==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 11-JUL-01 1JK8 . COMPND 2 MOLECULE: MHC CLASS II HLA-DQ8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.H.LEE,K.W.WUCHERPFENNIG,D.C.WILEY . 385 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 36.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 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 . 47 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 2 5 2 1 6 1 2 1 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 2 2 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 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 2 A V 0 0 192 0, 0.0 2,-0.2 0, 0.0 195,-0.0 0.000 360.0 360.0 360.0 14.7 27.4 -17.8 19.8 2 3 A A - 0 0 28 1,-0.1 196,-0.2 196,-0.1 3,-0.1 -0.553 360.0-129.7 -82.9 148.6 29.1 -14.4 20.5 3 4 A D S S+ 0 0 91 194,-1.1 2,-0.3 1,-0.2 195,-0.2 0.830 94.0 15.3 -66.1 -30.6 29.0 -13.0 24.0 4 5 A H E -A 197 0A 43 193,-2.2 193,-3.0 2,-0.0 2,-0.4 -0.999 63.9-161.6-147.1 143.4 27.8 -9.7 22.6 5 6 A V E -A 196 0A 50 -2,-0.3 22,-2.9 191,-0.2 23,-0.4 -0.988 15.0-177.3-125.7 131.0 26.4 -8.5 19.3 6 7 A A E -AB 195 26A 1 189,-2.6 189,-2.7 -2,-0.4 2,-0.6 -0.975 21.7-156.9-133.0 146.3 26.3 -4.9 18.3 7 8 A S E -AB 194 25A 2 18,-1.9 2,-1.9 -2,-0.4 18,-1.4 -0.848 10.5-179.7-118.7 90.2 25.0 -2.9 15.3 8 9 A Y E S+ 0 0 0 185,-1.4 371,-1.9 -2,-0.6 16,-0.1 -0.413 81.8 28.8 -88.6 61.0 27.0 0.3 15.1 9 9AA G E + 0 0 0 -2,-1.9 184,-2.0 14,-0.4 2,-0.9 0.234 58.8 171.5 146.6 79.1 24.9 1.2 12.1 10 10 A V E -AB 192 23A 2 13,-2.1 13,-1.4 -3,-0.3 2,-0.5 -0.911 26.2-178.6-104.6 99.3 21.3 -0.0 11.7 11 11 A N E +AB 191 22A 2 180,-3.3 180,-2.3 -2,-0.9 2,-0.4 -0.896 7.3 179.0-107.6 130.2 20.5 2.1 8.7 12 12 A L E +AB 190 21A 3 9,-2.4 9,-2.0 -2,-0.5 2,-0.3 -0.982 8.0 174.4-132.2 140.2 17.0 2.1 7.0 13 13 A Y E -AB 189 20A 24 176,-1.8 176,-1.9 -2,-0.4 2,-0.3 -0.916 7.8-170.7-149.2 121.5 15.5 4.0 4.1 14 14 A Q E > -AB 188 19A 4 5,-3.7 5,-1.7 -2,-0.3 174,-0.2 -0.871 26.9-144.4-114.1 144.8 12.1 3.5 2.5 15 15 A S T 5S+ 0 0 41 172,-1.9 2,-0.6 -2,-0.3 -1,-0.1 0.850 85.3 89.8 -71.5 -33.5 10.6 4.9 -0.7 16 16 A Y T 5S- 0 0 99 171,-0.2 3,-0.2 1,-0.2 -2,-0.2 -0.525 112.3 -12.5 -67.0 113.7 7.3 5.0 1.1 17 17 A G T 5S- 0 0 67 -2,-0.6 -1,-0.2 1,-0.3 2,-0.1 -0.677 103.2 -99.3 129.5 -79.7 7.2 8.5 2.7 18 18 A P T 5S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.614 75.6 157.4 -74.8 163.5 10.1 8.6 2.1 19 19 A S E < +B 14 0A 47 -5,-1.7 -5,-3.7 -3,-0.2 2,-0.3 -0.989 16.7 177.3-151.7 157.7 11.3 7.7 5.5 20 20 A G E -B 13 0A 26 -2,-0.3 2,-0.3 -7,-0.3 -7,-0.3 -0.908 13.9-143.5-151.2 177.9 14.4 6.3 7.2 21 21 A Q E -B 12 0A 24 -9,-2.0 -9,-2.4 -2,-0.3 2,-0.4 -0.995 5.7-170.2-150.7 142.8 15.9 5.3 10.6 22 22 A Y E +B 11 0A 0 12,-0.3 12,-2.2 -2,-0.3 2,-0.3 -0.979 27.3 137.9-136.3 125.3 19.3 5.5 12.1 23 23 A S E -BC 10 33A 1 -13,-1.4 -13,-2.1 -2,-0.4 -14,-0.4 -0.970 40.0-127.9-156.9 168.6 20.1 3.8 15.4 24 24 A H E - C 0 32A 0 8,-2.0 7,-2.8 -2,-0.3 8,-1.1 -0.943 23.0-165.9-124.3 146.1 22.6 1.7 17.3 25 25 