==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 20-MAR-13 4JQV . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-18 ALPH . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.THEODOSSIS,A.WELLAND,S.GRAS,J.ROSSJOHN . 383 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 64.2 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 . 138 36.0 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 . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 15.1 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 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 7 2 2 0 4 0 1 3 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 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 53 0, 0.0 2,-0.2 0, 0.0 102,-0.0 0.000 360.0 360.0 360.0-102.4 -23.6 -25.4 24.6 2 2 A S - 0 0 71 102,-0.1 2,-0.3 104,-0.1 102,-0.2 -0.549 360.0-170.2 -90.5 156.6 -19.9 -24.8 25.3 3 3 A H E -A 103 0A 23 100,-2.4 100,-3.0 -2,-0.2 2,-0.3 -0.941 9.6-156.2-144.9 163.2 -18.5 -21.6 26.7 4 4 A S E -A 102 0A 26 -2,-0.3 25,-2.1 98,-0.2 2,-0.4 -0.985 10.7-154.1-140.9 148.4 -15.3 -19.7 27.4 5 5 A M E +AB 101 28A 0 96,-2.4 96,-1.4 -2,-0.3 2,-0.4 -0.999 28.8 173.8-113.2 131.2 -13.8 -17.0 29.6 6 6 A R E -AB 100 27A 35 21,-2.5 21,-2.8 -2,-0.4 2,-0.4 -0.999 21.6-156.0-140.5 136.5 -10.9 -15.2 28.1 7 7 A Y E -AB 99 26A 0 92,-2.7 92,-1.8 -2,-0.4 2,-0.5 -0.926 9.9-155.3-108.0 140.7 -8.8 -12.2 29.1 8 8 A F E -AB 98 25A 22 17,-2.7 17,-2.0 -2,-0.4 2,-0.5 -0.958 9.5-167.4-120.8 112.9 -6.9 -10.2 26.4 9 9 A H E -AB 97 24A 0 88,-3.2 88,-2.1 -2,-0.5 2,-0.4 -0.884 6.8-179.4-105.7 127.1 -3.9 -8.3 27.6 10 10 A T E +AB 96 23A 3 13,-2.7 13,-2.6 -2,-0.5 2,-0.4 -0.990 1.4 178.2-127.9 122.9 -2.2 -5.6 25.4 11 11 A S E -AB 95 22A 3 84,-2.3 84,-2.8 -2,-0.4 2,-0.4 -0.992 6.5-175.7-123.4 129.1 0.9 -3.7 26.6 12 12 A V E -AB 94 21A 22 9,-2.0 9,-1.6 -2,-0.4 82,-0.2 -0.975 15.4-143.9-132.8 120.5 2.5 -1.2 24.3 13 13 A S - 0 0 20 80,-2.8 6,-0.1 -2,-0.4 5,-0.0 -0.450 12.9-174.3 -78.9 157.9 5.7 0.7 24.9 14 14 A R > - 0 0 39 4,-0.5 3,-2.7 78,-0.1 78,-0.1 -0.575 17.9-145.1-154.2 76.5 6.0 4.3 23.7 15 15 A P T 3 S+ 0 0 59 0, 0.0 4,-0.1 0, 0.0 77,-0.1 -0.223 86.5 15.6 -55.0 129.6 9.5 5.8 24.2 16 16 A G T 3 S+ 0 0 86 2,-0.2 3,-0.1 1,-0.0 74,-0.0 0.267 114.6 78.0 91.1 -9.2 9.3 9.5 25.0 17 17 A R S < S- 0 0 149 -3,-2.7 2,-0.1 1,-0.5 -1,-0.0 -0.111 105.1 -89.7-125.2 37.0 5.6 9.3 25.8 18 18 A G - 0 0 53 2,-0.0 -1,-0.5 3,-0.0 -4,-0.5 -0.381 69.2 -27.3 91.7-170.2 5.6 7.8 29.3 19 19 A E S S- 0 0 104 1,-0.2 -7,-0.1 -2,-0.1 56,-0.0 -0.327 82.9 -74.0 -79.4 160.3 5.5 4.2 30.5 20 20 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.284 48.2-123.9 -60.5 134.1 3.9 1.4 28.5 21 21 A R E -B 12 0A 89 -9,-1.6 -9,-2.0 -3,-0.1 2,-0.5 -0.616 22.7-157.4 -76.7 135.3 0.1 1.4 28.5 22 22 A F E -B 11 0A 1 -2,-0.3 16,-2.7 -11,-0.2 2,-0.4 -0.973 11.7-179.9-115.2 127.1 -1.6 -1.8 29.7 23 23 A I E -BC 10 37A 17 -13,-2.6 -13,-2.7 -2,-0.5 2,-0.4 -0.991 2.6-175.6-122.2 132.5 -5.1 -2.7 28.7 24 24 A S E -BC 9 36A 1 12,-2.3 12,-1.7 -2,-0.4 2,-0.4 -0.998 2.3-177.8-123.1 132.0 -7.0 -5.8 29.8 25 25 A V E -BC 8 35A 0 -17,-2.0 -17,-2.7 -2,-0.4 2,-0.4 -0.982 12.2-149.5-125.3 142.6 -10.4 -6.8 28.6 26 26 A G E -BC 7 34A 0 8,-2.1 