==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/TOXIN 17-JAN-01 1HXY . COMPND 2 MOLECULE: HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DR . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.PETERSSON,M.HAKANSSON,H.NILSSON,G.FORSBERG,L.A.SVENSSON, . 585 5 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 191 32.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 68 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 1 2 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 3 7 4 4 2 7 0 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 3 1 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 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 3 A E 0 0 138 0, 0.0 196,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-169.4 1.2 -9.7 5.0 2 4 A E - 0 0 77 194,-1.6 2,-0.3 1,-0.3 195,-0.2 0.824 360.0 -11.4-104.9 -78.3 3.6 -9.0 7.9 3 5 A H E -A 196 0A 41 193,-1.6 193,-3.6 196,-0.2 2,-0.4 -0.915 44.5-153.7-134.6 159.7 7.3 -9.1 7.2 4 6 A V E -A 195 0A 21 -2,-0.3 21,-2.4 191,-0.2 2,-0.5 -0.988 2.7-166.6-133.8 125.9 9.8 -10.0 4.5 5 7 A I E -AB 194 24A 5 189,-2.5 189,-3.5 -2,-0.4 2,-0.5 -0.951 14.2-167.7-110.4 128.9 13.5 -11.0 4.9 6 8 A I E -AB 193 23A 18 17,-1.9 17,-2.4 -2,-0.5 2,-0.8 -0.965 17.5-160.2-123.0 125.9 15.5 -11.0 1.7 7 9 A Q E -AB 192 22A 0 185,-2.9 185,-2.4 -2,-0.5 2,-0.4 -0.908 27.7-177.7 -98.9 112.9 19.0 -12.5 1.2 8 10 A A E +AB 191 21A 8 13,-2.4 13,-2.2 -2,-0.8 2,-0.3 -0.952 10.4 162.6-121.2 134.5 20.1 -10.7 -1.9 9 11 A E E +AB 190 20A 2 181,-2.3 181,-2.8 -2,-0.4 2,-0.3 -0.987 5.8 174.3-146.1 152.2 23.4 -11.1 -3.8 10 12 A F E -AB 189 19A 7 9,-1.4 9,-2.1 -2,-0.3 2,-0.4 -0.981 18.0-151.4-153.8 161.3 24.8 -10.3 -7.2 11 13 A Y E -AB 188 18A 13 177,-1.6 177,-1.8 -2,-0.3 2,-0.4 -0.996 17.1-158.7-137.2 133.2 28.0 -10.4 -9.2 12 14 A L E >> -AB 187 17A 0 5,-2.7 4,-2.4 -2,-0.4 5,-1.3 -0.951 13.6-123.8-121.7 133.7 28.7 -8.0 -12.0 13 15 A N E 45S+A 186 0A 27 173,-2.5 173,-2.3 -2,-0.4 -2,-0.0 -0.867 82.8 16.7-116.2 155.3 31.0 -8.2 -15.0 14 16 A P T 45S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 171,-0.1 -0.995 126.5 55.5 -80.0 -0.3 33.3 -6.9 -16.3 15 17 A D T 45S- 0 0 54 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.830 88.6-145.0 -59.1 -35.7 33.7 -5.0 -13.0 16 18 A Q T <5 + 0 0 124 -4,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.875 47.7 146.2 69.1 34.7 34.0 -8.2 -11.0 17 19 A S E < -B 12 0A 47 -5,-1.3 -5,-2.7 2,-0.0 -1,-0.3 -0.891 24.1-178.0-106.5 136.7 32.2 -6.5 -8.2 18 20 A G E -B 11 0A 21 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.783 10.2-159.4-128.4 172.4 29.8 -8.5 -6.0 19 21 A E E -B 10 0A 17 -9,-2.1 -9,-1.4 -2,-0.2 2,-0.3 -0.994 9.1-176.4-154.2 152.1 27.5 -8.0 -3.1 20 22 A F E +B 9 0A 0 12,-0.3 12,-2.2 -2,-0.3 2,-0.3 -0.915 25.1 142.9-152.7 121.0 25.8 -10.0 -0.3 21 23 A M E -BC 8 31A 0 -13,-2.2 -13,-2.4 -2,-0.3 2,-0.4 -0.981 40.0-120.9-156.6 165.3 23.4 -8.6 2.2 