==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 11-JAN-12 4D8P . COMPND 2 MOLECULE: HLA-DQA1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.-Y.KIM,K.HOTTA,I.I.MATHEWS,X.CHEN . 753 8 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 267 35.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 . 1 0.1 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 . 100 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 0 2 2 1 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 7 8 7 2 9 3 3 2 1 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 0 4 4 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 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 1BA D 0 0 197 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.1 15.6 -1.3 31.7 2 1 A I - 0 0 59 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.841 360.0-146.8 -99.9 128.0 19.4 -0.9 32.4 3 2 A V + 0 0 133 -2,-0.5 2,-0.3 210,-0.1 3,-0.1 -0.731 34.0 141.4 -90.3 140.0 21.4 -3.8 33.9 4 3 A A - 0 0 23 -2,-0.3 211,-0.2 1,-0.1 3,-0.1 -0.918 54.1-125.1-167.9 154.0 24.4 -3.0 36.2 5 4 A D S S+ 0 0 93 209,-2.4 2,-0.4 -2,-0.3 210,-0.2 0.883 99.9 18.2 -70.6 -42.2 25.9 -4.5 39.4 6 5 A H E -A 214 0A 44 208,-1.6 208,-2.8 211,-0.1 2,-0.5 -0.998 65.8-160.3-136.1 135.6 25.7 -1.1 41.2 7 6 A V E +A 213 0A 56 -2,-0.4 22,-3.3 206,-0.2 23,-0.5 -0.955 16.0 176.2-116.0 121.6 23.6 2.0 40.5 8 7 A A E -AB 212 28A 0 204,-1.7 204,-2.9 -2,-0.5 2,-0.6 -0.939 25.4-149.6-122.9 146.3 24.6 5.3 42.0 9 8 A S E -AB 211 27A 6 18,-1.8 2,-2.2 -2,-0.4 18,-1.3 -0.853 11.4-176.1-107.9 91.0 23.2 8.9 41.7 10 9 A Y E S+ 0 0 0 200,-1.4 182,-2.1 -2,-0.6 16,-0.1 -0.506 82.2 30.7 -81.2 68.7 26.2 11.2 42.1 11 9AA G E + 0 0 0 -2,-2.2 199,-2.0 14,-0.4 2,-0.9 0.358 59.6 175.1 138.7 75.2 23.7 14.0 41.9 12 10 A V E +AB 209 25A 0 13,-2.5 13,-1.6 -3,-0.4 2,-0.5 -0.924 23.8 178.0 -90.6 110.3 20.2 13.7 43.0 13 11 A N E +AB 208 24A 0 195,-2.5 195,-2.7 -2,-0.9 2,-0.4 -0.960 6.4 175.1-114.9 131.3 19.1 17.3 42.4 14 12 A L E +AB 207 23A 4 9,-1.9 9,-2.1 -2,-0.5 2,-0.4 -0.970 5.1 167.8-142.1 120.5 15.6 18.4 43.1 15 13 A Y E +AB 206 22A 26 191,-2.9 191,-3.5 -2,-0.4 2,-0.3 -0.997 7.8 173.1-131.7 141.1 14.1 21.9 42.9 16 14 A Q E > -AB 205 21A 4 5,-2.3 5,-1.5 -2,-0.4 189,-0.2 -0.987 37.1-124.5-148.5 154.1 10.4 22.9 43.0 17 15 A S T 5S+ 0 0 38 187,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.938 85.1 89.8 -64.9 -52.0 8.2 26.0 43.1 18 16 A Y T 5S- 0 0 109 1,-0.2 3,-0.4 186,-0.2 -2,-0.1 -0.293 114.5 -9.1 -53.9 109.4 6.1 25.1 46.2 19 17 A G T 5S- 0 0 66 1,-0.3 -1,-0.2 -2,-0.3 2,-0.2 -0.693 100.9-101.0 134.4 -83.9 8.2 26.6 48.9 20 18 A P T 5S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.583 74.5 162.7 -68.0 148.2 10.4 27.1 47.0 21 19 A S E < +B 16 0A 48 -5,-1.5 -5,-2.3 -3,-0.4 2,-0.2 -0.965 13.5 172.4-135.3 151.8 12.2 24.0 48.3 22 20 A G E -B 15 0A 29 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.805 12.6-152.1-140.9-176.7 14.9 21.8 46.9 23 21 A Q E -B 14 0A 27 -9,-2.1 -9,-1.9 -2,-0.2 2,-0.4 -0.965 2.3-161.4-158.6 