.2 13,-0.3 -0.661 22.8 -99.9-106.3 165.5 3.6 4.3 5.2 4 4 A D + 0 0 91 -2,-0.2 119,-0.7 21,-0.2 2,-0.3 -0.729 59.4 143.4 -87.1 119.2 6.2 7.0 6.2 5 5 A V B -D 122 0B 29 -2,-0.6 2,-0.6 117,-0.2 117,-0.2 -0.991 43.0-134.8-150.9 157.0 8.3 5.7 9.2 6 6 A K - 0 0 159 115,-2.0 115,-0.3 -2,-0.3 2,-0.2 -0.909 25.8-127.2-120.0 108.6 11.9 6.0 10.4 7 7 A D - 0 0 41 -2,-0.6 4,-0.5 113,-0.2 113,-0.3 -0.296 18.0-164.1 -52.5 114.8 13.5 2.8 11.6 8 8 A a S S+ 0 0 66 -2,-0.2 -1,-0.2 1,-0.1 112,-0.2 0.357 78.2 68.3 -85.3 9.5 14.8 3.8 15.1 9 9 A A S S- 0 0 23 110,-0.5 -1,-0.1 4,-0.0 109,-0.1 0.919 120.1 -72.3 -90.5 -69.9 17.0 0.7 15.1 10 10 A N S S- 0 0 128 109,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.080 81.3 -57.9 171.7 57.7 19.6 1.1 12.4 11 11 A N S S+ 0 0 125 -4,-0.5 31,-0.2 108,-0.1 -3,-0.1 0.708 99.2 130.7 64.8 13.7 18.3 0.9 8.8 12 12 A E + 0 0 35 29,-0.1 30,-1.0 -5,-0.1 106,-0.1 1.000 50.5 66.6 -63.2 -67.1 17.2 -2.6 9.9 13 13 A I E - B 0 41A 3 106,-0.4 28,-0.3 28,-0.2 -6,-0.2 -0.321 68.0-160.2 -56.8 130.3 13.6 -2.4 8.6 14 14 A K E S- 0 0 96 26,-1.6 -1,-0.2 1,-0.3 2,-0.2 0.641 70.9 -30.3 -88.1 -13.9 13.7 -2.2 4.8 15 15 A K E - B 0 40A 91 25,-0.7 25,-1.5 2,-0.0 2,-0.5 -0.531 54.3-149.2 161.9 128.5 10.2 -0.8 4.6 16 16 A V E - B 0 39A 10 -13,-0.3 -13,-1.7 23,-0.2 2,-0.3 -0.949 19.6-178.1-116.8 127.0 6.9 -1.1 6.6 17 17 A M E -AB 2 38A 41 21,-1.8 21,-2.3 -2,-0.5 2,-0.3 -0.879 11.1-152.8-122.5 156.7 3.5 -0.8 4.9 18 18 A V E - B 0 37A 14 -17,-1.4 2,-1.6 -2,-0.3 19,-0.2 -0.949 22.4-123.9-127.6 148.5 -0.0 -0.8 6.3 19 19 A D S S+ 0 0 154 17,-1.0 17,-0.2 -2,-0.3 3,-0.1 -0.544 100.2 23.6 -89.7 75.5 -3.3 -1.9 4.6 20 20 A G S S+ 0 0 51 -2,-1.6 -1,-0.1 1,-0.7 15,-0.0 -0.232 101.5 70.6 169.8 -69.7 -5.3 1.3 5.1 21 21 A b - 0 0 12 1,-0.1 -1,-0.7 -20,-0.1 -3,-0.2 -0.182 65.6-140.0 -67.9 168.1 -3.2 4.5 5.6 22 22 A H - 0 0 129 4,-0.3 2,-0.8 1,-0.2 -1,-0.1 0.529 34.6-127.1-107.2 -9.3 -1.3 6.0 2.7 23 23 A G S S+ 0 0 5 2,-0.2 -1,-0.2 1,-0.2 -20,-0.2 -0.829 97.3 47.2 103.4-104.2 1.8 7.0 4.7 24 24 A S S S+ 0 0 91 -2,-0.8 -1,-0.2 -3,-0.1 3,-0.1 0.873 107.4 74.8 -41.7 -39.7 2.7 10.7 4.1 25 25 A D S S- 0 0 93 1,-0.1 -21,-0.2 99,-0.0 -2,-0.2 -0.145 102.3 -84.9 -68.5 173.2 -1.1 11.4 4.8 26 26 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 -4,-0.3 -0.417 38.0-137.3 -77.7 152.6 -2.5 11.2 8.3 27 27 A b - 0 0 16 77,-0.1 99,-2.1 -2,-0.1 2,-0.8 -0.943 6.9-156.7-116.4 130.0 -3.7 7.8 9.7 28 28 A I E -e 126 0C 50 -2,-0.5 2,-0.7 97,-0.1 99,-0.2 -0.840 9.7-164.7-106.1 102.6 -6.9 7.5 11.7 29 29 A I E -e 127 0C 7 97,-2.0 99,-2.0 -2,-0.8 2,-1.0 -0.746 9.1-150.1 -88.7 118.2 -6.7 4.4 14.0 30 