==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 08-DEC-10 3PWJ . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.Y.BORBULEVYCH,B.M.BAKER . 768 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 63.7 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 . 270 35.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 36 4.7 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 . 114 14.8 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 2 0 0 0 0 1 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 . 4 14 4 4 0 8 0 4 6 2 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 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 1 A G 0 0 41 0, 0.0 106,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-159.8 14.5 -5.6 13.3 2 2 A S - 0 0 71 104,-0.1 2,-0.3 103,-0.0 102,-0.2 -0.392 360.0-170.3 -73.7 149.7 14.1 -2.2 11.6 3 3 A H E -A 103 0A 23 100,-1.9 100,-2.8 101,-0.1 2,-0.3 -0.957 8.2-162.7-142.2 162.6 10.8 -0.1 11.7 4 4 A S E -A 102 0A 24 -2,-0.3 25,-2.3 98,-0.2 2,-0.4 -0.969 10.5-155.3-141.7 155.3 9.2 3.0 10.2 5 5 A M E +AB 101 28A 0 96,-2.3 96,-1.6 -2,-0.3 2,-0.4 -0.994 23.8 176.4-126.0 135.2 6.4 5.4 10.8 6 6 A R E -AB 100 27A 32 21,-2.3 21,-2.7 -2,-0.4 2,-0.4 -0.999 18.8-158.3-141.0 138.7 4.9 7.2 7.7 7 7 A Y E -AB 99 26A 1 92,-3.1 92,-2.0 -2,-0.4 2,-0.4 -0.936 10.9-163.1-115.4 143.0 2.1 9.6 7.2 8 8 A F E -AB 98 25A 30 17,-2.8 17,-2.4 -2,-0.4 2,-0.4 -0.990 5.5-172.9-127.7 129.7 0.5 10.0 3.7 9 9 A F E -AB 97 24A 0 88,-2.8 88,-2.2 -2,-0.4 2,-0.4 -0.982 4.0-176.0-126.2 136.6 -1.7 13.0 2.7 10 10 A T E -AB 96 23A 3 13,-2.4 13,-2.4 -2,-0.4 2,-0.4 -0.998 0.3-176.5-130.4 128.0 -3.6 13.5 -0.5 11 11 A S E -AB 95 22A 1 84,-2.7 84,-2.8 -2,-0.4 2,-0.4 -0.992 4.0-173.1-122.7 135.4 -5.6 16.6 -1.4 12 12 A V E -AB 94 21A 7 9,-2.2 9,-2.5 -2,-0.4 82,-0.2 -0.975 18.8-133.7-129.9 120.3 -7.7 16.8 -4.6 13 13 A S - 0 0 19 80,-2.1 6,-0.1 -2,-0.4 62,-0.0 -0.397 13.0-167.1 -73.3 148.6 -9.4 20.0 -5.9 14 14 A R > - 0 0 39 4,-0.5 3,-2.6 78,-0.1 78,-0.1 -0.570 14.0-153.7-134.6 66.7 -13.0 19.7 -7.0 15 15 A P T 3 S+ 0 0 47 0, 0.0 77,-0.1 0, 0.0 4,-0.1 -0.170 81.4 7.6 -53.1 126.6 -13.8 23.0 -8.9 16 16 A G T 3 S+ 0 0 88 2,-0.1 3,-0.1 1,-0.1 74,-0.0 0.414 116.8 79.9 80.0 -0.3 -17.5 23.7 -8.7 17 17 A R S < S- 0 0 153 -3,-2.6 2,-0.1 1,-0.4 -1,-0.1 -0.112 100.6-109.6-127.0 32.8 -18.1 20.8 -6.3 18 18 A G S S+ 0 0 58 -5,-0.0 -4,-0.5 2,-0.0 -1,-0.4 -0.338 70.7 11.1 79.5-153.9 -17.0 22.6 -3.1 19 19 A E S S- 0 0 103 1,-0.1 3,-0.0 -6,-0.1 -7,-0.0 -0.121 83.0 -93.6 -61.5 153.0 -13.9 22.1 -0.9 20 20 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.292 40.8-111.5 -63.6 150.6 -11.0 19.9 -1.9 21 21 A R E -B 12 0A 84 -9,-2.5 -9,-2.2 17,-0.0 2,-0.4 -0.705 36.5-169.4 -78.5 133.3 -11.1 16.2 -0.7 22 22 A F E +B 11 0A 1 -2,-0.4 16,-2.9 -11,-0.2 2,-0.4 -0.994 8.4 179.3-131.1 128.6 -8.4 15.6 1.8 23 