==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 04-DEC-01 1KJ2 . COMPND 2 MOLECULE: ALLOGENEIC H-2KB MHC CLASS I MOLECULE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.-B.REISER,C.GREGOIRE,C.DARNAULT,T.MOSSER,A.GUIMEZANES,A.-M . 1223 10 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 827 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 452 37.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 15 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 1.5 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 . 125 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 1 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 . 6 16 12 12 0 20 0 4 7 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 . 2 0 4 9 3 0 1 1 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 H G 0 0 72 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.9 10.7 -6.6 48.6 2 2 H P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 102,-0.2 -0.513 360.0-169.4 -85.1 159.8 10.8 -4.4 51.7 3 3 H H E -A 103 0A 53 100,-2.2 100,-2.1 -2,-0.1 2,-0.3 -0.907 0.6-162.9-139.7 165.4 9.3 -5.4 55.1 4 4 H S E -A 102 0A 10 -2,-0.3 25,-3.6 98,-0.2 2,-0.5 -0.999 19.0-150.7-156.3 152.8 8.7 -3.6 58.3 5 5 H L E +AB 101 28A 0 96,-2.1 96,-2.7 -2,-0.3 2,-0.3 -0.992 32.3 166.4-120.9 123.4 8.0 -4.0 62.0 6 6 H R E -AB 100 27A 19 21,-2.0 21,-2.4 -2,-0.5 2,-0.4 -0.981 24.2-147.2-140.5 153.1 5.9 -1.2 63.5 7 7 H Y E -AB 99 26A 0 92,-2.5 92,-1.7 -2,-0.3 2,-0.8 -0.981 3.6-154.4-126.1 128.9 3.9 -0.6 66.7 8 8 H F E -A 98 0A 13 17,-2.7 17,-0.5 -2,-0.4 2,-0.3 -0.890 20.7-171.3-105.4 107.8 0.8 1.4 67.1 9 9 H V E -A 97 0A 0 88,-1.9 88,-1.7 -2,-0.8 2,-0.4 -0.776 5.5-173.4-102.7 143.6 0.5 2.6 70.7 10 10 H T E +AC 96 23A 6 13,-2.2 13,-2.2 -2,-0.3 2,-0.4 -0.999 12.4 177.2-138.9 135.9 -2.5 4.4 72.2 11 11 H A E +AC 95 22A 1 84,-2.5 84,-2.9 -2,-0.4 2,-0.5 -0.936 12.0 177.6-139.3 109.2 -3.0 6.0 75.6 12 12 H V E -AC 94 21A 24 9,-2.0 9,-2.8 -2,-0.4 2,-0.4 -0.973 20.2-140.1-119.6 125.7 -6.4 7.6 76.0 13 13 H S - 0 0 24 80,-2.4 80,-0.2 -2,-0.5 6,-0.1 -0.680 11.4-164.0 -86.8 133.6 -7.4 9.3 79.3 14 14 H R - 0 0 67 -2,-0.4 2,-0.2 4,-0.4 78,-0.1 -0.972 21.9-126.7-120.8 115.6 -10.8 8.8 80.7 15 15 H P S S- 0 0 58 0, 0.0 2,-2.8 0, 0.0 75,-0.1 -0.406 82.9 -20.3 -63.1 126.2 -11.9 11.2 83.4 16 16 H G S S+ 0 0 86 1,-0.2 2,-1.3 -2,-0.2 3,-0.1 -0.144 111.8 100.0 70.0 -46.4 -13.2 9.6 86.5 17 17 H L S S- 0 0 143 -2,-2.8 -1,-0.2 1,-0.1 2,-0.2 0.206 100.4 -95.4 -57.8 20.5 -13.9 