==== 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/PEPTIDE INHIBITOR 12-OCT-99 1D5Z . COMPND 2 MOLECULE: PROTEIN (HLA CLASS II HISTOCOMPATIBILITY ANTIGEN) . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.SWAIN,R.CROWTHER,U.KAMMLOTT . 591 7 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 423 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 33.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 . 1 0.2 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 . 66 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 12.9 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 2 1 0 0 3 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 4 3 5 4 1 8 1 2 2 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 4 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 3 A E 0 0 125 0, 0.0 196,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.7 2.8 44.3 24.1 2 4 A E + 0 0 96 194,-1.5 2,-0.3 1,-0.4 195,-0.2 0.395 360.0 5.6-128.5 -40.1 4.7 47.4 25.1 3 5 A H E -A 196 0A 28 193,-1.2 193,-3.1 196,-0.1 -1,-0.4 -0.995 56.1-162.3-151.8 151.2 8.1 45.9 24.7 4 6 A V E -A 195 0A 20 -2,-0.3 21,-2.3 191,-0.2 2,-0.5 -0.996 5.1-163.8-137.6 127.8 9.8 42.8 23.4 5 7 A I E -AB 194 24A 3 189,-2.6 189,-2.6 -2,-0.4 2,-0.5 -0.964 14.1-170.9-113.2 125.2 13.4 41.7 24.2 6 8 A I E -AB 193 23A 22 17,-3.0 17,-2.9 -2,-0.5 2,-0.9 -0.971 21.8-156.7-124.1 129.4 14.8 39.1 21.9 7 9 A Q E -AB 192 22A 0 185,-2.7 185,-2.7 -2,-0.5 2,-0.4 -0.897 30.2-172.6 -96.6 106.4 18.0 37.1 22.1 8 10 A A E +AB 191 21A 6 13,-2.6 13,-2.7 -2,-0.9 2,-0.3 -0.893 10.3 168.6-109.5 137.4 18.5 36.2 18.5 9 11 A E E +AB 190 20A 1 181,-2.6 181,-2.2 -2,-0.4 2,-0.3 -0.932 6.7 178.3-140.6 159.7 21.1 33.9 17.2 10 12 A F E -AB 189 19A 8 9,-1.7 9,-2.1 -2,-0.3 2,-0.4 -0.978 13.8-159.5-160.6 153.4 21.9 32.1 14.0 11 13 A Y E -AB 188 18A 0 177,-2.0 177,-2.6 -2,-0.3 2,-0.4 -0.994 14.8-161.8-135.7 134.4 24.5 29.8 12.6 12 14 A L E >> -AB 187 17A 0 5,-2.8 4,-2.3 -2,-0.4 5,-0.9 -0.968 14.2-123.3-124.2 129.9 25.0 29.4 8.8 13 15 A N E 45S+A 186 0A 27 173,-2.7 173,-2.1 -2,-0.4 -2,-0.0 -0.830 84.1 12.5-105.8 154.7 26.8 26.7 6.9 14 16 A P T 45S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 171,-0.1 -0.975 124.6 60.5 -84.0 -8.1 