==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 29-JUL-07 2QRS . COMPND 2 MOLECULE: H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN K-B ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR V.E.MITAKSOV,D.H.FREMONT . 796 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 62.4 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 . 267 33.5 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 . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 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 . 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 . 50 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 14.6 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 0 0 0 0 0 0 2 0 0 2 0 0 0 2 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 13 5 4 0 8 2 5 2 3 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 1PA S 0 0 10 0, 0.0 289,-0.1 0, 0.0 290,-0.1 0.000 360.0 360.0 360.0 127.7 -13.2 -3.9 34.7 2 2PA I - 0 0 1 1,-0.1 221,-0.0 127,-0.1 147,-0.0 -0.378 360.0-107.5 -72.2 148.4 -13.3 -0.5 33.0 3 3PA I - 0 0 5 1,-0.1 2,-0.7 -2,-0.1 -1,-0.1 -0.222 31.8-105.7 -69.2 163.9 -15.2 2.3 34.7 4 4PA N - 0 0 93 188,-0.0 -1,-0.1 189,-0.0 2,-0.1 -0.862 45.7-126.8 -91.1 119.8 -18.5 3.6 33.2 5 5PA F - 0 0 12 -2,-0.7 2,-0.4 1,-0.0 191,-0.1 -0.366 11.0-138.7 -74.6 151.2 -17.6 6.9 31.7 6 6PA E - 0 0 74 -2,-0.1 -1,-0.0 1,-0.1 264,-0.0 -0.895 34.8 -97.5-106.5 133.8 -19.3 10.2 32.3 7 7PA K - 0 0 82 -2,-0.4 190,-0.1 1,-0.1 -1,-0.1 -0.160 16.9-139.2 -52.6 140.4 -20.0 12.5 29.4 8 8PA L - 0 0 2 188,-0.2 261,-0.2 1,-0.0 -1,-0.1 0.723 32.3-177.0 -70.2 -25.7 -17.6 15.4 28.8 9 9PA G + 0 0 28 260,-0.1 -2,-0.1 1,-0.1 -1,-0.0 0.655 17.5 155.1 28.0 48.0 -20.6 17.5 28.1 10 10PA G - 0 0 14 190,-0.1 253,-0.1 1,-0.1 252,-0.1 0.160 25.9-170.4 -79.3-158.7 -18.7 20.7 27.2 11 11PA G + 0 0 49 251,-0.2 2,-0.3 1,-0.2 251,-0.1 0.490 53.5 28.2-173.1 -11.8 -20.0 23.5 25.0 12 12PA A + 0 0 58 250,-0.2 253,-0.2 249,-0.1 -1,-0.2 -0.867 37.1 165.6-168.7 132.7 -17.6 26.3 23.9 13 13PA S - 0 0 23 194,-1.4 195,-0.2 193,-0.3 194,-0.1 0.719 37.1-129.1-107.1 -87.7 -13.9 26.8 23.3 14 14PA G - 0 0 44 193,-0.4 194,-0.1 247,-0.0 193,-0.0 0.337 41.4-104.8 140.9 6.7 -12.8 30.0 21.4 15 15PA G S S+ 0 0 55 192,-0.3 193,-0.1 1,-0.1 550,-0.1 0.790 70.0 147.6 49.6 34.0 -10.6 28.5 18.7 16 16PA G - 0 0 40 1,-0.0 -1,-0.1 550,-0.0 549,-0.1 0.885 47.8-141.5 -64.2 -39.3 -7.5 29.7 20.6 17 17PA G + 0 0 74 4,-0.0 5,-0.0 0, 0.0 243,-0.0 0.962 47.9 142.5 76.1 56.0 -5.4 26.7 19.4 18 18PA S S S- 0 0 89 