==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 09-MAY-11 3RWE . COMPND 2 MOLECULE: MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I; . SOURCE 2 ORGANISM_SCIENTIFIC: MACACA MULATTA; . AUTHOR Y.WU,F.GAO,J.LIU,J.X.QI,D.A.PRICE,G.F.GAO . 384 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 65.9 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 . 136 35.4 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 . 5 1.3 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 . 27 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.5 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 . 5 1.3 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 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 6 3 2 0 3 1 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 76 0, 0.0 2,-0.3 0, 0.0 179,-0.0 0.000 360.0 360.0 360.0-106.0 25.4 14.7 4.3 2 2 A S - 0 0 64 103,-0.0 2,-0.3 102,-0.0 102,-0.2 -0.654 360.0-177.3 -84.1 134.7 23.0 12.0 5.3 3 3 A H E -A 103 0A 28 100,-2.6 100,-0.8 -2,-0.3 2,-0.3 -0.814 5.4-159.8-126.5 169.5 21.9 11.8 8.9 4 4 A S E -A 102 0A 16 -2,-0.3 25,-2.3 98,-0.3 2,-0.4 -0.996 13.6-153.5-150.5 151.8 19.7 9.4 10.9 5 5 A M E +AB 101 28A 1 96,-2.5 96,-1.9 -2,-0.3 2,-0.4 -0.995 23.1 178.3-127.6 127.5 17.6 9.1 14.1 6 6 A K E -AB 100 27A 33 21,-2.4 21,-2.7 -2,-0.4 2,-0.4 -0.972 17.0-157.0-132.5 143.1 17.0 5.6 15.6 7 7 A Y E -AB 99 26A 2 92,-2.4 92,-2.1 -2,-0.4 2,-0.5 -0.975 8.5-160.6-119.3 133.2 15.2 4.3 18.7 8 8 A F E -AB 98 25A 25 17,-2.6 17,-2.2 -2,-0.4 2,-0.4 -0.960 6.3-170.7-117.0 119.4 16.1 0.9 20.2 9 9 A Y E -AB 97 24A 3 88,-2.5 88,-2.3 -2,-0.5 2,-0.4 -0.915 3.9-176.5-109.5 135.0 13.6 -0.8 22.6 10 10 A T E -AB 96 23A 2 13,-2.0 13,-2.5 -2,-0.4 2,-0.5 -0.966 1.1-177.7-132.0 116.9 14.5 -3.9 24.6 11 11 A S E -AB 95 22A 1 84,-2.7 84,-2.4 -2,-0.4 2,-0.5 -0.960 2.6-175.4-117.6 121.1 11.8 -5.6 26.7 12 12 A V E -AB 94 21A 10 9,-2.5 9,-2.5 -2,-0.5 82,-0.2 -0.953 18.7-137.8-121.9 117.4 12.8 -8.6 28.9 13 13 A S - 0 0 18 80,-2.2 6,-0.1 -2,-0.5 80,-0.1 -0.435 12.9-163.1 -70.2 142.9 10.2 -10.7 30.8 14 14 A R > - 0 0 43 4,-0.6 3,-1.6 -2,-0.1 4,-0.4 -0.695 9.6-149.9-132.3 80.3 11.3 -11.7 34.3 15 15 A P T 3 S+ 0 0 52 0, 0.0 77,-0.1 0, 0.0 75,-0.1 -0.300 89.0 8.0 -52.4 115.5 9.1 -14.5 35.7 16 16 A G T 3 S+ 0 0 85 -2,-0.1 3,-0.1 2,-0.1 74,-0.0 -0.104 114.1 82.3 100.2 -34.0 9.0 -14.0 39.5 17 17 A R S < S- 0 0 174 -3,-1.6 2,-0.2 1,-0.3 0, 0.0 0.313 97.6-128.6 -83.6 8.1 10.8 -10.6 39.3 18 18 A G + 0 0 53 -4,-0.4 -4,-0.6 3,-0.0 -1,-0.3 -0.545 68.3 25.1 83.1-145.3 7.5 -9.0 38.5 19 19 A E S S- 0 0 118 -2,-0.2 56,-0.0 1,-0.1 2,-0.0 -0.123 89.3 -98.8 -55.0 147.6 7.0 -6.7 35.5 20 20 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.306 39.4-110.0 -63.1 152.1 9.3 -7.1 32.4 21 21 A R E -B 12 0A 84 -9,-2.5 -9,-2.5 -3,-0.1 2,-0.5 -0.752 30.2-161.5 -91.0 131.0 12.2 -4.6 32.2 22 22 A F E -B 