7,-3.0 -2,-0.4 8,-1.2 -0.917 13.8-174.3-113.0 141.3 -12.4 -9.8 29.7 27 27 A Y E -BC 6 32A 28 -21,-2.8 -21,-2.5 -2,-0.4 2,-0.5 -0.960 23.4-156.9-128.4 145.4 -14.9 -11.8 27.7 28 28 A V E > S-BC 5 31A 0 3,-2.5 3,-2.6 -2,-0.3 -23,-0.2 -0.998 81.4 -48.3-111.2 118.8 -17.4 -14.6 28.2 29 29 A D T 3 S- 0 0 40 -25,-2.1 -23,-0.1 -2,-0.5 -26,-0.1 -0.314 125.2 -20.5 51.6-129.0 -17.8 -16.1 24.7 30 30 A G T 3 S+ 0 0 35 149,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.288 119.1 96.9 -89.9 11.1 -18.4 -13.0 22.4 31 31 A T E < -C 28 0A 21 -3,-2.6 -3,-2.5 148,-0.0 2,-0.2 -0.885 65.1-145.3-108.3 114.8 -19.5 -10.8 25.3 32 32 A Q E +C 27 0A 29 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.545 24.2 168.8 -72.1 140.1 -17.1 -8.3 26.9 33 33 A F E + 0 0 0 -7,-3.0 15,-2.5 1,-0.3 16,-0.8 0.566 55.5 24.3-130.8 -17.1 -17.7 -7.9 30.6 34 34 A V E -CD 26 47A 1 -8,-1.2 -8,-2.1 13,-0.3 -1,-0.3 -0.985 53.1-173.2-143.4 161.0 -14.8 -6.0 32.1 35 35 A R E -CD 25 46A 73 11,-1.6 11,-2.9 -2,-0.3 2,-0.3 -0.973 5.5-171.1-144.4 159.0 -12.0 -3.6 31.2 36 36 A F E -C 24 0A 2 -12,-1.7 -12,-2.3 -2,-0.3 2,-0.4 -0.954 6.0-175.7-145.8 136.8 -8.9 -2.1 32.8 37 37 A D E > -C 23 0A 36 7,-0.3 3,-1.9 -2,-0.3 -14,-0.2 -0.957 19.8-155.6-139.1 113.9 -6.8 0.7 31.3 38 38 A S T 3 S+ 0 0 21 -16,-2.7 -15,-0.1 -2,-0.4 -1,-0.1 0.661 96.2 60.6 -62.5 -16.9 -3.6 2.0 32.9 39 39 A D T 3 S+ 0 0 70 -17,-0.3 -1,-0.3 3,-0.1 -16,-0.1 0.505 79.3 114.4 -87.4 -6.0 -4.1 5.3 31.1 40 40 A A S < S- 0 0 35 -3,-1.9 -4,-0.0 1,-0.1 0, 0.0 -0.251 81.9-113.8 -62.6 153.3 -7.5 6.0 32.7 41 41 A A S S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.923 114.8 13.7 -53.1 -44.1 -7.7 9.0 35.0 42 42 A S S S- 0 0 89 2,-0.1 -1,-0.3 -5,-0.0 -3,-0.1 -0.764 92.2-139.9-132.4 88.2 -8.3 6.5 37.8 43 43 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.247 39.7 148.4 -56.0 123.5 -7.4 3.0 36.6 44 44 A R - 0 0 92 -7,-0.2 2,-0.4 -9,-0.1 -7,-0.3 -0.983 56.7 -98.2-149.5 148.8 -9.9 0.5 37.9 45 45 A T - 0 0 7 15,-0.5 -9,-0.2 -2,-0.3 19,-0.1 -0.627 53.1-163.1 -66.2 128.1 -11.4 -2.8 36.7 46 46 A E E -D 35 0A 65 -11,-2.9 -11,-1.6 -2,-0.4 2,-0.1 -0.915 18.7-112.1-124.6 140.9 -14.7 -1.6 35.3 47 47 A P E +D 34 0A 52 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.470 29.3 173.3 -70.6 142.7 -18.0 -3.4 34.4 48 48 A R + 0 0 99 -15,-2.5 -14,-0.2 1,-0.2 -16,-0.1 0.244 66.2 50.9-131.4 8.1 -18.8 -3.6 30.7 49 49 A A S >> S- 0 0 5 -16,-0.8 3,-1.1 1,-0.1 4,-0.6 -0.986 81.1-124.8-141.2 145.9 -21.9 -5.9 30.8 50 50 A P G >4 S+ 0 0 103 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.854 103.6 60.7 -61.9 -34.9 -24.9 -5.5 33.0 51 51 A W G 34 S+ 0 0 25 1,-0.3 3,-0.4 2,-0.2 125,-0.1 0.691 99.7 55.2 -71.4 -17.3 -24.8 -8.9 34.7 52 52 A I G X4 S+ 0 0 0 -3,-1.1 3,-2.0 1,-0.2 -1,-0.3 0.674 85.7 83.7 -85.4 -15.5 -21.4 -8.4 36.2 53 53 A E T << S+ 0 0 124 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.761 77.5 67.9 -62.6 -25.5 -22.4 -5.2 38.0 54 54 A Q T 3 S+ 0 0 92 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.631 73.4 112.3 -69.6 -14.5 -23.9 -7.1 40.9 55 55 A E S < S- 0 0 19 -3,-2.0 5,-0.0 1,-0.1 -3,-0.0 -0.343 71.9-114.2 -61.4 144.2 -20.4 -8.3 42.0 56 56 A G >> - 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