==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 13-NOV-10 3PL6 . COMPND 2 MOLECULE: MHC CLASS II HLA-DQ-ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.K.SETHI,K.W.WUCHERPFENNIG . 811 6 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 294 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 85 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 0 2 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 3 9 9 7 3 10 3 4 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 . 1 1 3 5 1 1 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 -1 A D 0 0 212 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.1 47.1 66.9 -51.0 2 0 A I - 0 0 34 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.897 360.0-155.0-109.4 125.4 48.9 63.5 -50.7 3 1 A V + 0 0 132 -2,-0.5 2,-0.3 194,-0.1 3,-0.1 -0.844 31.0 143.4 -99.9 130.2 51.8 62.6 -52.9 4 2 A A - 0 0 32 -2,-0.5 195,-0.2 1,-0.1 3,-0.1 -0.977 55.2-123.2-157.5 159.9 52.4 58.9 -53.5 5 3 A D S S+ 0 0 93 193,-2.0 2,-0.3 -2,-0.3 194,-0.2 0.886 98.1 10.4 -74.8 -40.0 53.5 56.4 -56.2 6 4 A H E -A 198 0A 43 192,-2.1 192,-3.1 -3,-0.1 2,-0.4 -0.970 62.5-162.6-139.3 153.3 50.3 54.4 -55.9 7 5 A V E -A 197 0A 46 -2,-0.3 22,-2.6 190,-0.2 23,-0.4 -0.995 8.0-167.4-140.2 131.7 46.9 54.7 -54.2 8 6 A A E -AB 196 28A 0 188,-2.7 188,-2.4 -2,-0.4 2,-0.7 -0.901 16.7-150.2-119.8 148.7 44.4 52.0 -53.5 9 7 A S E +AB 195 27A 8 18,-3.6 18,-2.3 -2,-0.4 2,-1.2 -0.876 20.9 170.8-114.8 90.5 40.8 52.2 -52.4 10 8 A C E S+ B 0 26A 0 184,-1.2 555,-1.6 -2,-0.7 16,-0.2 -0.547 79.4 29.3 -98.7 64.7 40.3 49.0 -50.5 11 9 A G E + 0 0 0 -2,-1.2 183,-3.2 14,-0.6 2,-0.9 0.342 59.4 168.7 145.5 71.8 37.0 50.3 -49.4 12 10 A V E -AB 193 25A 2 13,-2.2 13,-1.4 -3,-0.4 2,-0.6 -0.928 26.3-171.8-101.1 103.5 35.0 52.7 -51.6 13 11 A N E -AB 192 24A 1 179,-3.1 179,-2.4 -2,-0.9 2,-0.4 -0.883 7.4-179.3-106.1 114.3 31.7 52.5 -49.7 14 12 A L E +AB 191 23A 4 9,-2.8 9,-2.4 -2,-0.6 2,-0.3 -0.908 9.4 161.8-116.7 136.9 28.6 54.1 -51.1 15 13 A Y E -AB 190 22A 27 175,-2.1 175,-2.9 -2,-0.4 2,-0.3 -0.924 10.2-177.9-151.5 125.9 25.1 54.3 -49.7 16 14 A Q E > -AB 189 21A 15 5,-3.0 5,-1.9 -2,-0.3 173,-0.2 -0.938 34.3-126.5-129.1 152.8 22.3 56.6 -50.6 17 15 A F T 5S+ 0 0 103 171,-2.9 2,-0.9 -2,-0.3 172,-0.1 0.796 87.2 90.6 -61.3 -35.1 18.8 57.3 -49.5 18 16 A Y T 5S- 0 0 100 170,-0.3 -2,-0.1 1,-0.2 -1,-0.1 -0.554 109.9 -7.1 -71.5 104.1 17.3 56.9 -53.0 19 17 A G T 5S- 0 0 65 -2,-0.9 -1,-0.2 1,-0.1 2,-0.2 -0.576 104.7-102.7 145.5 -76.7 16.4 53.2 -53.3 20 18 A P T 5S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.655 76.7 139.8 -75.0 174.7 17.7 52.9 -50.7 21 19 A S E < -B 16 0A 60 -5,-1.9 -5,-3.0 -2,-0.2 2,-0.2 -0.956 29.4-162.5-176.8 158.2 21.0 51.3 -52.0 22 20 A G E -B 15 0A 17 -2,-0.3 2,-0.3 -7,-0.3 -7,-0.3 -0.790 8.8-143.2-140.5-178.6 24.7 51.0 -51.9 23 21 A Q E -B 14 0A 29 -9,-2.4 -9,-2.8 -2,-0.2 2,-0.4 -0.992 5.0-165.7-150.9 143.1 27.9 49.9 -53.6 24 22 A Y E +B 13 0A 0 12,-0.4 12,-2.0 -2,-0.3 2,-0.3 -0.992 23.9 148.4-135.0 