==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 16-JAN-02 1KTJ . COMPND 2 MOLECULE: ALLERGEN DER P 2; . SOURCE 2 ORGANISM_SCIENTIFIC: DERMATOPHAGOIDES PTERONYSSINUS; . AUTHOR U.DEREWENDA,J.LI,Z.DEREWENDA,Z.DAUTER,G.A.MUELLER,G.S.RULE, . 258 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 38.0 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 . 4 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 . 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 . 31 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.4 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 . 2 0 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 PARALLEL BRIDGES PER LADDER . 8 2 2 2 0 0 2 2 2 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 2 2 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 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 S 0 0 74 0, 0.0 17,-3.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 15.5 23.6 27.2 43.2 2 2 A E B -A 17 0A 100 15,-0.2 21,-2.8 20,-0.1 2,-0.3 -0.476 360.0-161.0 -68.4 126.5 21.0 26.9 40.4 3 3 A V B -d 23 0B 19 13,-2.5 2,-0.5 19,-0.3 13,-0.5 -0.827 19.4-110.9-111.7 153.8 21.1 23.4 39.0 4 4 A D + 0 0 80 19,-2.8 119,-0.3 -2,-0.3 2,-0.3 -0.726 41.8 167.8 -86.1 123.7 19.8 22.1 35.7 5 5 A V - 0 0 51 -2,-0.5 2,-0.6 117,-0.1 117,-0.2 -0.923 37.0-114.3-128.1 158.0 16.8 19.7 36.0 6 6 A K E -E 121 0C 124 115,-3.4 115,-2.8 -2,-0.3 2,-0.2 -0.860 28.3-136.6 -94.9 118.2 14.5 18.3 33.3 7 7 A D E -E 120 0C 35 -2,-0.6 113,-0.3 113,-0.2 111,-0.0 -0.569 20.0-175.9 -68.0 137.8 10.9 19.5 33.8 8 8 A a + 0 0 46 111,-2.3 112,-0.2 -2,-0.2 -1,-0.1 0.143 69.4 34.8-122.4 23.1 8.3 16.7 33.3 9 9 A A S S- 0 0 42 110,-0.5 109,-0.1 108,-0.1 -2,-0.1 0.268 120.9 -49.2-128.8 -96.4 5.1 18.6 33.6 10 10 A N S S- 0 0 118 109,-0.1 -3,-0.0 0, 0.0 108,-0.0 -0.113 81.4 -84.9-144.8 39.7 4.5 22.2 32.4 11 11 A H S S+ 0 0 123 108,-0.2 31,-0.1 1,-0.1 107,-0.1 0.720 78.9 140.5 65.2 30.1 7.4 24.3 33.8 12 12 A E + 0 0 16 107,-0.1 30,-2.2 29,-0.1 2,-0.5 0.840 52.9 83.1 -69.0 -33.0 5.8 25.0 37.2 13 13 A I E + B 0 41A 32 28,-0.2 28,-0.3 106,-0.2 3,-0.1 -0.640 58.7 180.0 -73.3 119.6 9.2 24.5 