29.1 26.4 4.9 15 17 A D T 45S- 0 0 39 1,-0.1 -2,-0.2 2,-0.1 392,-0.2 0.850 88.7-149.2 -49.2 -33.8 29.9 30.0 5.8 16 18 A Q T <5 + 0 0 35 -4,-2.3 391,-0.6 1,-0.3 2,-0.3 0.732 47.0 144.7 67.8 21.2 30.5 28.8 9.4 17 19 A S E < +B 12 0A 33 -5,-0.9 -5,-2.8 389,-0.1 2,-0.3 -0.635 25.0 179.4 -91.5 150.0 29.3 32.3 10.3 18 20 A G E -B 11 0A 25 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.934 11.9-161.4-144.2 168.6 27.3 32.9 13.4 19 21 A E E -B 10 0A 14 -9,-2.1 -9,-1.7 -2,-0.3 2,-0.3 -0.994 7.2-172.5-153.9 150.7 25.7 35.7 15.4 20 22 A F E +B 9 0A 0 -2,-0.3 12,-2.2 12,-0.3 2,-0.3 -0.941 25.6 150.6-145.9 118.8 24.4 36.4 18.8 21 23 A M E -BC 8 31A 0 -13,-2.7 -13,-2.6 -2,-0.3 2,-0.4 -0.963 38.3-129.7-148.6 164.5 22.5 39.6 19.6 22 24 A F E -BC 7 30A 0 8,-2.2 7,-2.8 -2,-0.3 8,-0.9 -0.955 23.1-163.3-116.3 134.9 19.9 41.1 21.8 23 25 A D E -BC 6 28A 8 -17,-2.9 -17,-3.0 -2,-0.4 2,-0.5 -0.954 5.9-166.5-121.8 137.6 17.1 43.1 20.2 24 26 A F E > S-BC 5 27A 0 3,-3.4 3,-2.8 -2,-0.4 -19,-0.2 -0.979 77.2 -27.9-125.6 116.5 14.8 45.6 22.0 25 27 A D T 3 S- 0 0 52 -21,-2.3 -20,-0.1 -2,-0.5 3,-0.1 0.823 128.5 -46.9 47.7 37.4 11.7 46.7 20.2 26 28 A G T 3 S+ 0 0 17 -22,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.346 118.3 108.5 91.0 -8.7 13.6 46.2 16.9 27 29 A D E < S-C 24 0A 1 -3,-2.8 -3,-3.4 296,-0.1 2,-0.4 -0.865 72.6-114.8-106.3 141.5 16.8 47.9 17.9 28 30 A E E -C 23 0A 3 -2,-0.4 -5,-0.2 294,-0.2 3,-0.1 -0.545 24.6-176.3 -74.1 123.6 20.1 46.1 18.6 29 31 A I E - 0 0 1 -7,-2.8 13,-3.1 -2,-0.4 14,-0.5 0.923 68.0 -39.9 -81.0 -50.7 21.2 46.4 22.2 30 32 A F E -CD 22 41A 0 -8,-0.9 -8,-2.2 11,-0.3 -1,-0.4 -0.978 48.7-149.1-164.4 168.4 24.4 44.5 21.5 31 33 A H E -CD 21 40A 37 9,-1.6 9,-3.3 -2,-0.3 2,-0.5 -0.938 28.9-109.1-141.4 162.5 25.9 41.6 19.6 32 34 A V E - D 0 39A 7 -12,-2.2 2,-1.1 -2,-0.3 -12,-0.3 -0.848 11.2-145.2-102.4 127.0 28.9 39.4 20.5 33 35 A D E >> - D 0 38A 31 5,-3.0 5,-1.5 -2,-0.5 4,-1.3 -0.795 18.2-165.9 -84.0 103.9 32.2 39.6 18.6 34 36 A M T 45S+ 0 0 14 -2,-1.1 -1,-0.2 3,-0.2 372,-0.1 0.685 81.1 50.1 -67.7 -19.1 33.0 35.8 18.8 35 37 A A T 45S+ 0 0 30 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.915 121.1 30.8 -84.9 -49.0 36.6 36.3 17.8 36 38 A K T 45S- 0 0 109 2,-0.1 -2,-0.2 394,-0.0 -1,-0.1 0.589 103.9-135.4 -83.1 -10.9 37.6 39.0 20.3 37 39 A K T <5 + 0 0 5 -4,-1.3 2,-0.3 1,-0.2 18,-0.3 0.956 56.9 134.9 53.9 55.7 35.0 37.5 22.7 38 40 A E E < -D 33 0A 89 -5,-1.5 -5,-3.0 16,-0.2 2,-0.5 -0.966 61.9-114.4-135.4 151.0 33.6 40.9 23.6 39 41 A T E -D 32 0A 25 -2,-0.3 2,-0.8 13,-0.2 -7,-0.2 -0.740 27.3-154.1 -83.4 124.2 30.1 42.4 23.9 40 42 A V E -D 31 0A 45 -9,-3.3 -9,-1.6 -2,-0.5 2,-0.2 -0.853 9.4-151.5-104.7 96.4 29.7 45.0 21.3 41 43 A W E -D 30 0A 45 -2,-0.8 -11,-0.3 -11,-0.2 -12,-0.1 -0.458 12.7-137.1 -67.3 135.7 27.1 47.5 22.6 42 44 A R S S+ 0 0 52 -13,-3.1 2,-0.5 1,-0.2 -1,-0.1 0.883 99.4 29.0 -61.1 -40.0 25.1 49.2 19.8 43 45 A L S > S- 0 0 27 -14,-0.5 3,-1.9 1,-0.1 4,-0.4 -0.994 85.3-135.3-120.4 126.6 25.5 52.5 21.6 44 46 A E T > S+ 0 0 134 -2,-0.5 3,-2.3 1,-0.3 4,-0.4 0.892 101.4 67.7 -46.8 -47.7 28.6 52.8 23.7 45 47 A E T >> S+ 0 0 68 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.764 86.6 70.6 -46.1 -30.5 26.6 54.3 26.6 46 48 A F H X> S+ 0 0 0 -3,-1.9 4,-1.9 1,-0.3 3,-1.2 0.863 88.9 61.4 -57.6 -37.2 25.0 50.9 27.1 47 49 A G H <4 S+ 0 0 34 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.2 0.684 99.9 55.4 -64.4 -18.8 28.2 49.5 28.4 48 50 A R H <4 S+ 0 0 156 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.647 113.7 39.6 -86.7 -16.4 28.1 51.9 31.3 49 51 A F H << S+ 0 0 94 -3,-1.2 2,-0.3 -4,-0.6 -2,-0.2 0.658 123.7 14.6-106.8 -22.1 24.7 50.8 32.4 50 52 A A < - 0 0 13 -4,-1.9 2,-0.3 215,-0.1 -1,-0.1 -0.900 59.5-148.5-145.6 173.7 24.8 47.1 31.9 51 53 A S - 0 0 79 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.947 6.9-173.1-142.4 164.3 27.1 44.1 31.3 52 54 A F - 0 0 18 -2,-0.3 2,-1.4 -5,-0.1 -13,-0.2 -0.935 31.3-121.3-160.5 134.7 27.0 40.8 29.6 53 55 A E >> - 0 0 94 538,-0.5 3,-1.8 -2,-0.3 4,-0.5 -0.665 25.7-166.3 -82.4 94.3 29.5 37.9 29.5 54 56 A A T >4 S+ 0 0 7 -2,-1.4 3,-2.3 1,-0.3 4,-0.4 0.871 82.7 62.6 -46.5 -46.0 30.2 37.8 25.7 55 57 A Q T >> S+ 0 0 5 -18,-0.3 3,-1.3 1,-0.3 4,-0.6 0.785 88.5 68.1 -55.7 -29.9 31.8 34.4 26.1 56 58 A G H X> S+ 0 0 19 -3,-1.8 3,-0.8 1,-0.3 4,-0.8 0.799 90.6 67.2 -60.5 -24.2 28.7 32.8 27.4 57 59 A A H S+ 0 0 1 -3,-1.3 4,-2.1 -4,-0.4 -1,-0.2 0.819 93.2 61.2 -61.8 -28.7 29.7 30.9 