11 0A 3 -2,-0.4 16,-2.3 -11,-0.2 2,-0.5 -0.951 9.2-179.0-116.8 124.0 12.0 -2.0 29.4 23 23 A I E -BC 10 37A 12 -13,-2.5 -13,-2.0 -2,-0.5 2,-0.4 -0.980 2.6-175.8-125.5 123.3 15.0 -0.2 28.1 24 24 A S E -BC 9 36A 1 12,-2.6 12,-1.9 -2,-0.5 2,-0.4 -0.956 0.5-175.4-121.2 134.0 14.9 2.5 25.4 25 25 A V E -BC 8 35A 0 -17,-2.2 -17,-2.6 -2,-0.4 2,-0.4 -0.985 10.8-150.7-130.5 141.6 17.8 4.4 23.8 26 26 A G E -BC 7 34A 0 8,-2.0 7,-2.4 -2,-0.4 8,-1.0 -0.911 12.9-171.0-114.2 136.1 17.8 7.2 21.3 27 27 A Y E -BC 6 32A 30 -21,-2.7 -21,-2.4 -2,-0.4 2,-0.7 -0.981 20.7-162.8-129.8 132.0 20.5 7.9 18.7 28 28 A V E > S-BC 5 31A 0 3,-2.7 3,-2.3 -2,-0.4 2,-0.6 -0.958 81.9 -50.4-103.7 109.5 21.3 10.7 16.3 29 29 A D T 3 S- 0 0 32 -25,-2.3 -23,-0.1 -2,-0.7 -26,-0.0 -0.504 125.2 -21.8 60.5-110.1 23.8 9.0 13.9 30 30 A D T 3 S+ 0 0 61 -2,-0.6 2,-0.6 149,-0.1 -1,-0.3 0.144 118.8 98.7-113.6 17.2 26.3 7.5 16.4 31 31 A T E < -C 28 0A 22 -3,-2.3 -3,-2.7 148,-0.0 2,-0.2 -0.917 64.8-142.8-113.6 114.8 25.5 9.8 19.3 32 32 A Q E +C 27 0A 37 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.535 27.0 166.0 -70.0 134.4 23.1 8.6 22.1 33 33 A F E + 0 0 0 -7,-2.4 15,-2.8 1,-0.3 16,-0.8 0.539 57.1 29.2-127.5 -15.7 21.0 11.5 23.3 34 34 A V E -CD 26 47A 0 -8,-1.0 -8,-2.0 13,-0.3 2,-0.3 -0.975 54.4-175.6-146.4 159.6 18.2 9.9 25.4 35 35 A R E -CD 25 46A 25 11,-1.4 11,-2.5 -2,-0.3 2,-0.3 -0.985 6.7-167.1-151.3 155.0 17.5 6.9 27.6 36 36 A F E -C 24 0A 2 -12,-1.9 -12,-2.6 -2,-0.3 2,-0.5 -0.929 6.2-179.4-148.2 124.5 14.7 5.2 29.5 37 37 A D E > -C 23 0A 12 7,-0.4 3,-2.0 -2,-0.3 -14,-0.2 -0.967 20.3-158.2-128.8 117.0 14.9 2.5 32.0 38 38 A S T 3 S+ 0 0 37 -16,-2.3 -1,-0.1 -2,-0.5 -15,-0.1 0.718 99.2 56.6 -62.4 -20.2 11.9 1.0 33.8 39 39 A D T 3 S+ 0 0 64 -17,-0.3 -1,-0.3 3,-0.1 2,-0.1 0.370 80.7 116.1 -94.2 3.2 14.2 -0.1 36.5 40 40 A A S < S- 0 0 22 -3,-2.0 -4,-0.0 1,-0.1 0, 0.0 -0.397 82.8-112.1 -66.4 151.3 15.5 3.4 37.1 41 41 A E S S+ 0 0 192 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.759 114.4 17.4 -59.9 -24.7 14.7 4.7 40.6 42 42 A S S S- 0 0 68 -5,-0.1 -1,-0.3 2,-0.1 -3,-0.1 -0.555 93.7-136.5-147.3 78.1 12.3 7.2 38.9 43 43 A P + 0 0 44 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.019 47.9 128.6 -42.5 122.3 11.6 6.0 35.4 44 44 A R - 0 0 122 -7,-0.2 2,-0.4 -9,-0.1 -7,-0.4 -0.951 65.6 -83.0-171.0 155.4 11.7 9.0 32.9 45 45 A E - 0 0 5 15,-0.5 -9,-0.2 -2,-0.3 19,-0.2 -0.546 52.1-162.4 -67.4 121.3 13.2 10.0 29.6 46 46 A E E -D 35 0A 32 -11,-2.5 -11,-1.4 -2,-0.4 2,-0.3 -0.854 17.7-117.6-112.8 145.2 16.7 11.3 30.4 47 47 A P E +D 34 0A 37 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.611 28.2 172.9 -76.9 134.1 19.1 13.5 28.4 48 48 A R + 0 0 116 -15,-2.8 -14,-0.2 -2,-0.3 -16,-0.1 0.226 65.9 58.8-122.0 7.8 22.4 11.9 27.4 49 49 A A S >> S- 0 0 2 -16,-0.8 3,-1.4 1,-0.1 4,-0.8 -0.998 76.2-132.6-139.5 141.7 23.6 14.7 25.2 50 50 A P