38.8 14 14 A K E - 0 0 86 26,-2.6 2,-0.3 -2,-0.5 27,-0.2 0.871 61.4 -6.0 -93.0 -45.0 11.0 27.9 38.4 15 15 A K E - B 0 40A 97 25,-1.8 25,-2.0 2,-0.0 2,-0.5 -0.932 49.7-157.9-157.5 135.6 14.3 27.2 40.0 16 16 A V E - B 0 39A 22 -13,-0.5 -13,-2.5 -2,-0.3 2,-0.5 -0.955 18.2-165.0-110.9 121.3 16.1 24.4 42.0 17 17 A L E +AB 2 38A 26 21,-3.3 21,-2.1 -2,-0.5 -15,-0.2 -0.923 12.1 177.5-111.1 123.9 19.0 25.6 44.2 18 18 A V > - 0 0 11 -17,-3.0 3,-2.2 -2,-0.5 19,-0.2 -0.977 32.1-126.1-123.7 110.0 21.6 23.2 45.6 19 19 A P T 3 S+ 0 0 65 0, 0.0 17,-0.2 0, 0.0 3,-0.1 -0.389 96.8 19.7 -52.0 125.0 24.4 24.9 47.6 20 20 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -2,-0.1 8,-0.2 0.407 112.8 83.8 93.4 -2.2 27.8 23.7 46.2 21 21 A b < - 0 0 13 -3,-2.2 -1,-0.3 -20,-0.1 2,-0.3 -0.857 52.8-179.9-126.4 162.9 26.3 22.5 42.9 22 22 A H > - 0 0 101 -2,-0.3 3,-1.6 3,-0.3 -19,-0.3 -0.969 44.1 -28.1-164.1 144.7 25.6 24.4 39.6 23 23 A G B 3 S-d 3 0B 19 -21,-2.8 -19,-2.8 -2,-0.3 4,-0.0 -0.178 112.0 -33.3 53.5-138.8 24.3 24.0 36.1 24 24 A S T 3 S+ 0 0 57 -21,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.095 99.3 121.9-106.4 14.9 24.8 20.6 34.6 25 25 A E S < S- 0 0 112 -3,-1.6 -3,-0.3 1,-0.1 -21,-0.1 -0.526 81.8 -77.4 -68.8 149.0 28.1 19.8 36.3 26 26 A P - 0 0 77 0, 0.0 2,-0.7 0, 0.0 99,-0.2 -0.214 45.0-147.3 -43.5 119.3 28.3 16.6 38.4 27 27 A b E -j 125 0D 13 97,-2.8 99,-2.2 -6,-0.1 2,-0.5 -0.908 14.8-141.3 -97.8 111.7 26.6 17.4 41.8 28 28 A I E -j 126 0D 44 -2,-0.7 2,-0.6 -8,-0.2 99,-0.2 -0.620 13.3-165.0 -88.0 122.9 28.4 15.4 44.4 29 29 A I E -j 127 0D 15 97,-3.2 99,-2.4 -2,-0.5 2,-0.6 -0.939 14.0-148.0-102.3 115.0 26.3 13.9 47.2 30 30 A H E > -j 128 0D 74 -2,-0.6 3,-1.7 4,-0.2 64,-0.2 -0.802 17.0-118.3 -91.9 125.3 28.5 12.8 50.1 31 31 A R T 3 S+ 0 0 64 97,-2.3 65,-0.3 -2,-0.6 174,-0.0 -0.252 97.4 17.6 -52.2 136.1 27.4 9.7 52.2 32 32 A G T 3 S+ 0 0 30 62,-1.7 -1,-0.3 1,-0.3 64,-0.2 0.467 106.6 101.8 79.7 3.4 26.7 10.5 55.8 33 33 A K S < S- 0 0 116 -3,-1.7 61,-2.1 62,-0.2 -1,-0.3 -0.808 78.0 -96.9-122.0 152.0 26.4 14.3 55.3 34 34 A P E - C 0 93A 72 0, 0.0 2,-0.5 0, 0.0 -4,-0.2 -0.353 28.9-154.1 -64.4 145.6 23.4 