==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 01-MAR-11 3QXA . COMPND 2 MOLECULE: HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DR ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.A.PAINTER,L.J.STERN . 764 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 287 37.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 8 1.0 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 . 109 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 0 1 3 0 0 0 0 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 7 6 5 1 13 0 2 4 2 2 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 2 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 4 A E 0 0 133 0, 0.0 2,-0.3 0, 0.0 197,-0.2 0.000 360.0 360.0 360.0 138.5 -37.5 -7.3 8.9 2 5 A H E -A 197 0A 55 195,-2.1 195,-3.2 198,-0.2 2,-0.4 -0.953 360.0-154.5-127.6 153.4 -35.4 -6.6 5.8 3 6 A V E -A 196 0A 26 -2,-0.3 21,-2.3 193,-0.2 2,-0.5 -0.975 8.9-169.1-135.5 123.6 -33.7 -3.3 4.9 4 7 A I E -AB 195 23A 7 191,-2.1 191,-3.0 -2,-0.4 2,-0.5 -0.947 17.8-166.4-105.2 122.9 -32.7 -2.0 1.5 5 8 A I E -AB 194 22A 24 17,-2.6 17,-2.6 -2,-0.5 2,-0.8 -0.941 19.3-157.6-118.2 124.2 -30.6 1.1 1.7 6 9 A Q E -AB 193 21A 0 187,-2.3 187,-2.5 -2,-0.5 2,-0.5 -0.872 27.8-168.8 -90.8 108.2 -29.6 3.5 -1.1 7 10 A A E +AB 192 20A 6 13,-2.9 13,-2.4 -2,-0.8 2,-0.3 -0.889 14.1 167.8-112.0 123.9 -26.5 5.1 0.3 8 11 A E E +AB 191 19A 1 183,-2.9 183,-3.2 -2,-0.5 2,-0.3 -0.951 2.7 171.4-127.2 148.9 -24.7 8.2 -1.0 9 12 A F E -AB 190 18A 7 9,-1.6 9,-1.8 -2,-0.3 2,-0.4 -0.990 14.7-160.2-150.9 154.6 -21.9 10.4 0.3 10 13 A Y E -AB 189 17A 18 179,-2.6 179,-2.1 -2,-0.3 2,-0.5 -0.998 10.6-158.5-136.6 137.1 -19.7 13.2 -0.8 11 14 A L E >> -AB 188 16A 0 5,-2.4 4,-2.2 -2,-0.4 5,-1.4 -0.948 16.3-122.7-122.4 127.3 -16.4 14.3 0.8 12 15 A N E 45S+A 187 0A 18 175,-2.3 175,-2.8 -2,-0.5 -2,-0.0 -0.889 82.4 7.2-114.9 152.2 -14.6 17.6 0.6 13 16 A P T 45S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 173,-0.1 -0.998 126.8 59.9 -82.4 -1.0 -12.0 18.7 -0.2 14 17 A D T 45S- 0 0 49 1,-0.1 -2,-0.2 2,-0.1 172,-0.0 0.784 91.2-142.5 -53.4 -30.9 -11.2 15.2 -1.5 15 18 A Q T <5 + 0 0 123 -4,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.898 41.1 160.0 62.9 42.6 -14.1 15.4 -3.9 16 19 A S E < -B 11 0A 47 -5,-1.4 -5,-2.4 2,-0.0 2,-0.3 -0.824 17.3-172.6 -96.6 133.3 -14.9 11.7 -3.3 17 20 A G E -B 10 0A 25 -2,-0.4 2,-0.3 -7,-0.2 16,-0.2 -0.928 6.2-174.5-124.9 150.5 -18.3 10.4 -4.2 18 21 A E E -B 9 0A 17 -9,-1.8 -9,-1.6 -2,-0.3 2,-0.4 -0.991 8.5-178.0-146.2 138.3 -20.1 7.1 -3.6 19 22 A F E +B 8 0A 1 12,-0.4 12,-2.3 -2,-0.3 2,-0.3 -0.967 23.3 150.3-135.2 117.1 -23.4 5.6 -4.7 20 23 A M E -BC 7 30A 0 -13,-2.4 -13,-2.9 -2,-0.4 2,-0.4 -0.982 37.2-132.1-146.1 155.0 -24.3 2.1 -3.5 21 24 A F E -BC 6 29A 0 8,-2.6 7,-2.5 -2,-0.3 8,-0.9 -0.890 