T 34 S+ 0 0 101 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.787 103.9 59.9 -60.9 -31.0 24.2 18.4 25.9 51 51 A W T 34 S+ 0 0 24 1,-0.2 123,-0.1 2,-0.1 125,-0.1 0.469 111.5 38.0 -83.2 -1.9 22.2 19.6 22.9 52 52 A V T X4 S+ 0 0 0 -3,-1.4 3,-1.3 -19,-0.1 -1,-0.2 0.431 94.9 85.0-118.5 -8.2 19.0 18.0 24.0 53 53 A E T 3< S+ 0 0 107 -4,-0.8 -2,-0.1 1,-0.3 -1,-0.0 0.703 84.0 58.5 -70.4 -20.8 19.3 18.7 27.7 54 54 A Q T 3 S+ 0 0 173 -4,-0.4 -1,-0.3 2,-0.0 2,-0.2 0.186 74.5 126.3 -98.5 16.9 17.8 22.2 27.3 55 55 A E < - 0 0 15 -3,-1.3 5,-0.2 1,-0.1 -3,-0.1 -0.554 69.6 -97.8 -72.3 138.4 14.5 21.0 25.9 56 56 A G >> - 0 0 19 -2,-0.2 4,-1.0 1,-0.1 3,-0.9 0.020 33.8-100.5 -54.4 162.7 11.5 22.3 27.8 57 57 A P H 3> S+ 0 0 90 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.808 120.2 64.8 -54.4 -35.1 9.7 20.2 30.5 58 58 A E H 3> S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.892 97.8 55.0 -57.5 -41.8 7.0 19.4 28.0 59 59 A Y H <> S+ 0 0 6 -3,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.923 112.4 41.6 -55.8 -48.3 9.5 17.5 25.9 60 60 A W H X S+ 0 0 42 -4,-1.0 4,-2.4 2,-0.2 -15,-0.5 0.854 114.9 50.3 -73.5 -36.5 10.6 15.3 28.8 61 61 A E H X S+ 0 0 135 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.964 116.1 41.0 -64.7 -52.9 7.0 14.8 30.1 62 62 A E H X S+ 0 0 56 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.917 114.9 52.6 -60.7 -44.7 5.6 13.7 26.7 63 63 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.915 110.4 47.7 -57.6 -46.0 8.8 11.7 26.0 64 64 A T H X S+ 0 0 21 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.934 110.5 52.3 -60.1 -47.6 8.4 9.8 29.3 65 65 A R H X S+ 0 0 119 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.940 111.7 45.1 -53.9 -51.8 4.7 9.2 28.6 66 66 A R H X S+ 0 0 25 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.856 110.9 55.2 -63.0 -36.0 5.4 7.7 25.2 67 67 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.957 110.3 44.0 -60.9 -52.1 8.2 5.6 26.7 68 68 A K H X S+ 0 0 109 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.907 111.4 55.0 -60.1 -43.1 6.0 4.1 29.3 69 69 A E H X S+ 0 0 63 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.942 108.4 48.4 -52.6 -50.5 3.3 3.6 26.7 70 70 A A H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.883 109.0 54.8 -58.4 -40.4 5.8 1.7 24.6 71 71 A A H X S+ 0 0 12 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.961 109.8 44.4 -57.9 -54.3 6.8 -0.4 27.7 72 72 A Q H X S+ 0 0 77 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.908 111.1 55.9 -57.7 -43.1 3.2 -1.5 28.3 73 73 A T H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.912 107.7 48.1 -53.8 -46.0 2.8 -2.2 24.6 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.782 108.9 54.7 -69.5 -27.8 5.9 -4.5 24.8 75 75 A R H X S+ 0 0 54 -4,-1.8 4,-2.4 2,-0.2 3,-0.5 0.967 110.0 45.0 -64.6 -54.0 4.4 -6.2 27.8 76 76 A E H X S+ 0 