16.7 55.0 35 35 A F E - C 0 92A 40 57,-2.3 57,-3.1 -6,-0.1 2,-0.4 -0.955 12.1-159.6-125.7 107.0 22.2 17.6 51.5 36 36 A Q E + C 0 91A 112 -2,-0.5 2,-0.3 55,-0.2 55,-0.2 -0.743 15.3 168.6 -94.2 140.8 20.4 21.0 51.3 37 37 A L E - C 0 90A 57 53,-2.2 53,-2.4 -2,-0.4 2,-0.3 -0.992 16.0-164.7-143.9 158.1 18.1 22.0 48.5 38 38 A E E -BC 17 89A 57 -21,-2.1 -21,-3.3 -2,-0.3 2,-0.4 -0.995 8.8-169.5-139.4 136.8 15.6 24.8 47.8 39 39 A A E -BC 16 88A 18 49,-2.4 49,-2.8 -2,-0.3 2,-0.5 -0.970 9.3-161.6-133.2 142.5 12.9 24.9 45.2 40 40 A V E +BC 15 87A 23 -25,-2.0 -26,-2.6 -2,-0.4 -25,-1.8 -0.998 23.3 162.8-121.3 124.6 10.7 27.7 43.9 41 41 A F E -BC 13 86A 16 45,-2.0 45,-3.1 -2,-0.5 2,-0.5 -0.960 34.6-123.6-137.8 161.9 7.6 26.7 42.0 42 42 A E E - C 0 85A 72 -30,-2.2 43,-0.3 -2,-0.3 2,-0.2 -0.911 32.1-117.3-105.9 129.6 4.3 28.3 40.9 43 43 A A - 0 0 0 41,-2.9 40,-2.9 -2,-0.5 41,-0.1 -0.492 20.9-166.8 -67.8 132.0 1.1 26.6 41.9 44 44 A N S S+ 0 0 52 -2,-0.2 2,-0.3 38,-0.2 -1,-0.1 0.187 71.3 21.0 -99.1 11.8 -0.9 25.5 38.9 45 45 A Q S S- 0 0 12 2,-0.1 2,-0.5 36,-0.1 -1,-0.1 -0.967 84.7 -97.4-170.4 155.1 -4.1 24.9 40.9 46 46 A N + 0 0 103 -2,-0.3 2,-0.3 35,-0.2 68,-0.2 -0.784 57.2 167.3 -84.0 125.4 -5.9 25.7 44.1 47 47 A T B -L 80 0E 4 33,-1.7 33,-3.2 -2,-0.5 -2,-0.1 -0.981 44.5-162.6-153.7 135.2 -5.1 22.8 46.5 48 48 A K S S+ 0 0 159 -2,-0.3 2,-0.3 31,-0.3 -1,-0.1 0.596 84.6 53.3 -81.8 -24.7 -5.3 21.8 50.1 49 49 A T - 0 0 46 31,-0.1 64,-0.5 2,-0.0 2,-0.3 -0.869 51.7-179.8-115.6 154.2 -2.8 19.0 49.7 50 50 A A - 0 0 0 -2,-0.3 22,-1.7 62,-0.2 23,-0.6 -0.829 15.7-177.2-151.8 98.6 0.7 18.7 48.3 51 51 A K E -FG 71 111C 67 60,-2.8 60,-2.5 -2,-0.3 2,-0.4 -0.937 14.5-142.4-111.7 131.9 2.1 15.2 48.4 52 52 A I E - G 0 110C 38 18,-2.7 2,-0.4 -2,-0.5 58,-0.2 -0.767 12.9-173.0 -97.7 132.6 5.7 14.3 47.4 53 53 A E E - G 0 109C 94 56,-2.9 56,-2.6 -2,-0.4 2,-0.4 -0.993 8.3-168.4-120.4 126.7 6.7 11.1 45.6 54 54 A I E - G 0 108C 58 -2,-0.4 2,-0.4 54,-0.2 11,-0.2 -0.952 7.3-176.6-118.6 134.6 10.4 10.4 45.0 55 55 A K E - G 0 107C 104 52,-2.3 52,-3.0 -2,-0.4 2,-0.4 -0.999 7.0-178.0-131.0 120.2 11.9 7.7 42.8 56 56 A A E -HG 63 106C 8 7,-0.6 