23 A I E -BC 10 37A 10 -13,-2.4 -13,-2.4 -2,-0.4 2,-0.4 -0.998 3.1-173.9-127.8 130.2 -7.4 12.1 3.1 24 24 A A E +BC 9 36A 2 12,-2.5 12,-2.3 -2,-0.4 2,-0.3 -0.980 4.6 177.0-122.8 136.3 -4.7 11.4 5.6 25 25 A V E -BC 8 35A 2 -17,-2.4 -17,-2.8 -2,-0.4 2,-0.4 -0.991 11.7-156.3-132.3 146.0 -3.4 7.9 6.6 26 26 A G E -BC 7 34A 0 8,-2.0 7,-2.9 -2,-0.3 8,-1.2 -0.970 10.3-171.5-120.3 145.5 -0.7 6.8 9.0 27 27 A Y E -BC 6 32A 28 -21,-2.7 -21,-2.3 -2,-0.4 2,-0.5 -0.951 21.2-156.0-128.0 147.0 1.3 3.6 9.1 28 28 A V E > S-BC 5 31A 0 3,-2.4 3,-2.6 -2,-0.3 -23,-0.2 -1.000 82.2 -43.5-112.6 123.7 3.8 1.8 11.3 29 29 A D T 3 S- 0 0 30 -25,-2.3 -23,-0.1 -2,-0.5 -26,-0.1 -0.317 125.4 -25.3 51.3-127.6 5.7 -0.6 9.0 30 30 A D T 3 S+ 0 0 65 149,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.150 118.4 98.8 -99.2 23.5 3.0 -2.2 6.8 31 31 A T E < -C 28 0A 16 -3,-2.6 -3,-2.4 148,-0.0 2,-0.2 -0.919 65.9-142.1-114.6 115.6 0.1 -1.7 9.3 32 32 A Q E +C 27 0A 33 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.570 25.1 170.1 -67.5 140.3 -2.3 1.3 9.0 33 33 A F E + 0 0 0 -7,-2.9 15,-2.5 1,-0.3 16,-0.8 0.589 55.2 23.3-127.6 -18.9 -3.2 2.8 12.3 34 34 A V E -CD 26 47A 1 -8,-1.2 -8,-2.0 13,-0.3 -1,-0.3 -0.991 53.9-176.5-142.8 159.0 -5.1 6.1 11.7 35 35 A R E -CD 25 46A 61 11,-1.9 11,-2.8 -2,-0.3 2,-0.3 -0.990 8.0-169.2-146.3 155.3 -7.2 7.9 9.0 36 36 A F E -C 24 0A 3 -12,-2.3 -12,-2.5 -2,-0.3 2,-0.4 -0.979 6.0-173.2-137.3 139.7 -8.9 11.2 8.4 37 37 A D E > -C 23 0A 28 7,-0.3 3,-1.2 -2,-0.3 6,-0.3 -0.968 17.9-152.3-134.1 120.2 -11.2 11.9 5.5 38 38 A S T 3 S+ 0 0 23 -16,-2.9 -15,-0.1 -2,-0.4 -1,-0.1 0.732 97.1 51.7 -56.3 -27.2 -12.5 15.4 4.9 39 39 A D T 3 S+ 0 0 75 -17,-0.3 -1,-0.3 4,-0.0 -16,-0.1 0.675 91.1 98.4 -88.2 -18.4 -15.7 14.1 3.3 40 40 A A S < S- 0 0 35 -3,-1.2 3,-0.2 1,-0.1 -3,-0.0 -0.164 79.1-116.7 -76.5 166.7 -16.7 11.8 6.2 41 41 A A S S+ 0 0 104 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.827 101.3 56.1 -75.3 -36.9 -19.1 12.5 8.9 42 42 A S S S- 0 0 50 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.829 77.0-152.2 -70.5 -34.3 -17.0 12.5 12.1 43 43 A Q + 0 0 76 -6,-0.3 2,-0.3 1,-0.3 25,-0.1 0.848 59.4 115.8 58.7 36.2 -14.4 15.2 11.1 44 44 A R S S- 0 0 90 -7,-0.1 -7,-0.3 23,-0.0 2,-0.3 -0.950 78.9-105.8-128.2 149.2 -12.1 13.3 13.5 45 45 A M - 0 0 5 15,-0.4 -9,-0.2 -2,-0.3 19,-0.2 -0.612 49.4-154.5 -63.3 139.0 -8.9 11.4 13.2 46 46 A E E -D 35 0A 50 -11,-2.8 -11,-1.9 -2,-0.3 2,-0.1 -0.910 13.2-110.9-130.3 144.9 -10.0 7.7 13.6 47 47 A P E +D 34 0A 49 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.493 29.0 172.9 -74.1 145.8 -8.3 4.6 14.8 48 48 A R + 0 0 92 -15,-2.5 -14,-0.2 1,-0.2 -16,-0.1 0.258 65.9 53.7-132.8 5.1 -7.6 1.8 12.2 49 49 A A S >> S- 0 0 4 -16,-0.8 3,-0.6 1,-0.1 4,-0.6 -0.983 82.0-124.6-135.3 145.4 -5.5 -0.7 14.3 50 50 A P G >4 S+ 0 0 81 