3,-0.0 242,-0.1 551,-0.0 558,-0.0 0.937 72.5 -69.9 -88.9 -66.0 -3.4 25.9 22.5 19 19PA G S S+ 0 0 28 226,-0.1 226,-0.1 240,-0.1 3,-0.1 0.108 100.4 91.0 166.5 61.7 -3.1 22.1 22.7 20 20PA G S S- 0 0 2 1,-0.4 221,-0.4 224,-0.1 2,-0.3 0.446 88.1 -19.0-144.0 -6.7 -6.3 20.3 23.6 21 21PA G S S+ 0 0 16 221,-0.1 -1,-0.4 219,-0.1 221,-0.2 -0.946 80.3 74.6 171.5 169.3 -8.1 19.3 20.4 22 22PA G S S- 0 0 10 -2,-0.3 2,-0.3 195,-0.2 222,-0.1 -0.328 92.6 -37.2 93.3 174.7 -8.7 19.9 16.7 23 23PA S + 0 0 82 -2,-0.1 220,-0.1 1,-0.1 -2,-0.1 -0.586 62.7 145.7 -78.8 128.2 -6.2 18.7 14.1 24 1BA I - 0 0 94 218,-0.4 -1,-0.1 -2,-0.3 85,-0.0 -0.494 41.8-150.8-153.9 66.7 -2.4 18.8 14.9 25 2BA Q - 0 0 82 83,-0.1 2,-0.5 1,-0.1 28,-0.0 0.018 9.3-143.4 -47.9 146.0 -1.1 15.7 13.1 26 3BA K B -A 54 0A 89 28,-2.3 28,-1.8 29,-0.0 83,-0.2 -0.953 21.5-123.7-115.9 127.9 1.9 13.5 13.9 27 4BA T - 0 0 80 -2,-0.5 24,-0.0 26,-0.2 81,-0.0 -0.497 29.2-112.5 -74.4 131.3 4.0 12.0 11.2 28 5BA P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.284 19.3-144.9 -65.6 147.5 4.4 8.2 11.2 29 6BA Q E -B 51 0B 98 22,-2.4 22,-2.3 2,-0.0 2,-0.4 -0.896 22.3-158.3-106.7 143.4 7.8 6.6 11.9 30 7BA I E -B 50 0B 30 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.972 18.5-177.2-132.7 137.4 8.5 3.4 9.9 31 8BA Q E -B 49 0B 35 18,-1.9 18,-2.6 -2,-0.4 2,-0.5 -0.997 7.6-164.5-130.0 135.3 10.7 0.4 10.2 32 9BA V E +B 48 0B 13 -2,-0.4 87,-0.5 16,-0.2 2,-0.3 -0.978 29.6 138.0-119.8 125.2 10.9 -2.4 7.6 33 10BA Y E -B 47 0B 5 14,-1.8 14,-3.2 -2,-0.5 2,-0.2 -0.993 48.8-101.9-163.5 157.3 12.6 -5.7 8.8 34 11BA S E -B 46 0B 14 -2,-0.3 12,-0.2 12,-0.2 -2,-0.0 -0.523 21.2-135.2 -85.7 150.1 12.4 -9.5 8.7 35 12BA R S S+ 0 0 45 10,-2.9 -1,-0.1 -2,-0.2 11,-0.1 0.934 93.6 29.7 -66.8 -43.8 11.1 -11.5 11.6 36 13BA H S S- 0 0 94 9,-0.3 9,-0.1 1,-0.1 -2,-0.1 -0.725 108.6 -75.7-113.4 163.4 14.0 -13.9 11.2 37 14BA P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.350 59.8-109.4 -57.6 129.0 17.5 -13.5 9.8 38 15BA P + 0 0 40 0, 0.0 2,-0.4 0, 0.0 56,-0.0 -0.495 42.7 173.1 -70.2 121.4 17.3 -13.2 6.0 39 16BA E > - 0 0 92 -2,-0.4 3,-2.2 3,-0.3 -3,-0.0 -0.991 38.3-110.4-128.9 120.9 18.6 -16.3 4.2 40 17BA N T 3 S+ 0 0 76 -2,-0.4 56,-0.2 1,-0.3 54,-0.0 -0.230 101.4 16.1 -55.1 131.0 18.1 -16.4 0.5 41 18BA G T 3 S+ 0 0 58 54,-2.6 -1,-0.3 1,-0.2 55,-0.1 0.426 99.6 111.6 87.5 -1.7 15.6 -19.1 -0.6 42 19BA K S < S- 0 0 108 -3,-2.2 -3,-0.3 53,-0.3 -1,-0.2 -0.923 71.7-116.0-111.2 125.7 14.1 -19.5 2.9 43 20BA P + 0 0 107 0, 0.0 51,-0.2 0, 0.0 2,-0.2 -0.195 