==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (ANTIGEN/PEPTIDE) 11-DEC-97 1A1O . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, BW-53 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.J.SMITH,S.W.REID,K.HARLOS,A.J.MCMICHAEL,D.I.STUART, . 384 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 64.8 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 . 135 35.2 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 . 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 . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 3 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,-0.2 0, 0.0 102,-0.1 0.000 360.0 360.0 360.0 167.8 16.2 15.3 32.8 2 2 A S + 0 0 81 100,-0.1 2,-0.3 1,-0.1 102,-0.2 0.766 360.0 7.9 -35.8 -48.0 19.7 16.4 31.9 3 3 A H E -A 103 0A 33 100,-1.6 100,-3.3 26,-0.1 2,-0.3 -0.983 66.8-175.3-140.4 154.3 18.5 19.4 29.7 4 4 A S E -A 102 0A 26 -2,-0.3 25,-2.3 98,-0.2 2,-0.4 -0.976 17.7-146.2-149.5 156.2 15.2 21.1 28.8 5 5 A M E +AB 101 28A 1 96,-2.4 96,-0.9 -2,-0.3 2,-0.4 -0.996 24.4 178.4-121.3 133.1 13.6 23.8 26.6 6 6 A R E -AB 100 27A 45 21,-2.4 21,-2.7 -2,-0.4 2,-0.4 -0.996 17.8-161.0-139.6 135.8 10.7 25.8 28.0 7 7 A Y E -AB 99 26A 1 92,-2.6 92,-1.8 -2,-0.4 2,-0.5 -0.969 11.5-159.2-113.9 134.2 8.6 28.7 26.6 8 8 A F E -AB 98 25A 22 17,-2.8 17,-1.9 -2,-0.4 2,-0.4 -0.980 6.7-169.3-114.8 118.5 6.6 30.8 29.1 9 9 A Y E -AB 97 24A 3 88,-2.6 88,-2.3 -2,-0.5 2,-0.4 -0.907 5.4-179.2-108.8 135.1 3.6 32.9 27.7 10 10 A T E -AB 96 23A 2 13,-2.4 13,-2.9 -2,-0.4 2,-0.4 -0.993 2.3-176.7-134.6 124.5 1.8 35.5 29.8 11 11 A A E -AB 95 22A 2 84,-2.3 84,-2.1 -2,-0.4 2,-0.4 -0.995 7.9-172.9-121.2 125.0 -1.2 37.5 28.5 12 12 A M E -AB 94 21A 18 9,-2.6 9,-2.3 -2,-0.4 82,-0.2 -0.978 13.4-148.0-126.6 126.5 -2.7 40.2 30.8 13 13 A S - 0 0 18 80,-2.6 6,-0.1 -2,-0.4 62,-0.0 -0.537 13.1-178.2 -84.5 155.3 -5.8 42.3 30.2 14 14 A R > - 0 0 40 4,-0.5 3,-2.2 -2,-0.2 78,-0.1 -0.575 19.4-146.5-154.4 79.9 -5.9 45.9 31.5 15 15 A P T 3 S+ 0 0 59 0, 0.0 4,-0.1 0, 0.0 75,-0.0 -0.210 84.4 19.5 -54.5 134.6 -9.3 47.5 30.8 16 16 A G T 3 S+ 0 0 87 2,-0.1 3,-0.1 1,-0.0 74,-0.0 0.263 114.5 76.0 87.9 -8.6 -9.2 51.2 30.1 17 17 A R S < S- 0 0 154 -3,-2.2 2,-0.1 1,-0.4 -1,-0.0 -0.140 105.0 -84.9-127.4 38.9 -5.5 50.9 29.3 18 18 A G S S- 0 0 51 2,-0.0 -4,-0.5 3,-0.0 -1,-0.4 -0.353 70.7 -27.6 94.0-175.0 -5.3 49.4 25.8 19 19 A E S S- 0 0 106 1,-0.2 -7,-0.1 -2,-0.1 56,-0.0 -0.295 83.1 -73.8 -74.9 159.3 -5.4 45.9 24.5 20 20 A P - 0 0 18 0, 0.0 -7,-0.2 0, 0.0 2,-0.2 -0.280 49.3-122.6 -57.5 136.2 -4.1 42.9 26.5 21 21 A R E -B 12 0A 70 -9,-2.3 -9,-2.6 -3,-0.1 2,-0.4 -0.584 22.8-160.2 -78.4 141.5 -0.3 42.7 26.8 22 22 A F E +B 11 0A 2 -11,-0.2 16,-2.6 -2,-0.2 2,-0.4 -0.995 10.2 179.5-128.6 123.7 1.4 39.5 25.6 23 23 A I E -BC 10 37A 6 -13,-2.9 -13,-2.4 -2,-0.4 2,-0.4 -0.982 3.1-174.4-121.7 137.1 4.9 38.5 26.8 24 24 A A E +BC 9 36A 1 12,-2.3 12,-1.8 -2,-0.4 2,-0.3 -0.987 3.2 179.8-130.9 135.3 6.8 35.4 25.7 25 25 A V E -BC 8 35A 2 -17,-1.9 -17,-2.8 -2,-0.4 2,-0.4 -0.987 11.5-152.5-132.2 146.3 10.2 34.2 27.1 26 26 A G E -BC 7 34A 0 8,-1.5 7,-2.7 -2,-0.3 8,-1.0 -0.952 11.3-173.6-121.6 143.0 12.3 31.1 26.2 27 27 A Y E -BC 6 32A 29 -21,-2.7 -21,-2.4 -2,-0.4 2,-0.5 -0.950 22.0-158.7-131.4 151.8 14.8 29.2 28.3 28 28 A V E > S-BC 5 31A 0 3,-2.0 3,-2.6 -2,-0.3 -23,-0.2 -0.995 82.2 -46.8-124.4 111.6 17.2 26.3 27.8 29 29 A D T 3 S- 0 0 32 -25,-2.3 -23,-0.1 -2,-0.5 -26,-0.1 -0.302 125.8 -20.6 58.3-124.4 17.7 25.0 31.4 30 30 A D T 3 S+ 0 0 67 -3,-0.1 2,-0.5 149,-0.1 -1,-0.3 0.081 118.0 97.9-102.2 23.3 18.3 28.1 33.5 31 31 A T E < -C 28 0A 22 -3,-2.6 -3,-2.0 148,-0.0 2,-0.2 -0.946 64.4-144.4-117.5 116.4 19.3 30.4 30.7 32 32 A Q E +C 27 0A 32 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.541 24.0 169.8 -73.5 137.1 16.9 32.8 29.0 33 33 A F E + 0 0 0 -7,-2.7 15,-1.9 1,-0.3 2,-0.3 0.581 55.0 28.0-126.3 -15.7 17.5 33.1 25.2 34 34 A V E -CD 26 47A 0 -8,-1.0 -8,-1.5 13,-0.2 2,-0.3 -0.970 54.3-170.9-143.7 161.5 14.6 35.0 23.6 35 35 A R E -CD 25 46A 47 11,-1.3 11,-2.5 -2,-0.3 2,-0.3 -0.990 4.2-178.5-152.7 146.8 12.0 37.6 24.6 36 36 A F E +C 24 0A 1 -12,-1.8 -12,-2.3 -2,-0.3 2,-0.4 -0.969 2.8 177.3-148.3 135.3 8.9 39.1 23.0 37 37 A D E > -C 23 0A 12 7,-0.4 3,-2.1 -2,-0.3 -14,-0.2 -0.932 23.2-152.8-144.9 115.1 6.7 41.9 24.4 38 38 A S T 3 S+ 0 0 25 -16,-2.6 4,-0.1 -2,-0.4 -15,-0.1 0.607 96.2 63.6 -63.2 -11.0 3.8 43.3 22.5 39 39 A D T 3 S+ 0 0 74 -17,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.426 76.0 109.2 -91.1 -5.4 4.2 46.6 24.4 40 40 A A S < S- 0 0 25 -3,-2.1 2,-0.5 1,-0.1 -3,-0.0 -0.543 85.9-106.9 -72.7 137.9 7.7 47.2 22.9 41 41 A A S S+ 0 0 105 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.619 111.1 7.1 -65.0 117.7 7.7 50.1 20.4 42 42 A S S S- 0 0 97 -2,-0.5 2,-0.4 -4,-0.1 -1,-0.2 0.975 99.3-133.1 64.1 81.2 8.0 48.1 17.2 43 43 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.582 40.6 154.7 -72.8 121.6 7.6 44.5 18.7 44 44 A R - 0 0 125 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.4 -0.941 49.7-102.0-138.3 157.3 10.2 42.1 17.5 45 45 A T - 0 0 5 15,-0.4 -9,-0.2 -2,-0.3 19,-0.1 -0.712 45.1-154.4 -85.1 129.5 11.6 38.9 19.2 46 46 A E E -D 35 0A 65 -11,-2.5 -11,-1.3 -2,-0.4 2,-0.2 -0.827 13.5-115.1-109.2 151.4 15.0 39.7 20.7 47 47 A P E -D 34 0A 45 0, 0.0 -13,-0.2 0, 0.0 -14,-0.1 -0.537 23.6-178.3 -81.6 143.0 18.1 37.6 21.5 48 48 A R + 0 0 96 -15,-1.9 -14,-0.2 1,-0.2 -16,-0.1 0.277 67.2 