22 24 A F E -BC 7 30A 0 8,-2.5 7,-3.4 -2,-0.3 8,-0.8 -0.925 22.7-161.9-115.6 140.2 20.2 -9.1 4.2 23 25 A D E -BC 6 28A 4 -17,-2.4 -17,-1.9 -2,-0.4 2,-0.4 -0.897 7.0-167.8-120.3 145.0 17.1 -7.0 4.0 24 26 A F E > S-BC 5 27A 2 3,-2.5 3,-2.2 -2,-0.3 -19,-0.2 -0.926 78.3 -32.0-135.9 110.5 14.2 -6.6 6.4 25 27 A D T 3 S- 0 0 55 -21,-2.4 -20,-0.1 -2,-0.4 3,-0.1 0.854 128.4 -43.2 47.3 40.5 11.1 -4.9 5.1 26 28 A G T 3 S+ 0 0 14 -22,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.384 117.5 107.2 92.3 -6.7 13.3 -2.7 2.9 27 29 A D E < S-C 24 0A 1 -3,-2.2 -3,-2.5 297,-0.1 -1,-0.2 -0.881 72.2-115.8-109.5 140.0 16.1 -1.9 5.4 28 30 A E E -C 23 0A 6 -2,-0.4 -5,-0.3 295,-0.2 3,-0.1 -0.473 24.1-175.0 -68.8 136.6 19.6 -3.4 5.2 29 31 A I E - 0 0 0 -7,-3.4 13,-2.4 1,-0.5 14,-0.4 0.815 66.1 -40.1 -96.4 -46.0 20.4 -5.6 8.2 30 32 A F E -CD 22 41A 0 -8,-0.8 -8,-2.5 11,-0.3 -1,-0.5 -0.979 50.4-154.7-169.6 164.6 24.0 -6.2 7.1 31 33 A H E -CD 21 40A 33 9,-2.2 9,-3.4 -2,-0.3 2,-0.5 -0.946 25.9-111.8-143.9 163.0 26.2 -6.9 4.2 32 34 A V E - D 0 39A 5 -12,-2.2 2,-1.0 -2,-0.3 -12,-0.3 -0.892 22.1-132.7-104.1 126.6 29.6 -8.5 3.7 33 35 A D E >> - D 0 38A 47 5,-3.1 4,-3.2 -2,-0.5 5,-0.8 -0.652 16.1-159.1 -75.3 104.5 32.6 -6.4 2.7 34 36 A M T 45S+ 0 0 47 -2,-1.0 -1,-0.2 -16,-0.2 -15,-0.1 0.838 88.8 43.1 -54.6 -37.5 34.1 -8.4 -0.1 35 37 A A T 45S+ 0 0 85 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.989 121.2 36.3 -73.0 -64.4 37.5 -6.7 0.3 36 38 A K T 45S- 0 0 134 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.788 97.7-139.0 -59.2 -28.6 37.8 -6.7 4.1 37 39 A K T <5 + 0 0 132 -4,-3.2 2,-0.3 1,-0.3 -3,-0.2 0.867 63.2 117.1 68.2 37.4 36.1 -10.1 4.2 38 40 A E E < -D 33 0A 80 -5,-0.8 -5,-3.1 16,-0.1 2,-0.5 -0.943 68.9-113.1-132.4 152.4 34.1 -9.0 7.3 39 41 A T E -D 32 0A 26 -2,-0.3 2,-0.6 13,-0.3 -7,-0.3 -0.766 26.9-154.2 -92.6 131.8 30.3 -8.6 7.8 40 42 A V E -D 31 0A 46 -9,-3.4 -9,-2.2 -2,-0.5 2,-0.2 -0.926 5.8-145.9-109.7 118.0 29.2 -5.0 8.3 41 43 A W E -D 30 0A 47 -2,-0.6 -11,-0.3 -11,-0.2 3,-0.1 -0.562 14.4-133.1 -80.7 144.2 25.9 -4.3 10.3 42 44 A R S S+ 0 0 46 -13,-2.4 2,-0.4 1,-0.3 -12,-0.1 0.806 101.7 24.6 -66.5 -32.8 23.7 -1.4 9.3 43 45 A L S >> S- 0 0 27 -14,-0.4 3,-1.9 1,-0.1 4,-0.5 -0.994 84.6-133.5-132.4 123.6 23.4 -0.3 12.9 44 46 A E G >4 S+ 0 0 85 -2,-0.4 3,-1.8 1,-0.3 4,-0.3 0.838 101.3 69.9 -46.5 -40.0 26.3 -1.4 15.1 45 47 A E G >4 S+ 0 0 122 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.826 87.4 65.4 -49.4 -37.3 23.7 -2.6 17.8 46 48 A F G X> S+ 0 0 3 -3,-1.9 4,-1.3 1,-0.3 3,-0.6 0.864 93.2 61.6 -57.0 -34.9 22.6 -5.4 15.5 47 49 A G G << S+ 0 0 30 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.533 83.2 83.2 -71.1 -4.5 26.1 -7.0 15.8 48 50 A R G <4 S+ 0 0 200 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.1 0.926 113.7 1.4 -68.5 -46.8 25.7 -7.4 19.6 49 51 A F T <4 S+ 0 0 151 -3,-0.6 2,-0.4 -4,-0.4 -2,-0.2 0.574 120.7 70.7-120.5 -8.5 23.8 -10.7 19.7 50 52 A A < - 0 0 3 -4,-1.3 2,-0.3 215,-0.1 315,-0.2 -0.842 61.4-178.6-106.5 145.4 23.4 -11.7 16.1 51 53 A S B -h 365 0B 51 313,-1.7 315,-2.0 -2,-0.4 2,-0.3 -0.989 13.6-167.7-144.5 152.9 26.4 -12.8 14.1 52 54 A F - 0 0 18 -2,-0.3 2,-0.7 313,-0.2 -13,-0.3 -0.988 24.9-124.8-145.5 133.7 27.2 -14.0 10.6 53 55 A E >> - 0 0 67 -2,-0.3 3,-1.7 441,-0.3 4,-0.7 -0.676 12.7-155.6 -80.6 108.7 30.3 -15.7 9.1 54 56 A A H 3> S+ 0 0 8 -2,-0.7 4,-1.9 1,-0.3 3,-0.2 0.723 91.2 70.0 -55.0 -25.3 31.6 -13.6 6.1 55 57 A Q H 3> S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.889 91.5 58.3 -59.4 -42.8 33.2 -16.8 4.8 56 58 A G H <> S+ 0 0 12 -3,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.882 105.2 51.6 -56.5 -38.2 29.7 -18.1 4.0 57 59 A A H X S+ 0 0 0 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.951 105.6 52.1 -64.8 -51.1 29.2 -15.0 1.8 58 60 A L H X S+ 0 0 49 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.869 105.4 56.0 -56.0 -38.4 32.4 -15.4 -0.2 59 61 A A H X S+ 0 0 55 -4,-2.0 4,-1.4 1,-0.2 3,-0.4 0.974 109.1 46.5 -57.7 -54.4 31.5 -19.0 -1.0 60 62 A N H X S+ 0 0 4 -4,-1.6 4,-2.7 1,-0.2 3,-0.5 0.912 109.0 55.2 -53.2 -48.0 28.1 -17.9 -2.5 61 63 A I H X S+ 0 0 17 -4,-2.4 4,-3.0 1,-0.3 -1,-0.2 0.869 102.2 56.4 -56.0 -40.2 29.7 -15.1 -4.5 62 64 A A H X S+ 0 0 63 -4,-2.1 4,-1.7 -3,-0.4 -1,-0.3 0.881 110.7 44.9 -60.6 -38.2 32.2 -17.5 -6.2 63 65 A V H X S+ 0 0 38 -4,-1.4 4,-2.8 -3,-0.5 5,-0.2 0.916 111.1 52.4 -72.0 -42.6 29.2 -19.5 -7.4 64 66 A D H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.928 108.5 52.0 -59.3 -42.0 27.3 -16.4 -8.5 65 67 A K H X S+ 0 0 59 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.919 110.9 47.9 -58.6 -42.6 30.4 -15.4 -10.4 66 68 A A H X S+ 0 0 31 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.884 111.3 49.2 -66.6 -39.4 30.4 -18.8 -12.1 67 69 A N H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.831 104.3 59.3 -70.5 -30.9 26.7 -18.7 -13.0 68 70 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.908 105.4 50.6 -62.5 -40.4 27.0 -15.2 -14.4 69 71 A E H X S+ 0 0 108 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.928 111.5 47.6 -59.8 -48.7 29.5 -16.7 -16.9 70 72 A I H X S+ 0 0 36 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.907 114.2 45.3 -61.5 -44.7 27.1 -19.4 -17.8 71 73 A M H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.780 106.0 60.9 -72.5 -25.3 24.1 -17.1 -18.3 72 74 A T H <>S+ 0 0 10 -4,-1.9 5,-3.8 -5,-0.2 6,-0.4 0.923 114.1 36.1 -66.0 -41.1 26.2 -14.6 -20.3 73 75 A K H ><5S+ 0 0 127 -4,-1.6 3,-3.2 3,-0.2 -2,-0.2 0.965 114.0 53.8 -74.0 -56.3 26.9 -17.4 -22.9 74 76 A R H 3<5S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.789 112.0 48.8 -51.0 -26.8 23.5 -19.1 -22.7 75 77 A S T 3<5S- 0 0 9 -4,-1.5 -1,-0.3 -5,-0.2 3,-0.2 0.460 118.8-111.9 -93.2 0.2 22.0 -15.6 -23.4 76 78 A N T < 5 - 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