==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/GENE REGULATION 05-SEP-05 2AXG . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B*3501 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.E.TYNAN,D.ELHASSEN,A.W.PURCELL,J.M.BURROWS,N.A.BORG, . 385 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 64.9 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 . 134 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 0.3 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 . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 2 7 2 2 0 4 0 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 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 1 A G 0 0 65 0, 0.0 103,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-169.5 7.2 27.6 31.1 2 2 A S + 0 0 46 101,-1.7 2,-0.3 1,-0.3 102,-0.2 0.513 360.0 40.5-137.2 -13.9 4.9 24.6 30.9 3 3 A H E +A 103 0A 31 100,-1.6 100,-3.4 26,-0.1 2,-0.3 -0.974 50.0 174.4-143.1 156.2 6.5 21.9 28.7 4 4 A S E -A 102 0A 27 -2,-0.3 25,-2.3 98,-0.2 2,-0.4 -0.989 18.0-147.3-154.0 160.4 9.8 20.2 27.9 5 5 A M E +AB 101 28A 1 96,-1.9 96,-0.9 -2,-0.3 2,-0.4 -0.990 22.0 177.4-129.8 136.5 11.5 17.4 25.9 6 6 A R E -AB 100 27A 38 21,-2.1 21,-2.9 -2,-0.4 2,-0.4 -0.999 17.8-157.8-142.7 144.0 14.5 15.5 27.2 7 7 A Y E -AB 99 26A 0 92,-2.3 92,-1.7 -2,-0.4 2,-0.5 -0.957 12.8-157.9-118.5 139.3 16.6 12.6 25.9 8 8 A F E -AB 98 25A 19 17,-2.7 17,-1.5 -2,-0.4 2,-0.4 -0.975 6.8-169.2-124.0 118.2 18.6 10.6 28.4 9 9 A Y E -AB 97 24A 1 88,-3.0 88,-2.2 -2,-0.5 2,-0.4 -0.891 4.3-176.5-108.0 133.4 21.6 8.5 27.2 10 10 A T E -AB 96 23A 2 13,-2.5 13,-2.4 -2,-0.4 2,-0.5 -0.988 1.3-176.7-130.8 123.0 23.4 6.0 29.4 11 11 A A E -AB 95 22A 1 84,-2.5 84,-2.0 -2,-0.4 2,-0.5 -0.980 7.8-172.6-119.9 121.9 26.5 4.2 28.2 12 12 A M E -AB 94 21A 20 9,-2.2 9,-2.1 -2,-0.5 82,-0.2 -0.958 12.6-149.5-124.0 123.0 28.0 1.5 30.5 13 13 A S - 0 0 21 80,-2.6 6,-0.1 -2,-0.5 62,-0.0 -0.502 13.3-178.8 -82.3 155.3 31.2 -0.3 30.1 14 14 A R > - 0 0 39 4,-0.5 3,-2.4 -2,-0.2 78,-0.1 -0.499 19.4-145.5-156.8 74.3 31.5 -3.9 31.4 15 15 A P T 3 S+ 0 0 57 0, 0.0 4,-0.1 0, 0.0 77,-0.1 -0.149 85.5 17.7 -48.1 130.6 35.0 -5.4 30.9 16 16 A G T 3 S+ 0 0 85 2,-0.1 3,-0.1 1,-0.0 74,-0.0 0.335 114.4 76.6 87.3 -5.9 34.8 -9.1 30.2 17 17 A R S < S- 0 0 145 -3,-2.4 2,-0.1 1,-0.5 -1,-0.0 -0.106 106.0 -87.9-128.9 36.9 31.1 -9.0 29.4 18 18 A G - 0 0 51 2,-0.0 -1,-0.5 3,-0.0 -4,-0.5 -0.232 69.1 -28.5 88.6-178.6 31.1 -7.5 25.9 19 19 A E S S- 0 0 105 1,-0.2 -7,-0.1 -6,-0.1 56,-0.0 -0.224 83.1 -71.2 -69.6 159.0 31.0 -4.0 24.5 20 20 A P - 0 0 15 0, 0.0 -7,-0.2 0, 0.0 2,-0.2 -0.216 49.5-126.1 -53.3 132.8 29.5 -1.0 26.4 21 21 A R E -B 12 0A 69 -9,-2.1 -9,-2.2 -3,-0.1 2,-0.4 -0.575 22.5-158.1 -80.5 143.9 25.7 -1.1 26.5 22 22 A F E +B 11 0A 2 -11,-0.2 16,-2.8 -2,-0.2 2,-0.4 -0.994 12.2 178.3-128.7 126.6 23.9 2.0 25.2 23 23 A I E -BC 10 37A 11 -13,-2.4 -13,-2.5 -2,-0.4 2,-0.4 -0.983 3.3-175.2-128.8 139.7 20.4 3.0 26.2 24 24 A A E +BC 9 36A 1 12,-2.6 12,-1.7 -2,-0.4 2,-0.3 -0.998 3.1 178.2-136.0 138.9 18.4 6.0 25.2 25 25 A V E -BC 8 35A 1 -17,-1.5 -17,-2.7 -2,-0.4 2,-0.4 -0.981 13.5-150.8-137.5 145.6 15.0 7.2 26.2 26 26 A G E -BC 7 34A 0 8,-1.8 7,-2.7 -2,-0.3 8,-1.0 -0.940 14.1-173.5-118.7 144.6 13.0 10.3 25.3 27 27 A Y E -BC 6 32A 28 -21,-2.9 -21,-2.1 -2,-0.4 2,-0.5 -0.939 22.2-156.2-134.4 154.9 10.4 12.1 27.4 28 28 A V E > S-BC 5 31A 0 3,-2.1 3,-2.6 -2,-0.3 -23,-0.2 -0.990 80.5 -46.1-127.0 115.2 8.0 15.0 27.0 29 29 A D T 3 S- 0 0 30 -25,-2.3 -23,-0.1 -2,-0.5 -26,-0.1 -0.320 125.2 -22.5 54.8-127.5 7.4 16.3 30.5 30 30 A D T 3 S+ 0 0 62 -3,-0.1 2,-0.6 149,-0.1 -1,-0.3 0.199 118.0 97.0 -99.4 20.2 6.9 13.2 32.6 31 31 A T E < -C 28 0A 25 -3,-2.6 -3,-2.1 148,-0.0 2,-0.2 -0.926 64.4-145.6-111.8 119.0 5.8 10.9 29.8 32 32 A Q E +C 27 0A 25 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.519 22.6 171.4 -75.9 147.6 8.3 8.6 28.2 33 33 A F E + 0 0 0 -7,-2.7 15,-2.2 1,-0.4 16,-0.6 0.573 54.6 22.8-134.2 -15.6 7.7 8.1 24.5 34 34 A V E -CD 26 47A 1 -8,-1.0 -8,-1.8 13,-0.3 -1,-0.4 -0.984 53.9-175.5-150.0 158.3 10.7 6.2 22.9 35 35 A R E -CD 25 46A 74 11,-1.5 11,-2.9 -2,-0.3 2,-0.3 -0.977 6.6-172.6-151.7 158.2 13.5 3.9 23.9 36 36 A F E -C 24 0A 3 -12,-1.7 -12,-2.6 -2,-0.3 2,-0.4 -0.948 3.5-176.0-153.0 132.9 16.5 2.1 22.4 37 37 A D E > -C 23 0A 38 -2,-0.3 3,-1.7 7,-0.3 -14,-0.2 -0.978 19.5-152.4-136.1 119.0 18.7 -0.5 24.0 38 38 A S T 3 S+ 0 0 21 -16,-2.8 -15,-0.1 -2,-0.4 -1,-0.1 0.613 96.6 62.4 -68.2 -9.5 21.8 -1.8 22.2 39 39 A D T 3 S+ 0 0 65 -17,-0.2 -1,-0.3 3,-0.1 -16,-0.1 0.539 77.7 114.9 -90.9 -9.0 21.3 -5.1 24.1 40 40 A A S < S- 0 0 43 -3,-1.7 -4,-0.0 1,-0.1 0, 0.0 -0.128 82.2-110.2 -57.7 159.7 17.9 -5.8 22.6 41 41 A A S S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.940 115.1 13.2 -56.2 -49.6 17.6 -8.9 20.4 42 42 A S S S- 0 0 70 2,-0.1 -1,-0.3 0, 0.0 -3,-0.1 -0.840 95.2-135.6-129.5 90.2 17.2 -6.7 17.4 43 43 A P + 0 0 35 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.217 44.5 139.2 -51.5 124.0 18.1 -3.1 18.4 44 44 A R - 0 0 121 -7,-0.2 -7,-0.3 -9,-0.0 2,-0.3 -0.968 58.7 -93.8-164.2 150.0 15.7 -0.5 17.2 45 45 A T - 0 0 7 15,-0.4 -9,-0.2 -2,-0.3 19,-0.1 -0.533 48.7-164.1 -68.0 130.4 13.9 2.6 18.5 46 46 A E E -D 35 0A 52 -11,-2.9 -11,-1.5 -2,-0.3 2,-0.1 -0.920 18.6-110.8-122.3 149.2 10.6 1.6 19.9 47 47 A P E +D 34 0A 54 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.456 27.8 175.2 -75.4 145.1 7.4 3.5 20.8 48 48 A R + 0 0 96 -15,-2.2 -14,-0.2 1,-0.2 -16,-0.2 0.266 65.4 48.3-131.5 3.8 6.4 3.9 24.5 49 49 A A S >> S- 0 0 6 -16,-0.6 3,-1.4 1,-0.1 4,-0.6 -0.983 81.3-120.9-142.2 144.6 3.4 6.3 24.3 50 50 A P G >4 S+ 0 0 108 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.914 105.8 61.1 -54.8 -46.3 0.3 6.0 22.1 51 51 A W G 34 S+ 0 0 17 1,-0.3 3,-0.1 2,-0.2 125,-0.1 0.518 98.1 56.7 -62.3 -8.7 0.7 9.4 20.3 52 52 A I G X4 S+ 0 0 0 -3,-1.4 3,-1.6 1,-0.1 -1,-0.3 0.621 85.4 81.2 -96.9 -14.5 4.2 8.6 18.9 53 53 A E T << S+ 0 0 126 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.1 0.818 