147.4 17.1 18.9 48.0 24 22 A Y E +BC 13 36A 0 12,-0.5 12,-2.8 -2,-0.3 2,-0.3 -0.990 25.8 144.0-136.4 134.4 20.5 17.6 47.3 25 23 A S E -BC 12 35A 0 -13,-1.6 -13,-2.5 -2,-0.4 -14,-0.4 -0.946 39.4-129.0-153.6 164.5 21.8 14.1 48.1 26 24 A H E - C 0 34A 0 8,-1.7 7,-2.9 -2,-0.3 8,-1.0 -0.996 25.1-166.1-121.8 133.6 23.9 11.2 46.8 27 25 A E E -BC 9 32A 7 -18,-1.3 -18,-1.8 -2,-0.4 2,-0.3 -0.866 5.2-167.4-116.3 149.6 22.4 7.7 46.6 28 26 A F E S-B 8 0A 0 3,-3.1 3,-0.3 -2,-0.3 -20,-0.2 -0.864 73.9 -16.3-144.4 116.7 24.2 4.4 46.1 29 27 A D S S- 0 0 43 -22,-3.3 -21,-0.1 -2,-0.3 3,-0.1 0.822 131.0 -49.8 55.6 36.4 22.5 1.1 45.3 30 28 A G S S+ 0 0 24 -23,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.635 117.2 109.4 87.8 15.7 19.2 2.6 46.4 31 29 A D S S- 0 0 1 -3,-0.3 -3,-3.1 311,-0.1 2,-0.5 -0.980 71.4-113.6-129.0 140.9 20.5 4.0 49.7 32 30 A E E -C 27 0A 10 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.583 26.2-178.7 -78.0 119.1 21.1 7.6 50.8 33 31 A E E - 0 0 0 -7,-2.9 13,-2.7 -2,-0.5 14,-0.6 0.901 65.9 -31.6 -82.2 -48.6 24.8 8.3 51.5 34 32 A F E -CD 26 45A 0 -8,-1.0 -8,-1.7 11,-0.3 -1,-0.4 -0.967 49.8-142.1-156.2 166.3 24.3 12.0 52.5 35 33 A Y E -CD 25 44A 74 9,-1.3 9,-2.7 -2,-0.3 2,-0.5 -0.972 21.9-127.1-127.2 152.7 22.1 15.0 52.0 36 34 A V E -CD 24 43A 4 -12,-2.8 -12,-0.5 -2,-0.3 2,-0.4 -0.869 18.9-132.0 -98.2 124.3 23.3 18.6 51.8 37 35 A D E > - D 0 42A 16 5,-2.7 5,-0.8 -2,-0.5 4,-0.2 -0.620 13.2-153.4 -70.9 128.2 21.5 21.1 54.1 38 36 A L T 5S+ 0 0 38 -2,-0.4 -1,-0.1 3,-0.2 -15,-0.0 0.446 88.3 31.9 -91.7 -1.2 20.7 24.1 52.0 39 37 A E T 5S+ 0 0 137 3,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.677 120.9 45.0-106.7 -68.0 20.6 26.7 54.8 40 38 A R T 5S- 0 0 170 1,-0.1 -2,-0.1 2,-0.1 -3,-0.1 0.421 101.1-137.3 -58.8 2.6 23.2 25.4 57.2 41 39 A K T 5 + 0 0 135 -4,-0.2 2,-0.4 1,-0.1 -3,-0.2 0.852 55.8 131.2 42.2 54.1 25.4 24.8 54.1 42 40 A E E < -D 37 0A 90 -5,-0.8 -5,-2.7 16,-0.1 2,-0.3 -0.992 62.8-122.1-145.6 134.1 26.6 21.4 55.4 43 41 A T E -D 36 0A 19 -2,-0.4 2,-0.6 13,-0.3 -7,-0.2 -0.582 27.8-159.2 -65.3 125.1 27.1 17.9 54.1 44 42 A V E -D 35 0A 33 -9,-2.7 -9,-1.3 -2,-0.3 -1,-0.1 -0.838 8.8-152.1-115.0 91.4 25.1 15.6 56.5 45 43 A W E -D 34 0A 44 -2,-0.6 -11,-0.3 -11,-0.2 -12,-0.1 -0.294 9.5-153.4 -66.1 147.1 26.4 12.0 56.2 46 44 A Q S S+ 0 0 69 -13,-2.7 -12,-0.1 1,-0.2 -1,-0.1 0.601 82.5 44.2 -98.1 -16.0 24.0 9.1 56.9 47 45 A L S >> S- 0 0 19 -14,-0.6 3,-1.5 1,-0.1 4,-0.8 -0.999 71.1-142.5-125.7 130.6 26.7 6.6 58.0 48 46 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.594 98.3 78.9 -58.8 -13.3 29.6 7.5 60.4 49 47 A L T 34 S+ 0 0 55 1,-0.2 4,-0.4 3,-0.1 5,-0.1 0.891 93.6 45.6 -55.1 -46.6 31.6 5.2 58.1 50 48 A F T <> S+ 0 0 0 -3,-1.5 2,-1.9 1,-0.2 4,-1.6 0.783 99.5 70.9 -72.5 -34.7 31.8 8.0 55.5 51 49 A R T < S+ 0 0 41 -4,-0.8 -1,-0.2 1,-0.2 4,-0.1 -0.512 86.9 72.8 -77.1 62.5 32.8 10.5 58.2 52 50 A R T 4 S- 0 0 185 -2,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.398 121.4 -11.0-138.8 -55.9 36.2 8.8 58.5 53 51 A