0 82 -4,-2.7 4,-2.8 1,-0.3 -2,-0.2 0.880 112.9 52.3 -56.8 -39.4 1.2 -7.0 26.0 77 77 A N H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.3 0.793 106.0 54.8 -67.4 -29.5 3.2 -8.1 23.0 78 78 A L H X S+ 0 0 8 -4,-1.3 4,-2.5 -3,-0.5 -2,-0.2 0.934 110.6 44.5 -68.0 -47.4 5.2 -10.4 25.4 79 79 A R H X S+ 0 0 134 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.968 113.6 49.5 -58.1 -54.0 2.0 -12.1 26.5 80 80 A T H X S+ 0 0 15 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.853 110.9 52.0 -53.6 -36.7 0.6 -12.3 23.0 81 81 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.921 104.6 54.1 -66.8 -46.1 4.0 -13.8 22.0 82 82 A L H <>S+ 0 0 28 -4,-2.5 5,-3.1 1,-0.2 -1,-0.2 0.846 112.8 46.3 -53.2 -35.6 3.8 -16.4 24.8 83 83 A R H <5S+ 0 0 162 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.799 110.0 52.1 -81.0 -30.8 0.4 -17.3 23.3 84 84 A Y H <5S+ 0 0 44 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.953 118.4 34.3 -69.6 -51.2 1.6 -17.4 19.7 85 85 A Y T <5S- 0 0 65 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.357 110.1-121.0 -87.2 6.3 4.5 -19.8 20.2 86 86 A N T 5 + 0 0 148 -5,-0.2 2,-0.2 1,-0.2 -3,-0.2 0.967 56.8 158.9 51.8 62.5 2.6 -21.7 22.9 87 87 A Q < - 0 0 64 -5,-3.1 2,-0.2 -6,-0.1 -1,-0.2 -0.729 42.0 -99.7-116.4 163.5 5.2 -21.0 25.6 88 88 A S > - 0 0 79 -2,-0.2 3,-0.9 1,-0.1 -1,-0.0 -0.492 16.0-136.9 -82.6 150.6 5.2 -21.0 29.4 89 89 A E T 3 S+ 0 0 163 1,-0.2 -1,-0.1 -2,-0.2 -7,-0.0 0.514 101.3 70.7 -81.5 -5.8 4.9 -17.8 31.5 90 90 A A T 3 S+ 0 0 81 -75,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.496 87.4 82.5 -87.4 -5.4 7.6 -19.2 33.8 91 91 A G S < S- 0 0 28 -3,-0.9 2,-0.3 -77,-0.1 -4,-0.0 -0.743 80.8-119.7-102.5 149.9 10.2 -18.7 31.0 92 92 A S + 0 0 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102 A D E -AE 4 111A 19 9,-1.9 8,-3.2 -2,-0.3 9,-0.6 -0.892 15.7-151.2-116.2 101.8 17.2 8.8 7.5 103 103 A L E -AE 3 109A 15 -100,-0.8 -100,-2.6 -2,-0.6 6,-0.2 -0.583 19.6-152.7 -69.4 120.8 17.3 12.5 6.6 104 104 A G > - 0 0 4 4,-2.4 3,-1.5 -2,-0.5 -1,-0.0 -0.239 30.8 -92.3 -87.1 179.9 18.9 12.9 3.2 105 105 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.781 124.0 54.4 -65.2 -30.1 20.8 15.8 1.6 106 106 A D T 3 S- 0 0 124 2,-0.2 3,-0.1 1,-0.0 -3,-0.0 0.230 120.4-106.3 -90.5 13.8 17.7 17.3 0.1 107 107 A G S < S+ 0 0 36 -3,-1.5 2,-0.3 1,-0.3 -4,-0.1 0.790 83.5 119.3 68.9 29.2 15.9 17.4 3.4 108 108 A R S S- 0 0 179 -6,-0.1 -4,-2.4 57,-0.0 2,-0.3 -0.869 76.8 -82.3-125.4 157.9 13.7 14.5 2.5 109 109 A L E +E 103 0A 28 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.417 42.6 175.6 -62.3 117.5 13.1 10.9 3.8 110 110 A L E - 0 0 110 -8,-3.2 2,-0.3 1,-0.3 -1,-0.2 0.877 65.6 -6.6 -89.5 -46.0 15.9 8.7 2.5 111 111 A R E -E 102 0A 141 -9,-0.6 -9,-1.9 49,-0.1 -1,-0.3 -0.993 60.8-145.9-153.1 146.5 15.1 5.5 4.3 112 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