25.0-161.6-107.4 143.0 -27.3 -0.1 -2.7 22 25 A D E -BC 5 27A 8 -17,-2.6 -17,-2.6 -2,-0.4 2,-0.4 -0.939 11.4-166.9-128.3 144.5 -27.3 -2.2 0.5 23 26 A F E > S-BC 4 26A 1 3,-3.3 3,-2.1 -2,-0.4 -19,-0.2 -0.934 76.3 -31.1-134.5 112.4 -29.3 -5.2 1.7 24 27 A D T 3 S- 0 0 62 -21,-2.3 -20,-0.1 -2,-0.4 3,-0.1 0.842 128.7 -43.2 48.9 38.2 -29.3 -6.3 5.3 25 28 A G T 3 S+ 0 0 34 -22,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.385 119.6 105.8 94.5 -3.0 -25.7 -5.0 5.6 26 29 A D E < S-C 23 0A 1 -3,-2.1 -3,-3.3 306,-0.1 2,-0.4 -0.885 71.9-113.7-114.0 143.8 -24.4 -6.4 2.3 27 30 A E E -C 22 0A 8 -2,-0.4 -5,-0.2 304,-0.2 15,-0.1 -0.572 22.9-176.7 -76.3 126.6 -23.7 -4.5 -0.9 28 31 A I E - 0 0 2 -7,-2.5 13,-2.0 1,-0.4 14,-0.5 0.878 68.6 -42.2 -81.7 -46.2 -25.9 -5.2 -3.9 29 32 A F E -CD 21 40A 0 -8,-0.9 -8,-2.6 11,-0.3 -1,-0.4 -0.970 49.2-148.0-172.1 164.1 -23.9 -2.9 -6.1 30 33 A H E -CD 20 39A 33 9,-2.1 9,-2.8 -2,-0.3 2,-0.6 -0.946 25.1-113.7-138.1 161.8 -22.1 0.4 -6.5 31 34 A V E - D 0 38A 5 -12,-2.3 2,-0.8 -2,-0.3 -12,-0.4 -0.872 19.9-135.4-101.8 121.2 -21.6 2.9 -9.3 32 35 A D E >> - D 0 37A 40 5,-2.3 4,-2.1 -2,-0.6 5,-1.0 -0.644 16.4-157.3 -71.2 110.2 -18.0 3.4 -10.5 33 36 A M T 45S+ 0 0 52 -2,-0.8 -1,-0.2 -16,-0.2 -15,-0.1 0.851 86.6 47.7 -60.9 -38.5 -18.0 7.2 -10.9 34 37 A A T 45S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.926 120.7 33.8 -71.7 -47.0 -15.1 7.3 -13.4 35 38 A K T 45S- 0 0 156 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.634 99.1-135.0 -85.1 -16.0 -16.4 4.6 -15.8 36 39 A K T <5 + 0 0 119 -4,-2.1 2,-0.3 1,-0.2 18,-0.2 0.908 60.7 122.2 63.8 44.3 -20.0 5.5 -15.2 37 40 A E E < -D 32 0A 105 -5,-1.0 -5,-2.3 16,-0.1 2,-0.3 -0.973 66.7-104.3-139.4 154.1 -21.2 1.9 -14.9 38 41 A T E -D 31 0A 14 -2,-0.3 2,-0.5 13,-0.3 -7,-0.2 -0.566 28.8-163.4 -74.3 131.3 -22.9 -0.4 -12.4 39 42 A V E -D 30 0A 52 -9,-2.8 -9,-2.1 -2,-0.3 2,-0.2 -0.937 9.2-150.0-119.6 108.4 -20.7 -2.8 -10.5 40 43 A W E -D 29 0A 23 -2,-0.5 -11,-0.3 -11,-0.2 3,-0.2 -0.549 12.8-137.7 -79.4 138.9 -22.5 -5.7 -8.9 41 44 A R S S+ 0 0 52 -13,-2.0 2,-0.5 1,-0.3 -1,-0.1 0.949 102.2 29.9 -59.6 -52.3 -21.0 -7.2 -5.7 42 45 A L S > S- 0 0 29 -14,-0.5 3,-2.5 -15,-0.1 4,-0.4 -0.965 85.0-141.5-106.9 121.8 -21.8 -10.7 -6.9 43 46 A E G > S+ 0 0 138 -2,-0.5 3,-1.0 1,-0.3 4,-0.2 0.732 98.1 69.3 -57.7 -25.0 -21.7 -10.7 -10.8 44 47 A E G > S+ 0 0 75 1,-0.2 3,-1.8 2,-0.2 4,-0.3 0.808 86.3 70.1 -60.1 -29.9 -24.7 -13.1 -10.8 45 48 A F G X> S+ 0 0 0 -3,-2.5 3,-1.5 1,-0.3 4,-1.0 0.843 87.5 63.8 -56.3 -36.2 -26.7 -10.2 -9.6 46 49 A G G <4 S+ 0 0 33 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.551 92.8 63.1 -69.8 -7.6 -26.4 -8.5 -13.0 47 50 A R G <4 S+ 0 0 181 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.600 111.3 34.8 -90.0 -13.4 -28.3 -11.2 -14.7 48 51 A F T <4 S+ 