==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (MHC/VIRAL PEPTIDE/RECEPTOR) 12-MAY-98 1BD2 . COMPND 2 MOLECULE: HLA-A 0201; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.-H.DING,K.J.SMITH,D.N.GARBOCZI,U.UTZ,W.E.BIDDISON, . 815 7 7 6 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 530 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 296 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 0.1 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 . 72 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 8.5 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+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 3 0 0 1 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 . 2 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 . 5 9 11 7 2 8 4 2 4 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 2 3 3 3 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 G 0 0 67 0, 0.0 106,-0.1 0, 0.0 102,-0.1 0.000 360.0 360.0 360.0 173.2 5.5 27.0 54.0 2 2 A S - 0 0 76 104,-0.1 2,-0.3 100,-0.0 102,-0.2 -0.043 360.0-172.4 -55.5 160.6 6.0 30.0 51.8 3 3 A H E -A 103 0A 19 100,-2.2 100,-2.7 26,-0.1 2,-0.3 -0.954 5.4-168.0-151.8 163.5 7.8 29.7 48.4 4 4 A S E -A 102 0A 29 -2,-0.3 25,-2.7 98,-0.2 2,-0.4 -0.995 14.1-152.2-158.8 152.6 9.1 31.9 45.7 5 5 A M E +AB 101 28A 1 96,-2.0 96,-1.7 -2,-0.3 2,-0.3 -0.996 23.0 177.8-127.0 134.8 10.5 32.0 42.2 6 6 A R E -AB 100 27A 39 21,-2.6 21,-3.1 -2,-0.4 2,-0.4 -0.999 17.8-156.2-142.3 142.6 12.9 34.7 41.0 7 7 A Y E -AB 99 26A 2 92,-2.7 92,-1.7 -2,-0.3 2,-0.4 -0.948 9.4-164.8-119.1 137.6 14.8 35.6 37.8 8 8 A F E -AB 98 25A 30 17,-3.0 17,-2.2 -2,-0.4 2,-0.4 -0.988 5.1-172.6-126.2 123.3 18.0 37.7 37.8 9 9 A F E -AB 97 24A 0 88,-2.8 88,-2.2 -2,-0.4 2,-0.4 -0.945 2.1-173.8-119.6 134.6 19.5 39.3 34.7 10 10 A T E +AB 96 23A 3 13,-2.7 13,-2.3 -2,-0.4 2,-0.4 -0.987 3.3 179.9-129.2 128.2 22.8 41.1 34.4 11 11 A S E -AB 95 22A 2 84,-2.2 84,-1.7 -2,-0.4 2,-0.5 -0.986 2.6-175.2-130.5 121.1 24.0 42.9 31.3 12 12 A V E -AB 94 21A 8 9,-2.2 9,-2.0 -2,-0.4 82,-0.2 -0.970 24.9-127.6-117.7 120.7 27.5 44.6 31.2 13 13 A S E - 0 0 18 80,-2.0 6,-0.1 -2,-0.5 80,-0.1 -0.347 12.0-158.4 -68.5 146.1 28.4 46.6 28.1 14 14 A R E > - B 0 18A 76 4,-0.6 4,-1.5 78,-0.1 -1,-0.1 -0.606 12.2-157.5-122.2 67.3 31.7 45.9 26.4 15 15 A P T 4 S- 0 0 53 0, 0.0 2,-2.0 0, 0.0 77,-0.1 -0.230 80.5 -8.7 -48.7 122.9 32.5 49.1 24.4 16 16 A G T 4 S+ 0 0 84 1,-0.1 -2,-0.1 2,-0.1 3,-0.1 -0.551 125.1 78.6 85.6 -67.7 34.9 48.1 21.7 17 17 A R T 4 S- 0 0 74 -2,-2.0 2,-0.3 1,-0.1 -1,-0.1 0.500 107.4 -92.0 -51.6 -10.1 35.3 44.6 23.1 18 18 A G E < -B 14 0A 35 -4,-1.5 -4,-0.6 3,-0.0 -1,-0.1 -0.795 66.8 -15.0 130.5-173.2 32.0 43.4 21.7 19 19 A E E S- 0 0 104 -2,-0.3 -7,-0.1 1,-0.1 3,-0.1 -0.280 83.7 -80.7 -65.9 149.8 28.4 42.9 22.5 20 20 A P E - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.243 43.8-114.5 -56.1 138.8 27.3 43.2 26.2 21 21 A R E -B 12 0A 86 -9,-2.0 -9,-2.2 -3,-0.1 2,-0.4 -0.593 36.8-168.1 -71.9 128.5 27.8 40.1 28.4 22 22 A F E +B 11 0A 2 -2,-0.3 16,-2.4 -11,-0.2 2,-0.4 -0.983 12.1 177.4-128.9 123.8 24.4 38.9 29.5 23 23 A I E -BC 10 37A 9 -13,-2.3 -13,-2.7 -2,-0.4 2,-0.4 -0.978 3.6-175.4-123.4 139.6 23.7 36.3 32.2 24 24 A A E +BC 9 36A 4 12,-2.7 12,-1.0 -2,-0.4 2,-0.3 -0.993 5.5 174.1-138.0 129.0 20.3 35.2 33.3 25 25 A V E -BC 8 35A 1 -17,-2.2 -17,-3.0 -2,-0.4 2,-0.4 -0.959 13.2-155.9-134.2 148.8 19.5 32.8 36.1 26 26 A G E -BC 7 34A 0 8,-1.9 7,-2.7 -2,-0.3 8,-1.0 -0.968 9.2-167.2-127.6 145.5 16.3 31.7 37.7 27 27 A Y E -BC 6 32A 31 -21,-3.1 -21,-2.6 -2,-0.4 2,-0.6 -0.949 20.5-155.6-133.7 145.6 15.7 30.3 41.2 28 28 A V E > S-BC 5 31A 0 3,-2.8 3,-2.1 -2,-0.3 -23,-0.2 -0.998 82.8 -43.8-115.7 112.8 12.9 28.6 43.0 29 29 A D T 3 S- 0 0 37 -25,-2.7 -23,-0.1 -2,-0.6 -26,-0.1 -0.328 124.3 -24.9 60.6-133.6 13.6 29.4 46.7 30 30 A D T 3 S+ 0 0 70 149,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.320 119.5 96.7 -92.4 10.6 17.4 29.0 47.2 31 31 A T E < -C 28 0A 24 -3,-2.1 -3,-2.8 148,-0.0 2,-0.3 -0.884 67.8-141.5-105.8 123.0 17.8 26.5 44.4 32 32 A Q E +C 27 0A 37 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.613 26.6 168.9 -78.1 135.8 18.9 27.7 40.9 33 33 A F E + 0 0 0 -7,-2.7 15,-3.5 1,-0.3 16,-0.8 0.685 54.0 25.4-121.0 -30.6 17.1 25.8 38.2 34 34 A V E -CD 26 47A 1 -8,-1.0 -8,-1.9 13,-0.3 -1,-0.3 -0.922 59.1-180.0-135.2 160.1 17.7 27.5 34.8 35 35 A R E -CD 25 46A 44 11,-1.9 11,-2.3 -2,-0.3 2,-0.3 -0.942 12.6-170.6-152.2 172.8 20.4 29.6 33.2 36 36 A F E -C 24 0A 2 -12,-1.0 -12,-2.7 -2,-0.3 2,-0.4 -0.843 4.8-176.2-169.1 134.1 21.6 31.5 30.1 37 37 A D E > -C 23 0A 25 7,-0.3 3,-1.4 -2,-0.3 6,-0.4 -0.995 22.9-147.8-142.3 127.5 24.8 33.1 29.1 38 38 A S T 3 S+ 0 0 27 -16,-2.4 -15,-0.1 -2,-0.4 -1,-0.1 0.782 102.4 51.9 -61.6 -33.1 25.6 35.1 26.0 39 39 A D T 3 S+ 0 0 82 -17,-0.3 -1,-0.3 3,-0.0 2,-0.1 0.351 91.9 97.9 -88.2 5.8 29.3 34.0 26.1 40 40 A A S < S- 0 0 26 -3,-1.4 0, 0.0 1,-0.1 0, 0.0 -0.380 80.0-120.5 -84.3 172.2 28.3 30.3 26.4 41 41 A A S S+ 0 0 102 1,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 0.939 98.5 60.6 -81.7 -45.1 28.2 28.0 23.3 42 42 A S S S- 0 0 50 1,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.716 74.1-153.8 -55.2 -37.2 24.6 26.8 23.3 43 43 A Q + 0 0 86 -6,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.795 64.0 106.6 58.4 31.1 22.7 30.1 22.9 44 44 A R S S- 0 0 89 -7,-0.1 2,-0.4 23,-0.0 -7,-0.3 -0.919 84.8 -96.9-137.2 156.5 19.9 28.3 24.7 45 45 A M - 0 0 6 15,-0.5 -9,-0.2 -2,-0.3 19,-0.1 -0.636 49.6-151.7 -71.4 125.6 18.3 28.3 28.1 46 46 A E E -D 35 0A 48 -11,-2.3 -11,-1.9 -2,-0.4 2,-0.4 -0.799 12.9-116.0-110.3 149.0 19.9 25.5 30.0 47 47 A P E +D 34 0A 50 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.628 29.7 172.3 -77.6 128.8 18.7 23.2 32.9 48 48 A R + 0 0 102 -15,-3.5 -14,-0.2 -2,-0.4 -16,-0.1 0.185 66.5 58.1-120.5 14.7 20.6 23.7 36.1 49 49 A A S >> S- 0 0 4 -16,-0.8 4,-1.2 1,-0.1 3,-1.0 -0.995 78.1-132.4-143.6 136.8 18.3 21.5 38.2 50 50 A P T 34 S+ 0 0 100 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.796 105.0 58.2 -60.4 -31.2 17.3 17.8 37.6 51 51 A W T 34 S+ 0 0 27 1,-0.2 3,-0.4 2,-0.2 4,-0.1 0.784 105.2 49.7 -71.5 -26.0 13.6 18.5 38.1 52 52 A I T X4 S+ 0 0 1 -3,-1.0 3,-2.5 1,-0.2 -1,-0.2 0.774 92.9 76.7 -82.4 -26.7 13.6 21.0 35.2 53 53 A E T 3< S+ 0 0 128 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.741 85.1 64.6 -55.7 -25.8 15.4 18.6 32.9 54 54 A Q T 3 S+ 0 0 73 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.692 78.6 112.1 -73.0 -16.4 12.1 16.7 32.5 55 55 A E S < S- 0 0 43 -3,-2.5 5,-0.2 1,-0.1 -3,-0.0 -0.298 75.7-100.7 -63.0 136.6 10.5 19.8 30.8 56 56 A G >> - 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