48.9 153.5 -54.0 144.3 10.5 -18.4 3.7 44 21BA N E - C 0 93B 12 49,-3.1 49,-1.8 -6,-0.0 2,-0.4 -0.758 41.3-100.9-152.8-165.6 10.4 -15.7 6.3 45 22BA I E - C 0 92B 29 47,-0.2 -10,-2.9 -2,-0.2 2,-0.5 -0.999 22.5-150.7-135.9 130.0 8.1 -12.8 7.3 46 23BA L E -BC 34 91B 0 45,-3.1 45,-2.3 -2,-0.4 2,-0.3 -0.893 16.2-157.1-104.7 132.6 8.6 -9.2 6.5 47 24BA N E -BC 33 90B 0 -14,-3.2 -14,-1.8 -2,-0.5 2,-0.5 -0.811 17.3-165.7-109.9 148.1 7.3 -6.5 8.9 48 25BA a E -BC 32 89B 0 41,-3.3 41,-2.8 -2,-0.3 2,-0.7 -0.927 16.5-166.0-130.5 103.2 6.4 -2.9 8.5 49 26BA Y E -BC 31 88B 39 -18,-2.6 -18,-1.9 -2,-0.5 2,-0.5 -0.845 4.6-169.3 -96.8 117.3 6.1 -1.4 11.9 50 27BA V E +BC 30 87B 0 37,-2.8 37,-2.4 -2,-0.7 2,-0.2 -0.933 14.9 160.3-115.6 123.8 4.4 2.0 11.9 51 28BA T E +B 29 0B 20 -22,-2.3 -22,-2.4 -2,-0.5 35,-0.2 -0.717 40.7 36.7-132.7 176.9 4.4 4.2 14.9 52 29BA Q E S+ 0 0 57 -2,-0.2 2,-0.2 -24,-0.2 34,-0.2 0.620 75.4 140.1 53.4 26.3 3.9 7.7 16.3 53 30BA F E - C 0 85B 0 32,-1.4 32,-2.7 -3,-0.1 -26,-0.2 -0.622 35.6-147.1-103.9 158.2 1.1 8.8 14.0 54 31BA H B S+A 26 0A 7 -28,-1.8 -28,-2.3 -2,-0.2 30,-0.1 -0.853 74.4 44.9-164.5 132.5 -2.1 10.9 14.5 55 32BA P S S- 0 0 31 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.486 83.7-130.6 -63.7 168.6 -5.0 10.8 13.3 56 33BA P S S+ 0 0 13 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.737 77.6 102.3 -69.2 -23.5 -5.4 7.0 13.4 57 34BA H + 0 0 115 2,-0.0 51,-0.4 50,-0.0 2,-0.3 -0.448 49.7 153.4 -64.0 128.7 -6.6 6.6 9.8 58 35BA I - 0 0 18 -2,-0.2 2,-0.5 49,-0.1 49,-0.2 -0.994 37.1-140.8-156.3 152.1 -3.7 5.3 7.8 59 36BA E E -F 106 0C 94 47,-2.4 47,-2.7 -2,-0.3 2,-0.5 -0.973 19.8-173.7-122.0 124.5 -3.0 3.3 4.6 60 37BA I E +F 105 0C 19 -2,-0.5 2,-0.3 45,-0.2 45,-0.2 -0.964 7.7 169.7-124.9 129.1 -0.2 0.7 4.5 61 38BA Q E -F 104 0C 68 43,-2.6 43,-3.4 -2,-0.5 2,-0.4 -0.948 20.5-146.6-131.1 151.5 1.0 -1.3 1.5 62 39BA M E -F 103 0C 0 7,-0.4 7,-3.1 -2,-0.3 2,-0.3 -0.955 18.4-154.2-119.2 140.3 4.0 -3.4 1.1 63 40BA L E -FG 102 68C 9 39,-2.9 39,-1.9 -2,-0.4 2,-0.5 -0.895 13.9-158.9-120.8 145.7 5.8 -3.6 -2.3 64 41BA K E > S-FG 101 67C 87 3,-3.0 3,-2.4 -2,-0.3 37,-0.2 -0.983 87.3 -21.3-121.5 115.9 8.0 -6.2 -4.1 65 42BA N T 3 S- 0 0 72 35,-2.9 -1,-0.1 -2,-0.5 36,-0.1 0.889 130.0 -50.0 49.8 45.1 10.1 -4.7 -6.8 66 43BA G T 3 S+ 0 0 54 34,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.324 117.1 113.0 80.5 -9.5 7.7 -1.8 -7.0 67 44BA K E < S-G 64 0C 154 -3,-2.4 -3,-3.0 1,-0.0 -1,-0.2 -0.840 73.7-108.9-102.2 133.2 4.6 -4.0 -7.2 68 45BA K E -G 63 