==== 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 HISTOCOMPATIBILITY COMPLEX 24-MAR-97 1AGF . COMPND 2 MOLECULE: B*0801; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.W.REID,S.MCADAM,K.J.SMITH,P.KLENERMAN,C.A.O'CALLAGHAN, . 383 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 65.8 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 . 1 0.3 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 . 21 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.8 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 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 75 0, 0.0 103,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 177.3 -32.7 -68.4 30.2 2 2 A S + 0 0 54 101,-2.2 2,-0.3 1,-0.3 102,-0.2 0.532 360.0 47.5-150.9 -15.1 -30.8 -65.2 30.1 3 3 A H E -A 103 0A 27 100,-2.3 100,-3.0 26,-0.1 2,-0.3 -0.991 44.0-173.3-141.7 152.7 -32.4 -62.2 28.3 4 4 A S E -A 102 0A 29 -2,-0.3 25,-2.6 98,-0.3 2,-0.4 -0.967 10.5-160.5-138.6 144.9 -35.6 -60.2 27.9 5 5 A M E +AB 101 28A 0 96,-2.5 96,-1.1 -2,-0.3 2,-0.3 -0.990 26.4 172.6-117.7 138.5 -36.9 -57.4 25.7 6 6 A R E -AB 100 27A 37 21,-2.4 21,-3.0 -2,-0.4 2,-0.4 -0.997 25.3-151.5-152.6 140.5 -39.9 -55.6 27.0 7 7 A Y E -AB 99 26A 0 92,-2.6 92,-1.8 -2,-0.3 2,-0.5 -0.941 8.3-161.4-110.5 135.0 -42.0 -52.5 26.2 8 8 A F E -AB 98 25A 27 17,-2.6 17,-1.7 -2,-0.4 2,-0.4 -0.951 13.5-175.2-118.6 100.9 -43.8 -50.6 29.0 9 9 A D E -AB 97 24A 0 88,-2.8 88,-2.3 -2,-0.5 2,-0.4 -0.867 5.0-171.6-104.1 132.8 -46.6 -48.4 27.5 10 10 A T E -AB 96 23A 1 13,-2.7 13,-2.3 -2,-0.4 2,-0.4 -0.996 4.3-175.9-126.6 123.3 -48.6 -46.0 29.7 11 11 A A E -AB 95 22A 1 84,-2.8 84,-2.7 -2,-0.4 2,-0.4 -0.991 7.9-177.5-119.0 125.7 -51.7 -44.2 28.5 12 12 A M E -AB 94 21A 16 9,-2.3 9,-2.1 -2,-0.4 82,-0.2 -0.987 16.5-144.6-128.8 122.8 -53.3 -41.7 30.9 13 13 A S - 0 0 18 80,-2.6 6,-0.1 -2,-0.4 80,-0.1 -0.492 13.0-174.4 -80.5 155.1 -56.5 -39.7 30.2 14 14 A R > - 0 0 40 4,-0.5 3,-2.3 78,-0.1 78,-0.1 -0.594 18.7-145.5-150.9 79.5 -56.7 -36.2 31.6 15 15 A P T 3 S+ 0 0 58 0, 0.0 4,-0.1 0, 0.0 77,-0.1 -0.235 85.3 16.3 -53.9 125.8 -60.2 -34.7 30.9 16 16 A G T 3 S+ 0 0 88 2,-0.2 3,-0.1 1,-0.0 74,-0.0 0.321 115.5 75.9 93.1 -7.3 -60.0 -31.0 30.2 17 17 A R S < S- 0 0 153 -3,-2.3 2,-0.1 1,-0.5 -1,-0.0 -0.182 106.0 -88.7-129.0 38.7 -56.3 -31.1 29.6 18 18 A G - 0 0 53 2,-0.0 -1,-0.5 -5,-0.0 -4,-0.5 -0.392 69.6 -23.8 91.9-170.7 -56.2 -32.6 26.1 19 19 A E S S- 0 0 105 1,-0.2 -7,-0.1 -2,-0.1 56,-0.0 -0.419 84.3 -74.5 -77.3 156.1 -56.0 -36.1 24.8 20 20 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -7,-0.3 -0.223 51.2-121.6 -55.2 128.8 -54.6 -39.0 26.8 21 21 A R E -B 12 0A 88 -9,-2.1 -9,-2.3 -3,-0.1 2,-0.4 -0.599 26.9-160.8 -74.6 137.0 -50.9 -38.9 27.1 22 22 A F E +B 11 0A 1 -2,-0.3 16,-3.0 -11,-0.2 2,-0.4 -0.968 13.0 173.7-122.4 126.7 -49.0 -42.0 25.8 23 23 A I E -BC 10 37A 9 -13,-2.3 -13,-2.7 -2,-0.4 2,-0.4 -0.990 5.5-174.8-131.5 137.1 -45.5 -42.9 26.6 24 24 A S E -BC 9 36A 0 12,-2.8 12,-1.4 -2,-0.4 2,-0.4 -0.990 0.8-175.9-134.2 126.4 -43.6 -46.1 25.6 25 25 A V E -BC 8 35A 0 -17,-1.7 -17,-2.6 -2,-0.4 2,-0.4 -0.963 12.0-152.1-119.6 137.9 -40.2 -47.1 26.8 26 26 A G E -BC 7 34A 0 8,-1.8 7,-2.6 -2,-0.4 8,-1.2 -0.920 13.6-172.0-110.9 