==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 06-AUG-12 4GG6 . COMPND 2 MOLECULE: HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DQ ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.E.BROUGHTON,A.THEODOSSIS,J.PETERSEN,H.H.REID,J.ROSSJOHN . 1573 24 16 8 8 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1046 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 571 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 192 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.0 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 2 0 2 2 2 0 2 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 4 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 . 10 16 20 12 9 14 5 10 4 2 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 2 7 5 0 0 2 0 1 1 0 2 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 0 A D 0 0 78 0, 0.0 2,-0.3 0, 0.0 195,-0.0 0.000 360.0 360.0 360.0 175.6 -16.2 17.8 -19.8 2 1 A I - 0 0 47 2,-0.1 2,-0.1 0, 0.0 5,-0.0 -0.963 360.0-125.7-158.5 171.0 -16.2 19.8 -16.5 3 2 A V + 0 0 114 -2,-0.3 2,-0.1 193,-0.0 193,-0.0 -0.551 55.8 158.3-121.5 65.4 -18.3 21.9 -14.0 4 3 A A - 0 0 24 -2,-0.1 194,-0.2 1,-0.1 3,-0.2 -0.357 57.1-102.8 -93.7 166.4 -16.0 24.9 -13.9 5 4 A D S S+ 0 0 98 192,-0.5 2,-0.3 1,-0.2 193,-0.2 0.798 108.9 15.5 -54.2 -37.3 -16.4 28.6 -13.0 6 5 A H E -A 197 0A 43 191,-2.0 191,-2.8 194,-0.1 2,-0.5 -0.950 66.8-162.9-145.9 124.0 -16.4 29.6 -16.7 7 6 A V E +A 196 0A 46 -2,-0.3 22,-2.8 189,-0.2 2,-0.4 -0.907 17.0 178.9-107.1 131.2 -16.9 27.5 -19.8 8 7 A A E -AB 195 28A 1 187,-2.5 187,-3.0 -2,-0.5 2,-0.8 -0.997 24.9-151.4-138.1 135.0 -15.9 28.9 -23.1 9 8 A S E -AB 194 27A 5 18,-1.4 18,-2.4 -2,-0.4 2,-1.5 -0.881 9.9-174.0-102.7 100.8 -15.9 27.7 -26.7 10 9 A Y E S+ B 0 26A 0 183,-2.2 1579,-1.8 -2,-0.8 16,-0.2 -0.512 81.1 16.2 -91.2 66.5 -13.1 29.4 -28.6 11 9AA G E - 0 0 0 -2,-1.5 182,-1.9 14,-0.5 2,-1.0 0.418 57.0-173.9 128.5 84.9 -14.3 27.9 -31.8 12 10 A V E -AB 192 25A 0 13,-3.0 13,-1.4 -3,-0.3 2,-0.4 -0.907 29.1-170.0 -89.2 97.3 -17.6 26.3 -32.3 13 11 A N E +AB 191 24A 0 178,-3.0 178,-2.5 -2,-1.0 2,-0.4 -0.809 8.3 177.4 -94.6 132.9 -16.7 25.1 -35.7 14 12 A L E +AB 190 23A 4 9,-2.0 9,-1.9 -2,-0.4 2,-0.3 -0.999 11.2 163.5-142.3 136.9 -19.5 23.7 -37.9 15 13 A Y E -AB 189 22A 47 174,-2.3 174,-2.7 -2,-0.4 2,-0.3 -0.910 9.8-173.5-155.7 127.0 -19.7 22.4 -41.4 16 14 A Q E > -AB 188 21A 8 5,-3.3 5,-1.4 -2,-0.3 172,-0.2 -0.898 30.8-130.7-124.5 154.1 -22.4 20.3 -43.2 17 15 A S T 5S+ 0 0 44 170,-2.1 2,-0.4 -2,-0.3 171,-0.1 0.813 86.7 89.4 -69.0 -32.8 -22.7 18.6 -46.6 18 16 A Y T 5S- 0 0 97 1,-0.2 3,-0.5 169,-0.2 -2,-0.2 -0.553 110.3 -10.7 -71.2 121.4 -26.2 20.1 -47.2 19 17 A G T 5S- 0 0 68 -2,-0.4 -1,-0.2 1,-0.3 2,-0.1 -0.680 105.1-101.3 122.3 -77.4 -25.7 23.4 -48.9 20 18 A P T 5S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.595 72.4 162.2 -80.4 157.2 -22.9 23.0 -48.2 21 19 A S E < -B 16 0A 44 -5,-1.4 -5,-3.3 -3,-0.5 2,-0.3 -0.928 16.9-179.1-139.5 162.6 -22.8 25.3 -45.2 22 20 A G E -B 15 0A 29 -2,-0.3 2,-0.4 -7,-0.3 -7,-0.3 -0.983 11.5-148.7-156.9 161.8 -20.7 26.1 -42.1 23 21 A Q E -B 