38.9-119.8 -3.6 19.0 37.3 25.2 49 49 A P S >> S- 0 0 8 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.959 83.4-115.5-144.3 144.8 22.2 35.1 25.1 50 50 A P G >4 S+ 0 0 100 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.854 105.3 64.3 -52.3 -42.5 25.1 35.2 22.6 51 51 A W G 34 S+ 0 0 16 1,-0.2 3,-0.2 2,-0.2 125,-0.1 0.604 98.2 54.6 -63.3 -15.0 24.7 31.8 21.1 52 52 A I G X4 S+ 0 0 0 -3,-1.4 3,-2.1 1,-0.2 -1,-0.2 0.720 90.6 75.5 -90.4 -19.9 21.2 32.5 19.6 53 53 A E T << S+ 0 0 120 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.741 79.7 71.2 -63.3 -22.3 22.5 35.6 17.7 54 54 A Q T 3 S+ 0 0 120 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.610 76.0 106.9 -70.9 -9.5 24.1 33.4 15.1 55 55 A E S < S- 0 0 15 -3,-2.1 5,-0.1 1,-0.1 -3,-0.0 -0.465 75.6-111.9 -71.0 140.4 20.6 32.5 13.9 56 56 A G >> - 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0 0 64 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.2 -0.741 41.1-114.1-106.4 154.9 -17.0 37.6 34.8 88 88 A S > - 0 0 82 -2,-0.3 3,-1.3 1,-0.1 -1,-0.0 -0.550 21.3-119.5 -85.6 158.2 -17.3 41.3 33.8 89 89 A E T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -7,-0.0 0.351 101.6 79.9 -77.0 11.0 -15.2 43.1 31.3 90 90 A A T 3 S+ 0 0 82 2,-0.1 -1,-0.3 -75,-0.0 2,-0.2 0.558 78.2 79.0 -95.3 -12.7 -14.1 45.5 34.1 91 91 A G S < S- 0 0 28 -3,-1.3 2,-0.5 -77,-0.1 -77,-0.0 -0.558 76.9-118.8 -98.5 164.3 -11.5 43.3 35.7 92 92 A S + 0 0 61 -2,-0.2 2,-0.3 -78,-0.1 -78,-0.1 -0.879 36.2 179.4-100.7 130.7 -7.9 42.5 34.9 93 93 A H - 0 0 26 -2,-0.5 -80,-2.6 2,-0.0 2,-0.3 -0.914 15.3-148.0-132.2 160.3 -7.1 38.8 34.2 94 94 A I E -A 12 0A 6 -2,-0.3 25,-2.8 -82,-0.2 2,-0.4 -0.963 5.2-167.4-132.8 138.3 -4.1 36.7 33.3 95 95 A I E -AE 11 118A 1 -84,-2.1 -84,-2.3 -2,-0.3 2,-0.4 -0.995 14.8-171.7-121.8 130.2 -3.6 33.5 31.3 96 96 A Q E -AE 10 117A 0 21,-1.7 21,-2.6 -2,-0.4 2,-0.3 -0.961 4.6-171.5-123.0 144.9 -0.2 31.8 31.5 97 97 A R E -AE 9 116A 7 -88,-2.3 -88,-2.6 -2,-0.4 2,-0.4 -0.983 4.4-175.3-134.3 146.8 1.1 28.9 29.5 98 98 A M E +AE 8 115A 10 17,-2.2 17,-2.6 -2,-0.3 2,-0.3 -0.982 17.5 156.0-144.9 117.8 4.3 26.8 30.0 99 99 A Y E +AE 7 114A 3 -92,-1.8 -92,-2.6 -2,-0.4 2,-0.3 -0.986 9.5 108.3-142.5 159.2 5.3 24.2 27.5 100 100 A G E -AE 6 113A 1 13,-2.1 13,-1.7 -2,-0.3 2,-0.3 -0.948 48.8 -81.7 160.2-175.7 8.5 22.4 26.3 101 101 A a E -AE 5 112A 0 -96,-0.9 -96,-2.4 -2,-0.3 2,-0.4 -0.897 18.4-144.7-127.4 149.7 10.6 19.2 26.3 102 102 A D E -AE 4 111A 16 9,-2.5 8,-3.1 -2,-0.3 9,-1.1 -0.906 16.0-149.3-110.2 133.9 13.0 17.5 28.5 103 103 A L E -AE 3 109A 7 -100,-3.3 -100,-1.6 -2,-0.4 6,-0.2 -0.900 12.0-144.3-105.4 127.7 16.0 15.6 27.0 104 104 A G > - 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