7,-2.6 -2,-0.4 2,-0.4 -0.988 6.7-167.2-120.8 138.1 15.7 7.2 42.7 57 57 A S E -HG 62 105C 30 48,-2.4 48,-2.0 -2,-0.4 2,-0.6 -0.984 7.0-158.3-127.5 133.2 17.6 4.8 40.6 58 58 A I E > S-HG 61 104C 19 3,-2.9 3,-2.2 -2,-0.4 46,-0.2 -0.967 84.1 -19.8-109.5 116.3 21.3 3.9 41.0 59 59 A D T 3 S- 0 0 96 44,-2.7 -1,-0.2 -2,-0.6 45,-0.1 0.883 132.4 -48.1 48.6 46.8 22.8 2.5 37.9 60 60 A G T 3 S+ 0 0 63 43,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.409 116.4 114.2 75.6 -0.6 19.3 1.7 36.6 61 61 A L E < -H 58 0C 133 -3,-2.2 -3,-2.9 0, 0.0 2,-0.3 -0.910 67.6-123.1-104.4 132.8 18.1 -0.0 39.8 62 62 A E E -H 57 0C 146 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.452 31.5-172.0 -73.0 129.4 15.4 1.5 41.9 63 63 A V E -H 56 0C 54 -7,-2.6 -7,-0.6 -2,-0.3 2,-0.1 -0.916 26.8-106.4-123.9 144.6 16.4 2.2 45.5 64 64 A D - 0 0 127 -2,-0.3 -9,-0.1 -9,-0.1 -7,-0.0 -0.400 23.4-146.7 -68.0 137.5 14.3 3.4 48.5 65 65 A V - 0 0 33 -11,-0.2 3,-0.4 -2,-0.1 -11,-0.1 -0.928 21.6-166.1-108.0 102.2 14.8 7.0 49.6 66 66 A P + 0 0 19 0, 0.0 27,-0.1 0, 0.0 133,-0.1 -0.392 59.3 42.6 -79.2 165.8 14.4 7.1 53.4 67 67 A G S S+ 0 0 16 1,-0.2 2,-0.5 131,-0.1 26,-0.2 0.703 75.0 131.2 76.3 20.3 13.9 10.2 55.5 68 68 A I - 0 0 44 -3,-0.4 -1,-0.2 130,-0.1 129,-0.1 -0.924 51.2-142.7-105.9 125.9 11.4 12.1 53.3 69 69 A D - 0 0 10 -2,-0.5 -17,-0.1 1,-0.1 5,-0.1 -0.795 11.2-154.0 -80.3 116.9 8.2 13.5 54.8 70 70 A P S S+ 0 0 77 0, 0.0 -18,-2.7 0, 0.0 2,-1.2 0.729 74.5 83.6 -66.1 -22.6 5.6 13.0 52.1 71 71 A N B > -F 51 0C 42 -20,-0.2 3,-1.8 1,-0.2 4,-0.3 -0.684 54.7-176.8 -88.1 96.4 3.4 15.9 53.2 72 72 A A G > S+ 0 0 4 -22,-1.7 3,-0.9 -2,-1.2 4,-0.4 0.673 76.3 74.2 -63.1 -16.8 4.9 19.0 51.6 73 73 A c G 3 S+ 0 0 16 -23,-0.6 5,-0.4 1,-0.2 -1,-0.3 0.577 79.9 70.9 -76.2 -5.7 2.3 21.1 53.5 74 74 A H G < S+ 0 0 52 -3,-1.8 153,-1.3 1,-0.2 152,-1.3 0.859 108.9 35.0 -70.6 -33.5 4.2 20.6 56.7 75 75 A Y S < S+ 0 0 14 -3,-0.9 14,-0.3 -4,-0.3 2,-0.3 0.306 119.7 50.0-102.6 -0.3 6.9 23.0 55.2 76 76 A M S S- 0 0 4 -4,-0.4 2,-1.1 12,-0.1 151,-0.1 -0.821 90.5 -97.4-133.6 173.2 4.7 25.4 53.3 77 77 A K - 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