14 0A 24 -9,-1.9 -9,-2.0 -2,-0.3 2,-0.5 -0.999 3.8-168.8-139.3 136.6 -20.6 28.3 -39.0 24 22 A Y E +B 13 0A 1 12,-0.5 12,-2.2 -2,-0.4 2,-0.3 -0.982 25.7 148.7-123.3 120.8 -17.7 29.8 -37.0 25 23 A S E -BC 12 35A 0 -13,-1.4 -13,-3.0 -2,-0.5 -14,-0.5 -0.995 35.3-139.5-146.6 152.1 -18.5 31.4 -33.6 26 24 A H E -BC 10 34A 0 8,-1.9 7,-2.6 -2,-0.3 8,-1.1 -0.881 23.5-169.0-106.5 143.6 -17.0 31.9 -30.2 27 25 A E E -BC 9 32A 7 -18,-2.4 -18,-1.4 -2,-0.4 2,-0.4 -0.956 12.5-162.7-131.5 150.9 -19.0 31.6 -27.1 28 26 A F E > S-BC 8 31A 0 3,-2.4 3,-2.4 -2,-0.3 -20,-0.2 -0.998 78.3 -14.3-132.2 132.4 -18.6 32.4 -23.4 29 27 A D T 3 S- 0 0 40 -22,-2.8 -21,-0.1 -2,-0.4 3,-0.1 0.820 131.1 -50.6 46.2 37.6 -20.7 31.0 -20.6 30 28 A G T 3 S+ 0 0 25 -23,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.460 116.8 107.7 86.3 3.7 -23.2 29.8 -23.2 31 29 A D E < S-C 28 0A 0 -3,-2.4 -3,-2.4 289,-0.1 2,-0.5 -0.817 72.3-108.3-114.7 157.0 -23.6 33.1 -25.0 32 30 A E E +C 27 0A 4 -2,-0.3 -5,-0.2 287,-0.3 3,-0.1 -0.709 27.0 178.8 -90.2 122.3 -22.4 34.2 -28.5 33 31 A E E - 0 0 0 -7,-2.6 13,-2.5 -2,-0.5 14,-0.3 0.864 69.7 -29.5 -85.0 -44.9 -19.5 36.7 -28.6 34 32 A F E -CD 26 45A 0 -8,-1.1 -8,-1.9 11,-0.3 -1,-0.4 -0.960 49.6-151.0-163.4 156.3 -19.2 36.8 -32.4 35 33 A Y E -CD 25 44A 69 9,-1.8 9,-3.0 -2,-0.3 2,-0.5 -0.856 24.7-123.5-120.0 166.8 -19.8 34.7 -35.5 36 34 A V E - D 0 43A 4 -12,-2.2 2,-0.9 -2,-0.3 -12,-0.5 -0.958 12.6-134.8-112.6 120.8 -17.9 35.1 -38.8 37 35 A D E >> - D 0 42A 44 5,-2.2 4,-1.5 -2,-0.5 5,-1.3 -0.654 21.1-161.5 -66.8 108.1 -19.8 35.7 -42.0 38 36 A L T 45S+ 0 0 39 -2,-0.9 -1,-0.2 -16,-0.2 -15,-0.1 0.822 86.1 42.4 -67.6 -33.7 -18.0 33.2 -44.1 39 37 A E T 45S+ 0 0 191 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.843 120.7 40.5 -82.2 -34.9 -19.0 34.7 -47.4 40 38 A R T 45S- 0 0 202 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.624 99.5-139.6 -82.8 -14.6 -18.5 38.3 -46.4 41 39 A K T <5 + 0 0 123 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.946 55.8 133.7 51.7 55.5 -15.3 37.3 -44.5 42 40 A E E < -D 37 0A 42 -5,-1.3 -5,-2.2 16,-0.1 2,-0.6 -0.990 59.2-128.2-140.7 126.0 -16.1 39.6 -41.6 43 41 A T E -D 36 0A 31 -2,-0.4 2,-0.8 13,-0.3 -7,-0.2 -0.635 25.4-160.1 -73.5 116.8 -16.0 39.0 -37.9 44 42 A V E -D 35 0A 46 -9,-3.0 -9,-1.8 -2,-0.6 2,-0.1 -0.835 4.3-160.7-107.0 97.9 -19.4 40.1 -36.5 45 43 A W E -D 34 0A 36 -2,-0.8 -11,-0.3 -11,-0.2 -12,-0.1 -0.331 10.8-144.6 -72.9 159.7 -19.3 40.7 -32.7 46 44 A Q S S+ 0 0 72 -13,-2.5 -12,-0.1 -14,-0.1 -1,-0.1 0.320 74.8 52.9-118.4 5.6 -22.5 40.7 -30.7 47 45 A L S > S- 0 0 18 -14,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.995 74.1-130.6-133.6 145.0 -22.1 43.4 -28.1 48 46 A P H > S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.895 111.7 56.8 -53.6 -42.2 -21.1 47.1 -28.6 49 47 A L H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.937 108.3 45.7 -52.4 -52.9 -18.4 46.6 -25.8 50 48 A F H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.872 110.8 53.8 -58.2 -41.8 -16.9 43.7 -27.8 51 49 A R H < S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.808 110.4 48.3 -62.3 -32.0 -17.1 45.8 -31.0 52 50 A R H < S+ 0 0 29 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.804 130.4 12.8 -78.8 -30.2 -15.2 48.6 -29.2 53 51 A F H < S+ 0 0 81 -4,-1.5 2,-0.4 -5,-0.2 -2,-0.2 0.610 105.5 78.6-127.4 -18.2 -12.3 46.5 -27.8 54 52 A R < - 0 0 7 -4,-2.9 2,-0.4 -5,-0.3 1531,-0.1 -0.829 49.0-172.2-109.5 139.8 -12.1 43.0 -29.2 55 53 A R + 0 0 33 -2,-0.4 1531,-2.3 1529,-0.3 2,-0.4 -0.990 6.5 176.4-131.5 134.3 -10.6 41.9 -32.6 56 54 A F - 0 0 15 -2,-0.4 -13,-0.3 1529,-0.2 1531,-0.1 -0.992 29.4-126.4-137.9 131.4 -10.6 38.6 -34.4 57 55 A D >> - 0 0 78 -2,-0.4 3,-1.4 1529,-0.3 4,-0.6 -0.644 11.7-148.3 -77.9 118.3 -9.2 37.8 -37.9 58 56 A P H 3> S+ 0 0 24 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.723 91.1 74.0 -59.7 -22.7 -11.8 36.2 -40.1 59 57 A Q H 3> S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 87.6 58.4 -60.3 -37.8 -9.1 34.2 -41.9 60 58 A F H <> S+ 0 0 25 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.864 108.1 48.9 -59.9 -34.5 -8.6 31.9 -38.9 61 59 A A H X S+ 0 0 0 -4,-0.6 4,-1.9 -3,-0.5 -2,-0.2 0.940 109.9 48.5 -67.5 -50.0 -12.3 31.0 -39.3 62 60 A L H X S+ 0 0 20 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.846 112.7 49.9 -62.6 -36.2 -12.0 30.4 -43.1 63 61 A T H X S+ 0 0 14 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.936 108.8 52.1 -63.8 -49.9 -8.9 28.2 -42.5 64 62 A N H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.834 108.6 49.7 -56.4 -38.0 -10.7 26.2 -39.8 65 63 A I H X S+ 0 0 19 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.838 103.5 59.7 -74.1 -33.7 -13.7 25.4 -42.0 66 64 A A H X S+ 0 0 21 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.845 107.5 48.0 -57.6 -35.7 -11.4 24.3 -44.8 67 65 A V H X S+ 0 0 1 -4,-1.3 4,-3.3 2,-0.2 1527,-0.3 0.889 109.3 51.7 -72.2 -43.2 -10.1 21.6 -42.3 68 66 A L H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.910 106.2 55.0 -59.4 -44.5 -13.6 20.6 -41.3 69 67 A K H X S+ 0 0 27 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.912 114.4 40.2 -56.5 -45.6 -14.6 20.1 -45.0 70 68 A H H X S+ 0 0 16 -4,-1.4 4,-1.1 2,-0.2 3,-0.4 0.939 115.0 51.4 -66.9 -50.4 -11.7 17.7 -45.4 71 69 A N H >X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 3,-0.5 0.888 105.7 56.1 -52.6 -44.8 -12.2 16.0 -42.0 72 70 A L H 3X S+ 0 0 2 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.859 101.6 58.6 -57.7 -39.3 -15.8 15.4 -42.8 73 71 A N H 3X S+ 0 0 91 -4,-1.2 4,-1.3 -3,-0.4 -1,-0.2 0.851 109.2 42.4 -58.4 -39.3 -14.8 13.5 -46.0 74 72 A I H S+ 0 0 26 -4,-2.1 5,-3.2 -5,-0.2 6,-0.4 0.949 111.3 41.4 -61.0 -48.2 -18.0 9.9 -43.8 77 75 A K H ><5S+ 0 0 146 -4,-1.3 3,-2.0 3,-0.2 -2,-0.2 0.938 114.8 50.5 -62.3 -48.9 -16.1 7.0 -45.3 78 76 A R H 3<5S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.813 109.9 50.8 -62.7 -31.5 -15.0 5.6 -42.0 79 77 A S T 3<5S- 0 0 14 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.238 116.3-115.9 -87.0 12.7 -18.6 5.8 -40.7 80 78 A N T < 5S- 0 0 147 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.891 73.4 -54.6 50.6 45.5 -19.7 3.9 -43.9 81 79 A S S - 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