6.4 84.6 18 18 H G - 0 0 48 -2,-1.3 -4,-0.4 -4,-0.1 -1,-0.1 -0.527 70.0 -15.2 99.7-166.7 -10.6 5.1 86.1 19 19 H E S S- 0 0 109 -2,-0.2 -5,-0.2 1,-0.1 2,-0.1 0.009 85.7 -75.3 -64.8 177.0 -7.0 5.1 84.9 20 20 H P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.414 43.3-112.3 -78.4 158.6 -6.1 5.6 81.2 21 21 H R E -C 12 0A 59 -9,-2.8 -9,-2.0 -3,-0.1 2,-0.4 -0.761 37.8-168.2 -88.2 128.4 -6.6 3.0 78.5 22 22 H Y E +C 11 0A 4 -2,-0.5 16,-3.2 -11,-0.2 2,-0.3 -0.974 11.2 168.1-128.4 136.7 -3.3 1.7 77.1 23 23 H M E -CD 10 37A 7 -13,-2.2 -13,-2.2 -2,-0.4 2,-0.4 -0.993 17.3-169.6-144.9 151.5 -2.5 -0.5 74.1 24 24 H E E - D 0 36A 0 12,-2.1 12,-2.7 -2,-0.3 2,-0.4 -0.977 12.7-175.0-134.8 139.0 0.4 -1.6 72.0 25 25 H V E - D 0 35A 5 -17,-0.5 -17,-2.7 -2,-0.4 2,-0.3 -0.956 10.4-150.4-143.1 121.5 -0.2 -3.4 68.7 26 26 H G E -BD 7 34A 0 8,-1.8 7,-2.4 -2,-0.4 8,-1.0 -0.684 9.1-168.9 -97.0 147.5 2.5 -4.9 66.5 27 27 H Y E -BD 6 32A 20 -21,-2.4 -21,-2.0 -2,-0.3 2,-0.6 -0.998 11.2-160.3-133.1 133.5 2.5 -5.3 62.8 28 28 H V E > S-BD 5 31A 0 3,-2.5 3,-1.1 -2,-0.4 -23,-0.2 -0.967 88.3 -21.1-113.1 114.6 4.8 -7.2 60.6 29 29 H D T 3 S- 0 0 41 -25,-3.6 -1,-0.2 -2,-0.6 -24,-0.1 0.887 132.1 -46.8 53.8 41.6 4.5 -5.9 57.1 30 30 H D T 3 S+ 0 0 124 -26,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.609 114.6 115.9 77.5 14.9 1.1 -4.4 57.9 31 31 H T E < -D 28 0A 33 -3,-1.1 -3,-2.5 18,-0.0 -1,-0.2 -0.968 69.2-121.3-117.9 126.3 -0.3 -7.5 59.6 32 32 H E E +D 27 0A 43 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.460 41.4 160.1 -65.9 129.0 -1.2 -7.5 63.3 33 33 H F E + 0 0 0 -7,-2.4 15,-2.6 1,-0.4 16,-0.6 0.532 60.4 19.3-126.4 -12.2 0.9 -10.1 65.1 34 34 H V E -DE 26 47A 0 -8,-1.0 -8,-1.8 13,-0.3 -1,-0.4 -0.977 58.2-175.5-152.7 159.4 0.8 -9.1 68.7 35 35 H R E -DE 25 46A 6 11,-1.5 11,-2.3 -2,-0.3 2,-0.5 -0.928 12.1-165.9-163.4 135.2 -1.3 -6.9 71.0 36 36 H F E -DE 24 45A 1 -12,-2.7 -12,-2.1 -2,-0.3 2,-0.5 -0.989 13.1-178.4-123.8 118.5 -1.3 -5.7 74.6 37 37 H D E -D 23 0A 23 7,-0.5 -14,-0.2 -2,-0.5 7,-0.2 -0.977 22.3-149.7-120.4 120.9 -4.5 -4.2 75.9 38 38 H S S S+ 0 0 21 -16,-3.2 4,-0.1 -2,-0.5 -15,-0.1 0.491 90.6 58.4 -68.0 -1.2 -4.6 -2.8 79.4 39 39 H D S S+ 0 0 71 -17,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.905 77.2 82.5 -96.5 -52.0 -8.3 -3.6 79.7 40 40 H A S S- 0 0 66 1,-0.1 2,-0.1 -3,-0.1 -3,-0.1 -0.277 98.3 -93.9 -51.1 143.5 -8.9 -7.3 79.1 41 41 H E S S+ 0 0 186 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 -0.384 112.2 