22.3 59 61 A A H S+ 0 0 12 -4,-2.9 5,-2.7 -5,-0.3 6,-0.5 0.947 112.6 40.2 -59.3 -46.6 20.1 19.9 7.9 73 75 A K H ><5S+ 0 0 138 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.916 112.6 55.7 -68.5 -43.2 20.1 16.2 7.8 74 76 A R H 3<5S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.7 51.6 -58.8 -31.8 16.5 16.0 9.0 75 77 A S T 3<5S- 0 0 14 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.340 120.4-112.5 -87.1 7.2 15.4 18.2 6.1 76 78 A N T < 5S- 0 0 133 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.946 73.4 -54.7 59.0 48.1 17.2 15.8 3.8 77 79 A Y S - 0 0 87 3,-0.4 3,-2.1 -2,-0.4 82,-0.0 -0.997 42.7-103.9-136.8 131.9 21.7 71.0 3.8 97 99 A L T 3 S+ 0 0 74 -2,-0.4 57,-0.2 1,-0.3 55,-0.0 -0.221 105.7 12.3 -54.5 140.5 24.8 71.8 1.9 98 100 A R T 3 S+ 0 0 186 55,-1.6 -1,-0.3 1,-0.2 56,-0.1 0.544 100.3 113.9 67.5 9.0 27.9 71.9 4.1 99 101 A E S < S- 0 0 97 -3,-2.1 -3,-0.4 54,-0.1 -1,-0.2 -0.939 73.6-117.4-114.2 112.7 26.0 70.3 7.0 100 102 A P + 0 0 105 0, 0.0 2,-0.2 0, 0.0 52,-0.2 -0.112 45.0 163.7 -46.3 137.9 27.3 66.8 7.9 101 103 A N E - J 0 151C 11 50,-2.7 50,-2.5 48,-0.1 2,-0.4 -0.767 31.6-119.8-142.6-174.7 24.7 64.1 7.4 102 104 A V E - J 0 150C 43 48,-0.3 -10,-1.7 -2,-0.2 2,-0.4 -0.987 12.5-139.7-140.7 125.9 24.7 60.3 7.2 103 105 A L E -IJ 91 149C 0 46,-2.9 46,-2.2 -2,-0.4 2,-0.5 -0.731 21.3-154.7 -83.7 131.6 23.6 58.2 4.2 104 106 A I E -IJ 90 148C 1 -14,-3.9 -14,-2.1 -2,-0.4 2,-0.8 -0.946 7.9-161.8-111.6 122.9 21.7 55.2 5.5 105 107 A a E -IJ 89 147C 0 42,-3.1 42,-1.7 -2,-0.5 2,-0.8 -0.915 11.5-162.0-104.6 105.2 21.6 52.1 3.4 106 108 A F E -IJ 88 146C 41 -18,-3.6 -18,-2.3 -2,-0.8 2,-0.7 -0.824 4.3-168.8 -91.9 110.4 18.7 50.0 4.8 107 109 A I E +IJ 87 145C 0 38,-2.9 38,-2.4 -2,-0.8 2,-0.3 -0.912 21.3 177.3-102.1 117.1 19.0 46.4 3.6 108 110 A D E +I 86 0C 9 -22,-2.7 -22,-2.4 -2,-0.7 36,-0.2 -0.828 38.4 13.0-128.3 160.5 15.8 44.7 4.4 109 111 A K E S+ 0 0 78 -2,-0.3 2,-0.3 -24,-0.2 -1,-0.2 0.877 83.8 133.2 47.4 58.5 13.8 41.4 4.2 110 112 A F E - J 0 143C 0 33,-1.7 33,-2.1 -3,-0.2 -1,-0.2 -0.901 37.6-135.3-136.0 163.9 16.6 39.1 3.1 111 113 A T B S+H 83 0B 0 -28,-1.8 -28,-3.4 -2,-0.3 31,-0.1 -0.907 70.8 43.6-170.3 147.6 18.2 35.7 3.7 112 114 A P S S- 0 0 0 0, 0.0 