30 A H E > -e 128 0C 72 -2,-0.7 3,-2.1 97,-0.2 99,-0.2 -0.729 23.1-124.7 -89.0 102.5 -10.2 3.4 15.2 31 31 A R T 3 S+ 0 0 80 97,-1.4 65,-0.2 -2,-1.0 62,-0.0 -0.090 97.4 35.8 -43.1 138.9 -9.6 1.9 18.6 32 32 A G T 3 S+ 0 0 35 1,-0.4 -1,-0.3 62,-0.3 64,-0.1 0.252 97.6 104.8 97.6 -14.6 -11.2 -1.6 18.7 33 33 A K S < S- 0 0 80 -3,-2.1 61,-1.6 62,-0.2 2,-0.7 -0.760 77.6-110.9-103.1 151.0 -10.2 -2.3 15.1 34 34 A P E - C 0 93A 81 0, 0.0 2,-0.6 0, 0.0 59,-0.2 -0.663 29.6-163.7 -79.9 113.6 -7.4 -4.6 13.9 35 35 A F E - C 0 92A 29 57,-2.2 57,-2.2 -2,-0.7 2,-0.4 -0.856 8.5-155.9 -99.4 122.1 -4.6 -2.5 12.3 36 36 A T E + C 0 91A 35 -2,-0.6 -17,-1.0 55,-0.2 2,-0.4 -0.817 15.0 176.0-102.8 138.8 -2.2 -4.7 10.2 37 37 A L E -BC 18 90A 17 53,-1.6 53,-1.2 -2,-0.4 2,-0.5 -0.984 15.3-156.0-140.2 128.5 1.4 -3.7 9.5 38 38 A E E -BC 17 89A 64 -21,-2.3 -21,-1.8 -2,-0.4 2,-0.5 -0.888 14.3-173.5-105.0 126.3 4.0 -5.7 7.6 39 39 A A E -BC 16 88A 5 49,-1.4 49,-1.4 -2,-0.5 2,-0.3 -0.949 11.4-156.1-124.7 122.8 7.7 -4.9 8.4 40 40 A L E +BC 15 87A 31 -25,-1.5 -26,-1.6 -2,-0.5 -25,-0.7 -0.684 24.5 166.2 -89.6 144.0 10.7 -6.4 6.6 41 41 A F E -BC 13 86A 0 45,-1.7 45,-2.1 -2,-0.3 2,-0.8 -0.949 38.7-122.3-159.9 138.4 13.9 -6.3 8.6 42 42 A D E - C 0 85A 45 -30,-1.0 43,-0.3 -2,-0.3 40,-0.1 -0.706 41.7-112.9 -85.1 113.6 17.3 -8.0 8.3 43 43 A A - 0 0 2 41,-2.1 40,-1.9 -2,-0.8 41,-0.2 -0.181 25.4-159.8 -44.7 113.3 17.9 -9.9 11.6 44 44 A N S S+ 0 0 51 73,-0.4 2,-0.3 38,-0.2 -1,-0.2 0.401 73.6 12.4 -81.6 7.7 20.7 -7.9 13.1 45 45 A Q S S- 0 0 10 36,-0.1 2,-0.6 35,-0.1 38,-0.1 -0.985 86.0 -94.3-170.5 163.9 21.6 -10.9 15.3 46 46 A N + 0 0 92 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.783 52.4 157.2 -92.4 121.8 20.8 -14.7 15.7 47 47 A T B -F 80 0D 3 33,-2.0 33,-0.8 -2,-0.6 3,-0.1 -0.975 43.1-145.2-141.8 156.3 18.0 -15.4 18.2 48 48 A K S S+ 0 0 145 -2,-0.3 2,-0.4 31,-0.2 30,-0.1 0.620 90.7 35.9 -95.7 -14.5 15.5 -18.2 18.9 49 49 A T - 0 0 68 31,-0.1 2,-0.3 29,-0.1 -1,-0.2 -0.996 63.9-176.0-141.3 137.9 12.7 -15.8 19.9 50 50 A A - 0 0 1 -2,-0.4 22,-0.9 -3,-0.1 23,-0.9 -0.936 8.2-157.2-129.6 152.7 11.7 -12.4 18.7 51 51 A K E -G 111 0E 85 60,-1.1 60,-1.7 -2,-0.3 2,-0.3 -0.988 9.9-139.9-133.9 140.4 9.0 -10.1 19.9 52 52 A I E -G 110 0E 6 17,-1.1 2,-0.4 -2,-0.4 58,-0.2 -0.686 16.9-164.0 -94.4 149.0 7.1 -7.2 18.2 53 53 A E E -G 109 0E 53 56,-1.0 56,-1.3 -2,-0.3 2,-0.6 -0.926 8.4-177.2-137.2 115.1 6.4 -4.0 20.2 54 54 A I E +G 108 0E 3 11,-0.5 11,-1.5 -2,-0.4 2,-0.5 -0.923 7.1 179.1-114.0 117.8 3.9 -1.4 19.2 55 55 A K E -G 107 0E 56 52,-1.2 52,-1.5 -2,-0.6 2,-0.5 -0.954 12.3-155.3-119.7 131.2 3.6 1.7 21.4 