143.6 -38.4 -50.2 25.5 27 27 A Y E -BC 6 32A 27 -21,-3.0 -21,-2.4 -2,-0.4 2,-0.5 -0.948 24.9-153.7-133.2 149.8 -35.8 -52.2 27.5 28 28 A V E > S-BC 5 31A 0 3,-2.8 3,-2.6 -2,-0.3 -23,-0.2 -1.000 82.9 -47.6-117.9 115.1 -33.4 -55.1 26.9 29 29 A D T 3 S- 0 0 32 -25,-2.6 -23,-0.1 -2,-0.5 -26,-0.1 -0.239 124.8 -21.8 52.9-126.6 -33.0 -56.5 30.5 30 30 A D T 3 S+ 0 0 63 -3,-0.1 2,-0.5 149,-0.1 -1,-0.3 0.131 119.2 98.8 -99.2 23.7 -32.4 -53.5 32.7 31 31 A T E < -C 28 0A 22 -3,-2.6 -3,-2.8 148,-0.0 2,-0.3 -0.936 65.5-144.9-113.9 116.9 -31.1 -51.3 29.9 32 32 A Q E +C 27 0A 27 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.624 23.8 169.4 -78.0 139.4 -33.5 -48.8 28.3 33 33 A F E + 0 0 0 -7,-2.6 15,-2.2 1,-0.3 16,-0.8 0.555 57.8 20.9-124.8 -16.3 -33.0 -48.4 24.6 34 34 A V E -CD 26 47A 0 -8,-1.2 -8,-1.8 13,-0.3 2,-0.3 -0.975 52.4-172.2-149.9 159.2 -36.0 -46.4 23.2 35 35 A R E -CD 25 46A 68 11,-1.3 11,-2.5 -2,-0.3 2,-0.3 -0.971 1.9-171.0-149.5 155.3 -38.7 -44.0 24.3 36 36 A F E -C 24 0A 1 -12,-1.4 -12,-2.8 -2,-0.3 2,-0.4 -0.949 4.0-177.4-149.9 134.8 -41.8 -42.4 22.7 37 37 A D E > -C 23 0A 30 7,-0.3 3,-2.2 -2,-0.3 -14,-0.2 -0.960 22.4-153.5-139.5 117.3 -44.0 -39.7 24.2 38 38 A S T 3 S+ 0 0 23 -16,-3.0 -15,-0.1 -2,-0.4 -1,-0.1 0.654 98.2 62.5 -64.1 -17.7 -47.1 -38.3 22.5 39 39 A D T 3 S+ 0 0 70 -17,-0.3 -1,-0.3 3,-0.1 2,-0.1 0.353 76.9 111.8 -87.0 0.4 -46.5 -35.1 24.4 40 40 A A S < S- 0 0 33 -3,-2.2 -4,-0.0 1,-0.1 0, 0.0 -0.453 85.2-111.5 -71.1 151.3 -43.1 -34.4 22.7 41 41 A A S S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.928 115.7 12.7 -47.9 -45.3 -43.0 -31.4 20.3 42 42 A S S S- 0 0 87 2,-0.1 -1,-0.3 -5,-0.0 2,-0.1 -0.875 93.2-139.9-134.9 92.1 -42.6 -34.0 17.5 43 43 A P + 0 0 30 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.355 39.6 144.4 -58.1 127.1 -43.3 -37.5 18.8 44 44 A R - 0 0 136 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.3 -0.961 57.6 -93.3-159.1 155.7 -41.0 -40.1 17.5 45 45 A E - 0 0 4 15,-0.5 -9,-0.2 -2,-0.3 19,-0.2 -0.673 53.2-170.0 -73.5 121.8 -39.3 -43.3 18.7 46 46 A E E -D 35 0A 32 -11,-2.5 -11,-1.3 -2,-0.4 2,-0.1 -0.957 23.4-104.5-125.2 147.2 -35.9 -42.1 19.9 47 47 A P E +D 34 0A 49 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.359 30.9 170.7 -67.3 135.8 -32.6 -43.9 21.1 48 48 A R + 0 0 100 -15,-2.2 -14,-0.2 1,-0.2 -16,-0.2 0.186 69.9 53.9-127.4 11.7 -31.9 -44.1 24.8 49 49 A A S >> S- 0 0 5 -16,-0.8 3,-1.6 1,-0.1 4,-0.7 -0.989 80.6-126.8-148.8 136.9 -28.9 -46.5 24.4 50 50 A P G >4 S+ 0 0 104 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.847 104.4 58.3 -48.7 -49.6 -25.8 -46.2 22.1 51 51 A W G 34 S+ 0 0 15 1,-0.2 3,-0.2 2,-0.2 125,-0.1 0.592 100.9 56.2 -64.3 -14.0 -26.1 -49.6 20.4 52 52 A I G X4 S+ 0 0 0 -3,-1.6 3,-2.2 1,-0.2 -1,-0.2 0.718 87.9 78.1 -91.4 -17.4 -29.6 -48.7 18.9 53 53 A E T << S+ 0 0 125 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.750 80.8 67.9 -62.8 -24.7 -28.4 -45.6 17.2 54 54 A Q T 3 S+ 0 0 117 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.590 75.3 108.5 -70.5 -14.3 -26.9 -47.6 14.4 55 55 A E S < S- 0 0 13 -3,-2.2 5,-0.1 1,-0.1 -3,-0.0 -0.446 74.0-112.6 -64.5 142.2 -30.4 -48.6 13.2 56 56 A G >> - 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