2,-2.4 0, 0.0 -1,-0.2 0.565 85.2-117.8 -69.5 166.0 20.6 34.1 4.1 113 115 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 22,-0.1 -0.447 79.6 106.4 -75.2 71.3 22.4 36.7 6.4 114 116 A V + 0 0 30 -2,-2.4 52,-0.4 2,-0.0 2,-0.3 -0.929 38.1 152.4-149.9 124.7 25.3 37.3 4.1 115 117 A V - 0 0 19 -2,-0.3 2,-0.5 50,-0.1 50,-0.2 -0.992 35.7-142.3-154.9 150.0 25.8 40.5 2.1 116 118 A N E -M 164 0D 90 48,-2.2 48,-3.1 -2,-0.3 2,-0.5 -0.980 25.2-172.5-115.0 120.6 28.5 42.6 0.5 117 119 A V E +M 163 0D 27 -2,-0.5 2,-0.4 46,-0.2 46,-0.2 -0.970 5.6 177.1-120.6 125.9 27.7 46.3 0.9 118 120 A T E -M 162 0D 40 44,-2.7 44,-3.8 -2,-0.5 2,-0.5 -0.957 21.0-140.3-127.6 144.8 29.7 49.0 -0.8 119 121 A W E -MN 161 126D 8 7,-0.5 7,-2.7 -2,-0.4 2,-0.4 -0.889 17.0-163.0-103.6 134.3 29.3 52.7 -0.9 120 122 A L E -MN 160 125D 15 40,-3.0 40,-2.3 -2,-0.5 2,-0.5 -0.968 7.3-169.5-120.5 132.3 30.0 54.5 -4.2 121 123 A R E > S-MN 159 124D 96 3,-3.5 3,-2.1 -2,-0.4 38,-0.2 -0.991 83.4 -14.2-120.3 118.6 30.6 58.2 -4.4 122 124 A N T 3 S- 0 0 70 36,-3.3 -1,-0.2 -2,-0.5 37,-0.1 0.899 131.7 -53.5 54.5 42.3 30.7 59.4 -8.0 123 125 A G T 3 S+ 0 0 54 35,-0.3 -1,-0.3 1,-0.2 36,-0.1 0.361 119.5 105.2 77.9 -6.1 31.0 55.8 -9.1 124 126 A K E < S-N 121 0D 153 -3,-2.1 -3,-3.5 1,-0.0 -1,-0.2 -0.860 77.8-102.9-110.7 144.6 34.0 55.2 -6.9 125 127 A P E -N 120 0D 91 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.344 34.7-163.2 -63.0 138.8 34.0 53.1 -3.7 126 128 A V E +N 119 0D 13 -7,-2.7 -7,-0.5 1,-0.1 0, 0.0 -0.995 24.0 163.1-128.4 130.3 34.2 55.1 -0.5 127 129 A T > + 0 0 111 -2,-0.4 3,-2.5 -9,-0.1 -1,-0.1 0.541 30.8 132.3-117.8 -17.0 35.1 53.7 2.9 128 130 A T T 3 S- 0 0 114 1,-0.3 -2,-0.0 21,-0.1 0, 0.0 -0.135 91.0 -20.6 -45.7 112.2 35.8 56.9 4.9 129 131 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 20,-0.1 -2,-0.0 0.608 94.5 154.1 62.7 15.4 34.0 56.7 8.2 130 132 A V < + 0 0 57 -3,-2.5 2,-0.3 19,-0.2 19,-0.2 -0.282 15.6 175.5 -71.3 161.6 31.6 54.1 7.0 131 133 A S E -K 148 0C 63 17,-1.9 17,-3.6 2,-0.0 2,-0.3 -0.961 9.0-167.1-157.5 166.8 30.0 51.7 9.6 132 134 A E E -K 147 0C 120 -2,-0.3 15,-0.2 15,-0.3 2,-0.2 -0.955 18.1-122.0-153.7 169.3 27.4 49.0 9.7 133 135 A T - 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