0C 119 -2,-0.5 -5,-0.2 -5,-0.2 -1,-0.0 -0.259 26.6-129.8 -56.1 135.8 2.0 -4.1 -4.5 69 46BA I - 0 0 22 -7,-3.1 -7,-0.4 1,-0.1 3,-0.1 -0.800 15.1-152.6 -88.2 121.5 2.0 -7.3 -2.5 70 47BA P S S+ 0 0 103 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.863 79.3 60.1 -64.8 -39.2 -1.7 -8.5 -2.4 71 48BA K + 0 0 169 21,-0.1 2,-0.5 2,-0.0 21,-0.3 -0.725 63.3 149.6-101.6 91.7 -1.6 -10.5 0.8 72 49BA V - 0 0 36 -2,-1.0 19,-0.2 19,-0.1 2,-0.2 -0.970 31.9-148.1-122.9 116.3 -0.6 -8.2 3.7 73 50BA E E -D 90 0B 126 17,-2.3 17,-2.3 -2,-0.5 2,-0.4 -0.540 8.1-151.0 -84.0 150.1 -1.8 -8.8 7.2 74 51BA M E -D 89 0B 90 15,-0.2 15,-0.2 -2,-0.2 3,-0.1 -0.973 6.8-139.1-124.1 131.2 -2.5 -6.1 9.7 75 52BA S - 0 0 46 13,-2.7 2,-0.0 -2,-0.4 15,-0.0 -0.323 42.5 -85.4 -76.3 168.6 -2.3 -6.3 13.4 76 53BA D - 0 0 68 1,-0.1 12,-0.3 11,-0.1 2,-0.2 -0.381 52.3-107.1 -69.1 156.9 -5.0 -4.6 15.5 77 54BA M + 0 0 37 10,-0.1 2,-0.3 -3,-0.1 10,-0.2 -0.626 41.1 172.8 -90.6 150.8 -4.2 -0.9 16.2 78 55BA S E -E 86 0B 16 8,-2.0 8,-2.5 -2,-0.2 2,-0.3 -0.852 19.0-136.1-140.5 173.1 -3.1 0.5 19.6 79 56BA F E -E 85 0B 5 6,-0.3 6,-0.3 -2,-0.3 5,-0.1 -0.969 14.9-126.7-137.1 155.7 -1.9 3.8 20.9 80 57BA S > - 0 0 33 4,-3.3 3,-2.0 -2,-0.3 6,-0.0 -0.293 37.4 -92.4 -92.2 178.0 0.9 4.9 23.3 81 58BA K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 140,-0.0 0.744 126.8 58.5 -64.9 -21.1 1.0 7.0 26.4 82 59BA D T 3 S- 0 0 75 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.252 119.2-113.4 -91.6 16.6 1.7 10.1 24.2 83 60BA W S < S+ 0 0 12 -3,-2.0 -2,-0.1 1,-0.2 2,-0.1 0.274 74.6 132.4 75.1 -8.8 -1.6 9.3 22.4 84 61BA S - 0 0 4 -5,-0.1 -4,-3.3 1,-0.1 -1,-0.2 -0.460 52.6-124.6 -79.1 149.2 0.1 8.4 19.1 85 62BA F E -CE 53 79B 3 -32,-2.7 -32,-1.4 -6,-0.3 2,-0.3 -0.466 23.6-170.8 -91.3 161.0 -1.0 5.2 17.3 86 63BA Y E + E 0 78B 59 -8,-2.5 -8,-2.0 -35,-0.2 2,-0.3 -0.992 7.2 170.5-150.0 153.9 1.0 2.2 16.2 87 64BA I E -C 50 0B 12 -37,-2.4 -37,-2.8 -2,-0.3 2,-0.5 -0.986 24.2-131.4-161.2 153.5 0.4 -0.9 14.1 88 65BA L E -C 49 0B 15 -12,-0.3 -13,-2.7 -2,-0.3 2,-0.4 -0.961 16.8-172.8-119.6 125.1 2.2 -3.8 12.6 89 66BA A E +CD 48 74B 0 -41,-2.8 -41,-3.3 -2,-0.5 2,-0.3 -0.848 16.2 168.8-108.7 147.1 1.8 -4.9 9.0 90 67BA H E -CD 47 73B 37 -17,-2.3 -17,-2.3 -2,-0.4 2,-0.3 -0.995 16.4-170.5-158.3 157.7 3.5 -8.0 7.8 91 68BA T E -C 46 0B 7 -45,-2.3 -45,-3.1 -2,-0.3 2,-0.2 -0.997 31.0-106.9-150.1 149.8 3.6 -10.5 4.9 92 69BA E E +C 45 0B 159 -21,-0.3 2,-0.3 -2,-0.3 -47,-0.2 -0.517 49.5 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