A E E -BC 7 30A 10 -18,-1.4 -18,-1.9 -2,-0.4 2,-0.3 -0.943 10.8-168.6-132.6 154.1 21.9 -1.4 19.2 26 26 A F E > S-BC 6 29A 0 3,-1.9 3,-1.1 -2,-0.3 -20,-0.2 -0.921 78.8 -14.9-145.3 117.1 23.7 -3.6 21.7 27 27 A D T 3 S- 0 0 44 -22,-2.9 -21,-0.1 -2,-0.3 3,-0.1 0.908 130.3 -50.3 56.7 44.7 22.6 -7.1 22.7 28 28 A G T 3 S+ 0 0 28 -23,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.480 114.7 107.8 78.0 3.1 19.2 -6.4 21.1 29 29 A D E < S-C 26 0A 3 -3,-1.1 -3,-1.9 303,-0.1 2,-0.6 -0.842 72.9-109.5-114.9 153.5 18.4 -3.1 22.7 30 30 A E E -C 25 0A 8 301,-0.4 -5,-0.3 -2,-0.3 3,-0.1 -0.700 25.9-177.2 -82.8 117.6 18.3 0.4 21.2 31 31 A E E - 0 0 0 -7,-2.8 13,-2.6 -2,-0.6 14,-0.4 0.870 68.0 -37.4 -77.7 -39.4 21.2 2.6 22.5 32 32 A F E -CD 24 43A 0 -8,-1.1 -8,-2.0 11,-0.3 -1,-0.3 -0.967 48.2-145.2-174.5 165.7 19.9 5.6 20.5 33 33 A Y E -CD 23 42A 76 9,-1.2 9,-3.0 -2,-0.3 2,-0.6 -0.933 24.2-122.1-138.2 156.5 18.3 6.8 17.3 34 34 A V E - D 0 41A 4 -12,-2.2 2,-0.7 -2,-0.3 -12,-0.3 -0.923 19.2-130.6-107.6 119.7 18.9 10.0 15.4 35 35 A D E >> - D 0 40A 42 5,-2.7 4,-1.5 -2,-0.6 5,-1.1 -0.560 22.8-161.4 -65.1 110.5 15.9 12.2 14.8 36 36 A L T 45S+ 0 0 38 -2,-0.7 -1,-0.2 1,-0.2 -15,-0.1 0.857 84.4 46.3 -67.6 -36.1 16.4 12.7 11.1 37 37 A E T 45S+ 0 0 177 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.853 123.4 33.2 -74.5 -36.3 14.2 15.8 10.8 38 38 A R T 45S- 0 0 183 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.520 98.2-134.3 -96.9 -7.4 15.7 17.5 13.8 39 39 A K T <5 + 0 0 97 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.953 58.5 135.1 50.7 55.9 19.2 16.2 13.4 40 40 A E E < -D 35 0A 118 -5,-1.1 -5,-2.7 16,-0.1 2,-0.4 -0.998 56.1-126.9-137.1 132.0 19.4 15.3 17.2 41 41 A T E -D 34 0A 29 -2,-0.4 2,-0.6 -7,-0.2 -7,-0.2 -0.637 21.0-160.7 -77.9 129.7 20.7 12.2 18.8 42 42 A V E -D 33 0A 47 -9,-3.0 -9,-1.2 -2,-0.4 2,-0.1 -0.841 6.7-159.2-116.2 94.9 18.2 10.6 21.2 43 43 A W E -D 32 0A 20 -2,-0.6 -11,-0.3 -11,-0.2 -12,-0.1 -0.372 14.1-138.9 -71.4 151.6 19.9 8.2 23.7 44 44 A Q S S+ 0 0 62 -13,-2.6 -12,-0.1 -14,-0.1 -1,-0.1 0.494 79.3 44.2 -91.6 -4.2 17.7 5.7 25.4 45 45 A L S > S- 0 0 16 -14,-0.4 4,-2.1 1,-0.1 3,-0.4 -0.998 70.9-131.3-142.7 146.1 19.2 5.8 28.9 46 46 A P H > S+ 0 0 85 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.882 112.4 59.9 -58.5 -37.6 20.3 8.6 31.3 47 47 A L H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.897 107.3 45.2 -57.7 -42.1 23.5 6.7 31.7 48 48 A F H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.925 109.2 51.6 -70.8 -46.6 24.2 7.0 28.0 49 49 A R H < S+ 0 0 130 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.1 51.0 -58.7 -30.8 23.3 10.7 27.6 50 50 A R H < S+ 0 0 177 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.906 123.6 21.8 -73.9 -44.7 25.7 11.3 30.5 51 51 A F H < S+ 0 0 86 -4,-1.8 2,-0.3 -5,-0.2 -2,-0.2 0.573 114.7 55.1-105.4 -11.3 28.8 9.4 29.2 52 52 A R < - 0 0 0 -4,-2.8 2,-0.4 -5,-0.2 323,-0.1 -0.936 51.3-168.9-131.1 152.5 28.5 9.1 25.4 53 53 A R - 0 0 123 321,-0.4 323,-2.3 -2,-0.3 