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.854 103.4 60.3 -63.3 -31.0 -6.6 -2.1 17.6 51 51 A W G >4 S+ 0 0 16 1,-0.3 3,-0.7 2,-0.2 125,-0.1 0.793 101.1 53.8 -70.2 -27.5 -3.5 -1.0 19.6 52 52 A I G X4 S+ 0 0 1 -3,-0.6 3,-1.8 1,-0.2 4,-0.3 0.660 88.3 81.0 -79.5 -12.8 -4.0 2.7 19.0 53 53 A E G X< S+ 0 0 115 -3,-1.0 3,-0.5 -4,-0.6 -1,-0.2 0.806 85.4 60.2 -64.6 -23.6 -7.7 2.5 20.3 54 54 A Q G < S+ 0 0 153 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.511 75.8 97.9 -84.0 0.0 -6.3 2.7 23.9 55 55 A E G < S- 0 0 32 -3,-1.8 4,-0.4 1,-0.1 -1,-0.2 0.845 76.4-143.5 -61.3 -38.1 -4.7 6.1 23.4 56 56 A G X> - 0 0 25 -3,-0.5 4,-1.8 -4,-0.3 3,-0.7 -0.106 28.3 -57.5 94.9 160.3 -7.5 8.2 24.9 57 57 A P H 3> S+ 0 0 99 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.775 123.5 57.8 -68.6 -28.0 -9.1 11.6 24.2 58 58 A E H 3> S+ 0 0 145 2,-0.2 4,-2.4 -3,-0.2 5,-0.2 0.937 111.4 46.4 -61.1 -41.5 -6.1 14.0 24.5 59 59 A Y H <> S+ 0 0 13 -3,-0.7 4,-2.8 -4,-0.4 5,-0.3 0.970 116.2 43.7 -60.9 -50.0 -4.4 12.0 21.7 60 60 A W H X S+ 0 0 27 -4,-1.8 4,-2.1 1,-0.2 -15,-0.4 0.900 115.4 47.7 -69.0 -37.0 -7.6 11.9 19.5 61 61 A D H X S+ 0 0 57 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.938 115.4 45.7 -67.8 -43.8 -8.4 15.5 20.0 62 62 A G H X S+ 0 0 11 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.895 113.2 46.8 -68.8 -41.7 -4.9 16.6 19.4 63 63 A E H X S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.880 113.3 52.1 -66.2 -33.6 -4.4 14.5 16.2 64 64 A T H X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.952 109.7 48.5 -64.6 -50.0 -7.8 15.8 15.0 65 65 A R H X S+ 0 0 152 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.929 115.8 43.7 -54.2 -48.0 -6.7 19.4 15.6 66 66 A K H X S+ 0 0 40 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.918 112.8 50.2 -68.1 -41.7 -3.4 18.8 13.7 67 67 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.883 109.3 51.7 -68.4 -35.2 -4.8 16.9 10.8 68 68 A K H X S+ 0 0 94 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.883 109.4 51.2 -65.4 -35.5 -7.5 19.5 10.2 69 69 A A H X S+ 0 0 38 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.889 109.0 49.6 -68.4 -37.7 -4.7 22.1 10.2 70 70 A H H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.915 108.9 54.9 -63.1 -42.4 -2.8 20.0 7.6 71 71 A S H X S+ 0 0 17 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.928 108.0 47.9 -58.2 -46.3 -6.1 19.9 5.6 72 72 A Q H X S+ 0 0 84 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.894 110.4 50.4 -61.1 -40.8 -6.4 23.7 5.6 73 73 A T H X S+ 0 0 6 -4,-1.9 4,-2.6 1,-0.2 313,-0.2 0.908 110.4 49.5 -71.4 -34.4 -2.8 24.2 4.5 74 74 A H H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.860 107.5 55.2 -68.8 -33.0 -3.2 21.7 1.6 75 75 A R H X S+ 0 0 95 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.938 111.0 45.0 -60.5 -47.2 -6.4 23.5 0.5 76 76 A V H X S+ 0 0 65 -4,-2.1 4,-2.2 1,-0.2 3,-0.4 0.933 109.2 57.1 -62.0 -45.3 -4.4 26.8 0.4 77 77 A D H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.867 98.8 58.7 -56.0 -42.9 -1.5 25.0 -1.5 78 78 A L H X S+ 0 0 11 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.921 110.1 44.6 -51.4 -44.5 -3.9 23.9 -4.3 79 79 A G H X S+ 0 0 30 -4,-1.2 4,-1.6 -3,-0.4 -2,-0.2 0.908 113.9 49.6 -63.0 -45.2 -4.7 27.6 -4.9 80 80 A T H X S+ 0 0 37 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.919 112.0 46.5 -62.2 -47.2 -1.0 28.5 -4.7 81 81 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.828 106.9 56.6 -66.4 -37.1 0.2 25.8 -7.1 82 82 A R H <>S+ 0 0 88 -4,-1.8 5,-2.7 -5,-0.3 -1,-0.2 0.898 111.8 46.5 -62.2 -39.3 -2.5 26.6 -9.7 83 83 A G H ><5S+ 0 0 52 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.918 109.5 51.7 -65.4 -47.9 -1.1 30.1 -9.6 84 84 A Y H 3<5S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.885 118.2 37.9 -59.2 -38.8 2.6 29.0 -9.9 85 85 A Y T 3<5S- 0 0 63 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.312 107.4-125.0 -94.8 7.0 1.9 26.9 -13.0 86 86 A N T < 5 + 0 0 151 -3,-1.1 2,-0.2 -4,-0.2 -3,-0.2 0.900 52.3 163.2 49.6 50.5 -0.7 29.4 -14.5 87 87 A Q < - 0 0 50 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.0 -0.659 40.0 -99.7 -98.2 155.7 -3.4 26.7 -14.7 88 88 A S - 0 0 82 -2,-0.2 3,-0.5 1,-0.1 -1,-0.1 -0.261 23.3-119.7 -75.8 164.4 -7.1 27.4 -15.1 89 89 A E S S+ 0 0 154 1,-0.2 -1,-0.1 3,-0.0 -7,-0.0 0.624 102.7 71.1 -73.4 -10.8 -9.6 27.4 -12.3 90 90 A A S S+ 0 0 77 2,-0.1 -1,-0.2 -76,-0.1 2,-0.1 0.811 78.8 81.7 -81.4 -36.0 -11.5 24.6 -14.0 91 91 A G S S- 0 0 32 -3,-0.5 2,-0.3 1,-0.1 -78,-0.0 -0.417 73.4-120.9 -83.3 149.9 -9.3 21.5 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8.3 10.1 102 102 A D E -AE 4 111A 13 9,-2.6 8,-2.6 -2,-0.3 9,-1.3 -0.932 9.8-160.4-114.6 145.9 13.0 5.0 10.1 103 103 A V E -AE 3 109A 0 -100,-2.8 -100,-1.9 -2,-0.4 6,-0.2 -0.913 18.8-127.1-118.0 152.3 14.7 3.4 13.1 104 104 A G > - 0 0 8 4,-2.1 3,-2.4 -2,-0.3 -101,-0.1 -0.156 43.9 -80.2 -84.5-173.3 17.4 0.6 12.7 105 105 A S T 3 S+ 0 0 53 1,-0.3 443,-0.1 2,-0.1 -1,-0.1 0.618 133.4 59.5 -70.6 -10.9 17.3 -2.7 14.5 106 106 A D T 3 S- 0 0 47 2,-0.2 -1,-0.3 438,-0.1 438,-0.1 0.283 116.0-118.4 -87.9 4.4 18.7 -0.9 17.6 107 107 A W S < S+ 0 0 5 -3,-2.4 2,-0.3 1,-0.2 -2,-0.1 0.586 71.5 134.6 61.8 18.4 15.5 1.2 17.5 108 108 A R - 0 0 100 1,-0.1 -4,-2.1 433,-0.1 -1,-0.2 -0.668 69.8 -81.6 -94.5 151.0 17.7 4.4 17.0 109 109 A F E +E 103 0A 66 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.229 54.2 162.9 -47.8 130.1 17.0 7.1 14.5 110 110 A L E - 0 0 75 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.685 58.2 -8.2-117.6 -47.8 18.2 6.0 11.1 111 111 A R E -E 102 0A 88 -9,-1.3 -9,-2.6 49,-0.1 -1,-0.4 -0.995 52.1-155.8-155.1 148.2 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