79.3 67.4 -60.1 -32.1 3.0 5.5 17.0 54 54 A Q T 3 S+ 0 0 120 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.628 73.4 110.8 -65.5 -14.5 1.6 7.5 14.1 55 55 A E S < S- 0 0 15 -3,-1.6 5,-0.1 1,-0.1 -3,-0.0 -0.390 73.2-116.4 -63.2 139.6 5.1 8.6 13.1 56 56 A G >> - 0 0 36 1,-0.1 4,-1.3 3,-0.1 3,-0.7 -0.050 27.4 -91.6 -71.6 176.7 6.0 7.0 9.8 57 57 A P H 3> S+ 0 0 99 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.859 122.3 60.4 -56.4 -42.3 8.8 4.5 9.0 58 58 A E H 3> S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.853 101.7 55.3 -57.7 -34.7 11.3 7.2 8.1 59 59 A Y H <> S+ 0 0 13 -3,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.977 111.9 41.9 -61.2 -54.2 10.9 8.5 11.6 60 60 A W H X S+ 0 0 39 -4,-1.3 4,-2.5 1,-0.2 -15,-0.4 0.839 115.3 48.2 -65.0 -36.1 11.8 5.2 13.2 61 61 A D H X S+ 0 0 101 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.887 111.9 51.0 -72.7 -36.1 14.7 4.3 10.8 62 62 A R H X S+ 0 0 66 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.948 113.2 45.3 -62.8 -48.5 16.1 7.8 11.3 63 63 A N H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.935 111.6 52.2 -59.8 -49.1 16.0 7.4 15.0 64 64 A T H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.902 108.1 50.5 -58.1 -42.4 17.4 3.9 15.0 65 65 A Q H X S+ 0 0 111 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.899 110.1 50.8 -64.0 -37.9 20.4 4.9 12.8 66 66 A I H X S+ 0 0 21 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.942 113.6 43.7 -63.6 -47.4 21.2 7.8 15.2 67 67 A F H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.809 114.5 50.2 -69.9 -29.0 21.1 5.6 18.3 68 68 A K H X S+ 0 0 79 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.918 112.7 46.5 -73.2 -43.7 23.1 2.8 16.5 69 69 A T H X S+ 0 0 67 -4,-2.8 4,-2.3 -5,-0.2 3,-0.3 0.928 113.0 50.4 -62.3 -42.6 25.7 5.4 15.5 70 70 A N H X S+ 0 0 3 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.892 101.0 63.0 -61.9 -39.9 25.7 6.7 19.0 71 71 A T H X S+ 0 0 7 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.901 109.6 40.7 -51.0 -44.1 26.1 3.2 20.4 72 72 A Q H >X S+ 0 0 114 -4,-1.4 4,-1.4 -3,-0.3 3,-0.6 0.944 114.2 50.6 -71.4 -49.2 29.5 3.1 18.6 73 73 A T H 3X S+ 0 0 22 -4,-2.3 4,-2.5 1,-0.2 314,-0.3 0.859 107.2 53.7 -59.7 -37.6 30.6 6.7 19.4 74 74 A Y H 3X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.809 103.0 57.6 -69.4 -26.0 29.9 6.3 23.1 75 75 A R H <>S+ 0 0 74 -4,-1.7 5,-2.8 -5,-0.2 3,-0.6 0.961 111.0 43.5 -58.5 -45.5 39.1 6.0 30.9 83 83 A G H ><5S+ 0 0 34 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.891 105.5 61.0 -64.5 -42.2 42.4 7.3 29.5 84 84 A Y H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.761 113.4 38.3 -56.3 -28.1 41.7 10.9 30.7 85 85 A Y T <<5S- 0 0 71 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.327 109.9-121.8-106.1 7.1 41.6 9.6 34.3 86 86 A N T < 5 + 0 0 153 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.823 56.1 167.8 56.8 33.6 44.4 7.1 33.8 87 87 A Q < - 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