56 56 A A E -G 106 0E 8 7,-0.5 7,-2.2 -2,-0.5 2,-0.3 -0.879 6.4-150.8-107.6 133.4 1.2 4.6 20.7 57 57 A S E -GH 105 62E 26 48,-1.5 48,-0.7 -2,-0.5 5,-0.2 -0.705 9.0-145.0 -98.5 151.3 1.9 8.1 21.9 58 58 A L E > - H 0 61E 19 3,-1.3 3,-0.8 -2,-0.3 46,-0.2 -0.277 51.2 -97.4-109.2 49.2 -0.9 10.6 22.7 59 59 A D T 3 S+ 0 0 87 1,-0.3 45,-0.1 44,-0.2 3,-0.1 0.815 120.2 12.8 44.4 26.6 0.8 13.8 21.6 60 60 A G T 3 S+ 0 0 75 1,-0.1 2,-0.7 43,-0.1 -1,-0.3 -0.073 122.3 58.2 171.9 -55.2 1.6 14.1 25.3 61 61 A L E < S-H 58 0E 100 -3,-0.8 -3,-1.3 2,-0.0 2,-0.4 -0.863 71.4-148.4-103.0 113.9 0.9 10.9 27.2 62 62 A E E -H 57 0E 126 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.629 21.9-178.8 -81.6 133.6 2.8 7.9 25.9 63 63 A I - 0 0 41 -7,-2.2 -7,-0.5 -2,-0.4 2,-0.4 -0.826 24.2-123.0-126.7 168.7 1.0 4.5 26.3 64 64 A D - 0 0 100 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.882 18.7-138.3-111.9 141.9 1.8 0.9 25.4 65 65 A V + 0 0 7 -11,-1.5 -11,-0.5 -2,-0.4 3,-0.1 -0.852 26.9 176.1-108.3 105.4 -0.4 -1.1 23.1 66 66 A P + 0 0 84 0, 0.0 3,-0.1 0, 0.0 -13,-0.0 0.179 52.7 77.2 -82.6-156.9 -0.9 -4.7 24.4 67 67 A G S S+ 0 0 59 1,-0.2 26,-0.6 25,-0.1 2,-0.1 0.743 80.9 114.7 60.4 17.6 -3.2 -7.3 22.8 68 68 A I S S- 0 0 29 24,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.303 81.3 -78.1-104.7-167.1 -0.4 -7.8 20.3 69 69 A D - 0 0 27 -2,-0.1 -17,-1.1 -3,-0.1 2,-1.1 -0.825 32.1-166.4 -98.8 109.8 1.9 -10.7 19.5 70 70 A T S S+ 0 0 93 -2,-0.8 -1,-0.1 1,-0.2 -17,-0.1 -0.191 82.2 48.2 -86.7 47.5 4.7 -10.9 22.1 71 71 A N > - 0 0 50 -2,-1.1 3,-1.6 -22,-0.1 -20,-0.3 -0.277 60.1-174.1 177.8 81.9 6.6 -13.4 19.8 72 72 A A G >> S+ 0 0 0 -22,-0.9 4,-2.4 1,-0.3 3,-1.8 0.581 72.0 91.0 -65.9 -5.6 7.0 -12.4 16.1 73 73 A c G 34>S+ 0 0 26 -23,-0.9 5,-0.6 1,-0.3 -1,-0.3 0.706 74.8 70.0 -64.4 -12.1 8.5 -15.9 15.5 74 74 A H G <45S+ 0 0 149 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.779 112.8 25.5 -75.8 -23.2 4.9 -16.9 14.7 75 75 A F T <45S+ 0 0 76 -3,-1.8 2,-0.2 -4,-0.2 -2,-0.2 0.657 125.0 52.7-110.3 -24.5 5.0 -14.9 11.5 76 76 A V T <5S- 0 0 6 -4,-2.4 2,-1.3 12,-0.1 -26,-0.1 -0.687 95.9-101.7-107.7 162.6 8.7 -14.9 10.8 77 77 A K T 5 - 0 0 136 -2,-0.2 -3,-0.1 2,-0.1 -4,-0.1 -0.650 54.7-133.3 -88.5 93.8 11.0 -17.9 10.6 78 78 A c S - 0 0 78 -2,-0.6 3,-2.3 -35,-0.2 2,-0.2 -0.687 22.4-103.6 -89.1 136.9 19.8 -15.6 11.9 82 82 A K T 3 S+ 0 0 130 -2,-0.4 -38,-0.2 1,-0.3 -36,-0.1 -0.358 109.7 31.8 -58.2 118.6 21.9 -12.5 11.7 83 83 A G T 3 S+ 0 0 65 -40,-1.9 2,-0.3 1,-0.5 -1,-0.3 0.193 97.8 97.3 117.5 -15.1 22.2 -11.7 8.0 84 84 A Q < - 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