F T 4 S+ 0 0 131 -3,-0.4 2,-0.4 -4,-0.4 -2,-0.1 0.363 117.1 79.9-127.1 3.2 38.2 9.7 55.4 54 52 A R < + 0 0 19 -4,-1.6 2,-0.2 -5,-0.1 -2,-0.2 -0.944 40.5 160.8-127.2 128.0 35.6 11.4 53.1 55 53 A R - 0 0 165 -2,-0.4 134,-1.5 -4,-0.1 2,-0.3 -0.585 19.9-147.7-119.2-170.1 33.9 14.8 52.8 56 54 A F - 0 0 6 132,-0.2 -13,-0.3 -2,-0.2 134,-0.1 -0.888 27.3-109.3-163.2 131.5 32.1 16.7 50.0 57 55 A D >> - 0 0 105 132,-0.3 3,-1.6 -2,-0.3 4,-0.6 -0.511 21.2-160.8 -73.0 104.3 31.9 20.5 49.3 58 56 A P H 3> S+ 0 0 25 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.644 87.4 70.9 -57.3 -17.8 28.3 21.6 50.2 59 57 A Q H 3> S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.912 88.8 60.9 -65.1 -41.7 29.0 24.7 48.0 60 58 A F H <> S+ 0 0 40 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.858 103.2 52.1 -53.4 -38.3 28.8 22.4 44.9 61 59 A A H X S+ 0 0 0 -4,-0.6 4,-3.2 2,-0.2 5,-0.2 0.975 108.0 48.5 -61.7 -55.9 25.2 21.6 45.9 62 60 A L H X S+ 0 0 41 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.816 111.2 51.5 -57.2 -36.1 24.1 25.2 46.3 63 61 A T H X S+ 0 0 71 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.952 113.0 45.6 -61.5 -52.4 25.6 26.0 42.9 64 62 A N H X S+ 0 0 1 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.922 114.6 47.3 -54.4 -49.3 23.7 23.1 41.3 65 63 A I H X S+ 0 0 13 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.877 106.9 55.5 -67.9 -39.4 20.5 23.9 43.0 66 64 A A H X S+ 0 0 62 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.863 107.5 51.9 -59.3 -37.7 20.6 27.6 42.1 67 65 A V H X S+ 0 0 26 -4,-1.6 4,-3.4 2,-0.2 5,-0.3 0.913 103.1 57.6 -62.0 -45.5 20.9 26.5 38.4 68 66 A L H X S+ 0 0 0 -4,-1.8 4,-3.6 1,-0.2 -2,-0.2 0.896 104.3 52.3 -55.0 -42.6 17.8 24.3 38.8 69 67 A K H X S+ 0 0 108 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.972 112.2 46.4 -52.6 -53.0 15.9 27.4 39.8 70 68 A H H X S+ 0 0 79 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.959 118.4 40.5 -52.7 -57.6 17.2 29.1 36.6 71 69 A N H X S+ 0 0 0 -4,-3.4 4,-1.8 2,-0.2 -1,-0.2 0.827 112.4 56.0 -68.2 -33.2 16.4 26.1 34.4 72 70 A L H >X S+ 0 0 0 -4,-3.6 4,-2.0 -5,-0.3 3,-0.7 0.992 105.7 49.1 -59.5 -62.6 13.1 25.4 36.1 73 71 A N H 3X S+ 0 0 85 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.849 109.3 55.1 -45.4 -42.7 11.6 28.8 35.5 74 72 A I H 3X S+ 0 0 38 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.3 0.936 110.2 44.0 -56.6 -48.6 12.7 28.6 31.9 75 73 A V H S+ 0 0 24 -4,-2.0 5,-2.8 2,-0.2 4,-0.4 0.972 112.1 38.9 -63.4 -53.6 7.7 26.6 33.2 77 75 A K H ><5S+ 0 0 69 -4,-2.1 3,-3.0 1,-0.2 -2,-0.2 0.992 115.7 51.9 -54.3 -66.8 7.4 29.3 30.6 78 76 A R H 3<5S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.668 110.9 48.7 -42.4 -30.4 8.4 27.0 27.7 79 77 A S T 3<5S- 0 0 17 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.482 112.3-114.2 -92.1 -4.3 5.7 24.4 28.8 80 78 A N T < 5S- 0 0 148 -3,-3.0 -3,-0.2 -4,-0.4 -2,-0.1 0.896 72.6 -60.9 57.6 45.6 2.9 26.9 29.1 81 79 A S S - 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