0 0 95 -3,-1.5 2,-0.3 -4,-0.3 696,-0.2 0.479 124.4 26.2-119.0 -10.0 -31.5 -10.6 -12.8 49 52 A A < - 0 0 5 -4,-1.0 2,-0.3 694,-0.1 696,-0.2 -0.978 57.4-162.0-151.9 160.7 -31.4 -6.8 -12.4 50 53 A S B -h 745 0B 60 694,-0.8 696,-3.1 -2,-0.3 2,-0.3 -0.947 3.9-157.7-141.4 161.6 -30.0 -3.7 -14.0 51 54 A F - 0 0 15 -2,-0.3 2,-1.9 694,-0.2 -13,-0.3 -0.971 25.3-126.4-146.4 129.9 -29.4 -0.1 -13.0 52 55 A E > - 0 0 125 694,-0.5 3,-2.4 -2,-0.3 4,-0.4 -0.544 28.0-170.2 -72.2 85.2 -29.0 3.1 -15.1 53 56 A A T >> S+ 0 0 0 -2,-1.9 3,-1.8 1,-0.3 4,-0.7 0.780 75.2 75.1 -48.9 -32.6 -25.7 4.1 -13.5 54 57 A Q H 3> S+ 0 0 105 1,-0.3 4,-0.8 -18,-0.2 3,-0.4 0.751 87.5 60.8 -56.0 -26.8 -25.9 7.5 -15.2 55 58 A G H <> S+ 0 0 7 -3,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.772 92.3 65.7 -72.1 -26.5 -28.5 8.6 -12.7 56 59 A A H <> S+ 0 0 0 -3,-1.8 4,-2.3 -4,-0.4 -1,-0.2 0.831 98.1 54.0 -64.7 -33.0 -26.1 8.1 -9.8 57 60 A L H X S+ 0 0 49 -4,-0.7 4,-1.7 -3,-0.4 -1,-0.2 0.837 103.1 55.4 -71.4 -34.8 -23.9 10.9 -11.1 58 61 A A H X S+ 0 0 58 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.910 110.7 47.0 -62.7 -42.1 -26.9 13.4 -11.2 59 62 A N H X S+ 0 0 5 -4,-1.6 4,-2.8 2,-0.2 3,-0.2 0.964 107.9 53.0 -61.8 -55.5 -27.4 12.6 -7.5 60 63 A I H X S+ 0 0 15 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.840 105.6 57.6 -51.0 -36.3 -23.8 13.0 -6.5 61 64 A A H X S+ 0 0 60 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.964 108.9 43.3 -57.9 -54.0 -23.9 16.4 -8.2 62 65 A V H X S+ 0 0 37 -4,-1.6 4,-2.7 -3,-0.2 -2,-0.2 0.901 112.6 54.4 -57.8 -43.3 -26.7 17.5 -6.0 63 66 A D H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.923 106.0 51.4 -57.1 -47.8 -25.0 16.0 -3.0 64 67 A K H X S+ 0 0 55 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.911 111.6 47.1 -56.8 -45.5 -21.8 17.9 -3.7 65 68 A A H X S+ 0 0 38 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.912 112.6 49.5 -62.7 -44.0 -23.8 21.2 -3.8 66 69 A N H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.844 106.4 56.8 -64.7 -35.4 -25.7 20.3 -0.7 67 70 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 -1,-0.2 0.931 107.7 47.1 -60.2 -47.0 -22.4 19.5 1.2 68 71 A E H X S+ 0 0 88 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.831 111.6 50.7 -67.9 -33.6 -21.0 23.0 0.4 69 72 A I H X S+ 0 0 39 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.932 115.1 43.8 -64.5 -46.3 -24.3 24.6 1.6 70 73 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.904 107.7 58.1 -65.1 -44.6 -24.1 22.6 4.8 71 74 A T H <>S+ 0 0 7 -4,-3.4 5,-2.8 1,-0.2 6,-0.5 0.899 112.6 41.3 -52.0 -43.9 -20.4 23.2 5.3 72 75 A K H ><5S+ 0 0 130 -4,-1.5 3,-2.6 3,-0.2 -2,-0.2 0.926 110.0 55.5 -72.5 -46.8 -21.1 26.9 5.3 73 76 A R H 3<5S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 106.6 53.0 -55.9 -32.2 -24.2 26.8 