125.7 31.2 48.3 -52.6 25 23 A T E -BC 12 35A 0 -13,-1.4 -13,-2.2 -2,-0.4 -14,-0.6 -0.971 35.4-134.0-151.3 159.8 34.3 48.2 -54.7 26 24 A H E -BC 10 34A 0 8,-1.8 7,-2.9 -2,-0.3 8,-0.9 -0.958 22.7-165.5-119.1 139.8 38.1 48.2 -54.5 27 25 A E E -BC 9 32A 6 -18,-2.3 -18,-3.6 -2,-0.4 2,-0.4 -0.947 10.1-164.6-128.3 147.2 40.2 50.4 -56.7 28 26 A F E > S-BC 8 31A 0 3,-2.6 3,-2.6 -2,-0.3 -20,-0.2 -0.996 79.1 -20.2-131.7 127.2 43.9 50.5 -57.5 29 27 A D T 3 S- 0 0 38 -22,-2.6 -21,-0.1 -2,-0.4 -1,-0.1 0.855 130.8 -49.7 42.5 41.6 45.5 53.5 -59.2 30 28 A G T 3 S+ 0 0 20 -23,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.554 115.4 110.5 81.4 5.6 42.1 54.5 -60.3 31 29 A D E < S-C 28 0A 4 -3,-2.6 -3,-2.6 295,-0.1 2,-0.5 -0.907 71.6-108.0-116.8 147.6 40.9 51.2 -61.8 32 30 A E E +C 27 0A 6 -2,-0.4 -5,-0.2 293,-0.3 15,-0.1 -0.579 28.6 179.4 -76.5 120.9 38.3 48.9 -60.5 33 31 A Q E - 0 0 2 -7,-2.9 13,-0.9 -2,-0.5 14,-0.6 0.914 65.6 -39.7 -81.6 -51.9 39.6 45.6 -59.0 34 32 A F E -CD 26 45A 0 -8,-0.9 -8,-1.8 11,-0.2 -1,-0.3 -0.981 46.7-144.8-165.4 171.2 36.1 44.2 -58.1 35 33 A Y E -CD 25 44A 62 9,-1.7 9,-3.4 -2,-0.3 2,-0.6 -0.959 24.2-120.2-142.0 156.7 32.7 45.0 -56.7 36 34 A V E - D 0 43A 4 -12,-2.0 2,-0.8 -2,-0.3 -12,-0.4 -0.916 19.3-134.6-105.6 118.9 30.4 43.0 -54.6 37 35 A D E >> - D 0 42A 44 5,-2.3 4,-1.3 -2,-0.6 5,-1.2 -0.600 20.6-162.4 -66.5 108.3 27.0 42.2 -56.1 38 36 A L T 45S+ 0 0 51 -2,-0.8 -1,-0.2 2,-0.2 -15,-0.1 0.849 82.7 50.6 -68.0 -32.5 25.0 43.1 -53.0 39 37 A E T 45S+ 0 0 92 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.921 120.3 32.6 -72.0 -44.4 21.9 41.3 -54.2 40 38 A R T 45S- 0 0 179 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.581 101.0-132.3 -87.8 -10.6 23.6 37.9 -55.1 41 39 A K T <5 + 0 0 99 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.941 61.3 129.5 58.4 49.9 26.2 38.3 -52.3 42 40 A E E < -D 37 0A 24 -5,-1.2 -5,-2.3 16,-0.1 2,-0.6 -0.977 62.6-117.9-134.4 147.3 29.0 37.4 -54.6 43 41 A T E -D 36 0A 31 -2,-0.3 2,-0.8 -7,-0.2 -7,-0.2 -0.759 27.6-157.6 -85.8 121.9 32.4 39.1 -55.3 44 42 A A E -D 35 0A 26 -9,-3.4 -9,-1.7 -2,-0.6 2,-0.6 -0.831 1.8-160.7-105.3 101.6 32.5 40.2 -59.0 45 43 A W E -D 34 0A 58 -2,-0.8 -11,-0.2 -11,-0.2 6,-0.1 -0.691 6.7-154.2 -80.8 122.1 36.1 40.6 -60.3 46 44 A R S S+ 0 0 80 -13,-0.9 -1,-0.2 -2,-0.6 -12,-0.1 0.851 82.2 20.2 -64.4 -37.5 36.0 42.8 -63.4 47 45 A W > - 0 0 69 -14,-0.6 3,-3.4 -15,-0.1 -1,-0.2 -0.852 64.4-151.4-141.3 103.0 39.2 41.4 -64.9 48 46 A P T 3 S+ 0 0 100 0, 0.0 5,-0.2 0, 0.0 -2,-0.0 0.343 100.4 59.2 -53.4 7.6 40.7 38.0 -63.8 49 47 A E T 3 S+ 0 0 79 -2,-0.2 3,-0.1 3,-0.1 225,-0.1 0.559 106.3 45.4-106.8 -22.2 44.1 39.4 -64.7 50 48 A F S < S+ 0 0 2 -3,-3.4 2,-0.3 1,-0.2 -4,-0.1 0.074 92.8 90.8-104.3 15.0 43.7 42.3 -62.2 51 49 A S - 0 0 7 -4,-0.2 2,-1.6 -6,-0.1 -1,-0.2 -0.471 64.0-169.3-108.4 54.3 42.5 39.7 -59.7 52 50 A K - 0 0 85 -2,-0.3 218,-0.1 215,-0.2 219,-0.1 -0.253 48.4 -98.2 -51.0 86.7 45.9 38.9 -58.2 53 51 A F S S+ 0 0 160 -2,-1.6 2,-0.3 -5,-0.2 -1,-0.2 0.314 79.8 124.8 -23.0 111.5 44.3 36.0 -56.5 54 52 A G - 0 0 8 -3,-0.1 507,-0.3 508,-0.0 2,-0.1 -0.782 57.5-121.0-167.1 128.6 43.5 36.7 -52.9 55 53 A G B -h 561 0B 41 505,-3.0 507,-3.4 504,-0.6 2,-0.4 -0.428 16.7-155.0 -83.5 161.5 39.8 36.0 -52.1 56 54 A F - 0 0 12 505,-0.2 -13,-0.1 -2,-0.1 507,-0.1 -0.917 15.9-135.0-136.6 110.1 37.4 38.5 -50.7 57 55 A D > - 0 0 56 -2,-0.4 3,-1.9 505,-0.3 4,-0.4 -0.482 10.6-142.8 -65.6 123.2 34.4 37.3 -48.6 58 56 A P T >> S+ 0 0 28 0, 0.0 4,-1.5 0, 0.0 3,-1.1 0.746 96.5 73.4 -56.2 -25.8 31.3 39.1 -49.9 59 57 A Q H 3> S+ 0 0 19 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.794 83.9 64.8 -61.8 -29.9 30.2 39.2 -46.3 60 58 A G H <> S+ 0 0 0 -3,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.805 105.8 44.8 -64.6 -27.1 32.8 41.9 -45.5 61 59 A A H <> S+ 0 0 0 -3,-1.1 4,-1.6 -4,-0.4 -2,-0.2 0.850 109.3 51.9 -85.6 -37.9 30.9 44.3 -47.8 62 60 A L H X S+ 0 0 27 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.908 111.6 50.1 -62.6 -42.0 27.3 43.6 -46.6 63 61 A R H X S+ 0 0 6 -4,-2.1 4,-1.6 1,-0.2 3,-0.2 0.907 110.8 48.5 -60.6 -45.4 28.6 44.2 -43.1 64 62 A N H X S+ 0 0 0 -4,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.769 107.5 56.2 -69.1 -24.9 30.1 47.5 -44.2 65 63 A M H X S+ 0 0 13 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.789 102.7 55.9 -76.9 -28.0 26.9 48.5 -46.0 66 64 A A H X S+ 0 0 6 -4,-1.4 4,-2.7 -3,-0.2 561,-0.2 0.951 109.2 45.3 -66.3 -49.3 25.0 48.0 -42.8 67 65 A V H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 503,-0.3 0.894 113.7 50.6 -61.2 -40.3 27.3 50.5 -41.0 68 66 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.951 110.1 49.5 -62.6 -48.1 27.0 52.8 -44.0 69 67 A K H X S+ 0 0 74 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.907 115.2 43.9 -56.7 -45.1 23.2 52.6 -43.9 70 68 A H H X S+ 0 0 16 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.947 113.5 51.0 -64.1 -50.8 23.1 53.3 -40.2 71 69 A N H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.792 105.2 56.5 -59.2 -33.1 25.7 56.1 -40.5 72 70 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.945 106.1 49.6 -65.4 -47.5 23.7 57.8 -43.3 73 71 A N H X S+ 0 0 69 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.900 111.6 50.0 -57.8 -42.6 20.6 58.1 -41.2 74 72 A I H >X S+ 0 0 23 -4,-1.9 4,-2.3 1,-0.2 3,-0.6 0.977 111.9 46.1 -61.0 -54.8 22.6 59.6 -38.4 75 73 A M H 3X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.823 103.8 63.1 -59.7 -32.6 24.3 62.2 -40.6 76 74 A I H 3<>S+ 0 0 20 -4,-2.4 5,-3.7 2,-0.2 6,-0.3 0.923 109.3 41.1 -57.7 -43.9 20.9 63.1 -42.2 77 75 A K H X<5S+ 0 0 154 -4,-1.4 3,-2.3 -3,-0.6 -2,-0.2 0.957 112.9 53.5 -67.0 -51.2 19.7 64.3 -38.8 78 76 A R H 3<5S+ 0 0 65 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.762 113.0 45.1 -55.3 -27.4 23.0 65.9 -38.0 79 77 A Y T ><5S- 0 0 19 -4,-2.0 3,-1.6 -5,-0.2 -1,-0.3 0.024 116.2-112.9-105.9 27.0 22.8 67.8 -41.3 80 78 A N T < 5 - 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