2,-0.4 -0.998 2.1-175.8-140.3 136.7 28.1 11.3 22.4 54 54 A F - 0 0 11 -2,-0.4 -13,-0.2 321,-0.2 323,-0.1 -0.996 30.0-121.3-133.1 127.4 27.3 10.7 18.7 55 55 A D >> - 0 0 70 -2,-0.4 3,-1.5 321,-0.3 4,-0.6 -0.554 14.6-152.6 -72.7 116.0 27.3 13.3 16.0 56 56 A P H >> S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.811 90.6 70.9 -56.0 -33.7 23.8 13.3 14.3 57 57 A Q H 3> S+ 0 0 65 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.835 90.4 59.8 -56.1 -32.8 25.3 14.5 11.1 58 58 A F H <> S+ 0 0 88 -3,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.878 102.9 51.5 -64.9 -37.3 26.9 11.1 10.6 59 59 A A H X S+ 0 0 5 -4,-1.8 4,-2.1 1,-0.2 3,-0.8 0.957 110.1 52.9 -66.6 -50.0 24.8 7.6 5.7 63 63 A I H 3X S+ 0 0 16 -4,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.835 105.0 57.6 -54.7 -33.5 21.1 7.7 5.2 64 64 A A H 3X S+ 0 0 59 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.3 0.870 105.7 48.3 -66.9 -36.9 21.8 9.9 2.1 65 65 A V H S+ 0 0 23 -4,-2.4 5,-3.6 -5,-0.3 6,-0.4 0.943 110.2 42.4 -64.3 -42.6 15.3 -0.7 -7.5 75 75 A K H ><5S+ 0 0 163 -4,-1.4 3,-1.8 3,-0.2 -2,-0.2 0.923 111.8 53.3 -67.1 -47.1 16.4 -0.4 -11.2 76 76 A R H 3<5S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.844 111.3 46.8 -59.1 -32.9 18.7 -3.4 -11.0 77 77 A S T ><5S- 0 0 13 -4,-2.0 3,-0.5 -5,-0.1 -1,-0.3 0.234 116.2-110.7 -94.5 14.7 15.9 -5.6 -9.6 78 78 A N T < 5S- 0 0 148 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.885 74.9 -58.2 58.1 38.0 13.4 -4.5 -12.1 79 79 A S T 3 - 0 0 58 -2,-0.7 3,-2.4 3,-0.4 -3,-0.0 -0.984 41.1-108.4-129.5 118.1 -1.8 -5.1 41.8 99 99 A L T 3 S+ 0 0 105 -2,-0.5 57,-0.2 1,-0.3 55,-0.0 -0.099 101.7 15.8 -47.5 132.8 -5.0 -3.0 41.8 100 100 A G T 3 S+ 0 0 55 55,-1.8 -1,-0.3 1,-0.2 56,-0.1 0.243 99.3 114.4 87.3 -12.4 -4.4 0.7 42.5 101 101 A Q S < S- 0 0 92 -3,-2.4 -3,-0.4 54,-0.1 -1,-0.2 -0.826 73.8-113.0-100.1 116.9 -0.7 0.4 41.8 102 102 A P + 0 0 97 0, 0.0 2,-0.2 0, 0.0 52,-0.2 -0.070 50.0 157.8 -44.0 135.0 0.7 2.3 38.8 103 103 A N E - I 0 153B 8 50,-2.9 50,-2.3 -6,-0.0 2,-0.3 -0.725 34.2-119.3-144.4-167.8 2.0 -0.1 36.1 104 104 A T E - I 0 152B 28 48,-0.3 -10,-2.3 -2,-0.2 -9,-0.3 -0.971 13.4-142.9-148.3 129.1 2.8 -0.2 32.4 105 105 A L E -HI 93 151B 0 46,-3.0 46,-1.7 -2,-0.3 2,-0.5 -0.715 16.9-150.9 -90.6 144.5 1.4 -2.4 29.6 106 106 A I E -HI 92 150B 0 -14,-3.0 -14,-2.4 -2,-0.3 2,-0.6 -0.971 8.7-167.7-121.3 126.6 3.8 -3.6 27.0 107 107 A a E -HI 91 149B 0 42,-2.7 42,-2.7 -2,-0.5 2,-0.6 -0.931 7.0-163.3-117.2 109.1 2.7 -4.4 23.4 108 108 A L E -HI 90 148B 37 -18,-3.1 -18,-2.2 -2,-0.6 2,-0.7 -0.801 4.2-166.1 -96.2 121.5 5.2 -6.2 21.3 109 109 A V E -HI 89 147B 0 38,-2.7 38,-1.9 -2,-0.6 3,-0.3 -0.904 19.7-172.5-108.8 103.9 4.7 -6.2 17.5 110 110 A D E +H 88 0B 45 -22,-3.5 -22,-2.1 -2,-0.7 36,-0.2 -0.512 53.4 25.9 -97.4 164.8 7.0 -8.9 16.0 111 111 A N E S+ 0 0 34 -24,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.932 76.4 175.9 50.5 55.8 7.9 -9.9 12.5 112 112 A I E - 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