7.4 74 77 A S T 3<5S- 0 0 14 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.350 120.0-113.3 -83.6 6.2 -22.3 25.0 10.1 75 78 A N T < 5S- 0 0 132 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.881 72.6 -56.3 57.9 39.5 -19.7 27.8 10.0 76 79 A Y S - 0 0 116 3,-0.4 3,-3.0 -2,-0.4 0, 0.0 -0.992 41.0-101.0-124.0 121.8 -5.5 -26.2 6.9 96 99 A L T 3 S- 0 0 84 -2,-0.4 57,-0.2 1,-0.3 55,-0.0 -0.077 103.9 -0.7 -43.8 126.6 -1.8 -26.1 6.0 97 100 A R T 3 S+ 0 0 133 55,-2.8 -1,-0.3 1,-0.2 56,-0.1 0.483 102.7 125.9 73.0 2.8 -1.3 -25.7 2.3 98 101 A E S < S- 0 0 105 -3,-3.0 -3,-0.4 1,-0.1 -1,-0.2 -0.849 71.6 -98.2 -99.5 127.4 -5.1 -25.7 1.7 99 102 A P + 0 0 91 0, 0.0 2,-0.2 0, 0.0 52,-0.2 -0.004 58.4 150.1 -44.0 135.0 -6.5 -22.7 -0.2 100 103 A N E - K 0 150D 10 50,-2.1 50,-2.7 -6,-0.1 2,-0.4 -0.859 37.3-118.9-153.4-175.5 -7.9 -19.9 1.9 101 104 A V E - K 0 149D 33 48,-0.3 -10,-1.7 -2,-0.2 2,-0.5 -0.979 12.6-141.9-142.4 126.5 -8.6 -16.2 2.1 102 105 A L E -JK 90 148D 0 46,-2.9 46,-1.7 -2,-0.4 2,-0.6 -0.749 18.5-154.3 -85.2 129.8 -7.3 -13.5 4.6 103 106 A I E -JK 89 147D 3 -14,-3.9 -14,-1.7 -2,-0.5 2,-0.9 -0.910 7.1-161.4-109.8 111.4 -9.9 -10.9 5.4 104 107 A a E -JK 88 146D 0 42,-3.1 42,-2.0 -2,-0.6 2,-0.8 -0.821 15.9-163.7 -87.4 106.4 -8.8 -7.5 6.5 105 108 A F E -JK 87 145D 27 -18,-3.6 -18,-1.9 -2,-0.9 2,-0.5 -0.826 6.2-170.8 -99.8 107.8 -11.9 -6.1 8.2 106 109 A I E +JK 86 144D 0 38,-2.6 38,-2.7 -2,-0.8 2,-0.3 -0.856 18.8 175.0-102.5 127.0 -11.8 -2.3 8.7 107 110 A D E +JK 85 143D 8 -22,-2.5 -22,-2.8 -2,-0.5 36,-0.2 -0.923 37.8 15.1-142.2 151.8 -14.6 -1.0 10.9 108 111 A K E S+ 0 0 40 34,-0.8 2,-0.3 -2,-0.3 -1,-0.2 0.879 82.3 133.8 60.3 48.7 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-6.4 2.6 119 122 A L E -NO 159 124E 12 40,-3.0 40,-2.3 -2,-0.3 2,-0.5 -0.986 8.9-171.2-123.9 124.4 2.3 -7.4 3.7 120 123 A R E > S-NO 158 123E 76 3,-3.3 3,-1.6 -2,-0.5 38,-0.2 -0.969 84.0 -15.5-110.9 119.9 3.7 -11.0 3.5 121 124 A N T 3 S- 0 0 68 36,-2.7 -1,-0.2 -2,-0.5 37,-0.1 0.862 133.2 -50.9 53.7 37.0 7.0 -11.4 5.3 122 125 A G T 3 S+ 0 0 40 35,-0.3 -1,-0.3 1,-0.2 570,-0.1 0.476 118.9 108.0 84.8 4.0 7.3 -7.6 5.3 123 126 A K E < S-O 120 0E 135 -3,-1.6 -3,-3.3 1,-0.0 -1,-0.2 -0.945 72.1-107.2-122.7 137.1 6.6 -7.2 1.6 124 127 A P E -O 119 0E 87 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.084 28.6-155.1 -53.2 151.3 3.5 -5.8 -0.2 125 128 A V E +O 118 0E 25 -7,-1.3 -7,-0.6 1,-0.1 3,-0.0 -1.000 27.4 156.0-133.5 135.6 1.2 -8.1 -2.1 126 129 A T + 0 0 107 -2,-0.4 2,-0.5 -9,-0.1 3,-0.5 0.562 42.0 105.0-128.5 -25.2 -1.1 -7.1 -5.0 127 130 A T S S- 0 0 115 1,-0.2 3,-0.1 21,-0.0 -1,-0.0 -0.512 99.1 -4.9 -73.2 114.0 -1.7 -10.3 -6.9 128 131 A G S S+ 0 0 59 -2,-0.5 -1,-0.2 1,-0.3 22,-0.0 0.073 98.2 130.6 97.3 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