30.0 -67.7 145.0 -8.2 -9.0 82.4 42 42 H N S S- 0 0 102 1,-0.2 -1,-0.2 -4,-0.1 2,-0.2 0.945 92.2-142.7 71.9 52.5 -4.7 -10.4 82.8 43 43 H P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.321 42.3 149.4 -52.0 113.7 -3.4 -7.7 80.6 44 44 H R - 0 0 78 -7,-0.2 2,-0.8 -2,-0.2 -7,-0.5 -0.877 56.4 -89.4-140.3 172.1 -0.7 -9.5 78.7 45 45 H Y E -E 36 0A 2 15,-0.5 -9,-0.2 -2,-0.3 19,-0.1 -0.799 49.1-168.8 -88.3 113.4 1.1 -9.7 75.4 46 46 H E E -E 35 0A 97 -11,-2.3 -11,-1.5 -2,-0.8 2,-0.1 -0.806 22.2-120.0-106.3 144.0 -1.0 -12.0 73.2 47 47 H P E -E 34 0A 43 0, 0.0 -13,-0.3 0, 0.0 3,-0.1 -0.518 19.4-168.2 -76.9 153.3 0.1 -13.4 69.9 48 48 H R S S+ 0 0 102 -15,-2.6 2,-0.4 1,-0.2 -14,-0.2 0.261 70.7 56.5-122.9 7.3 -2.3 -12.5 67.1 49 49 H A S > S- 0 0 16 -16,-0.6 3,-4.3 1,-0.1 4,-0.4 -0.957 81.2-128.8-145.7 121.1 -1.0 -14.9 64.5 50 50 H R G > S+ 0 0 213 -2,-0.4 3,-1.4 1,-0.3 4,-0.1 0.744 107.8 64.8 -37.0 -33.2 -0.7 -18.6 64.9 51 51 H W G > S+ 0 0 12 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.611 90.9 64.3 -73.2 -8.0 3.0 -18.3 63.8 52 52 H M G X S+ 0 0 0 -3,-4.3 3,-1.3 1,-0.2 -1,-0.3 0.552 77.6 84.5 -89.6 -6.7 3.8 -16.3 66.9 53 53 H E G < S+ 0 0 117 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.609 70.8 78.9 -70.9 -9.2 3.0 -19.2 69.2 54 54 H Q G < S+ 0 0 113 -3,-0.6 2,-0.5 -4,-0.1 -1,-0.3 0.346 70.5 108.6 -79.4 6.4 6.6 -20.5 68.7 55 55 H E S < S- 0 0 12 -3,-1.3 5,-0.1 1,-0.1 -3,-0.0 -0.753 78.2-111.4 -88.6 131.2 7.8 -17.9 71.1 56 56 H G >> - 0 0 38 -2,-0.5 3,-1.1 1,-0.1 4,-0.9 -0.016 27.9-106.9 -52.3 161.2 8.9 -19.3 74.5 57 57 H P H 3> S+ 0 0 103 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.720 121.2 64.2 -64.4 -17.3 6.8 -18.5 77.6 58 58 H E H 3> S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.808 90.8 62.1 -75.2 -31.9 9.7 -16.1 78.5 59 59 H Y H <> S+ 0 0 14 -3,-1.1 4,-2.5 1,-0.2 5,-0.2 0.953 107.6 43.6 -59.2 -49.0 9.0 -13.9 75.4 60 60 H W H X S+ 0 0 27 -4,-0.9 4,-1.5 2,-0.2 -15,-0.5 0.742 110.3 53.3 -70.8 -26.6 5.5 -13.0 76.7 61 61 H E H X S+ 0 0 94 -4,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.958 113.9 44.0 -69.8 -51.1 6.5 -12.4 80.3 62 62 H R H X S+ 0 0 38 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.939 113.7 48.2 -58.9 -51.1 9.2 -10.0 79.3 63 63 H E H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.868 113.4 49.6 -59.4 -35.3 7.0 -8.2 76.7 64 64 H T H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.909 109.9 50.1 -69.2 -41.9 4.2 -7.9 79.2 65 65 H Q H X S+ 0 0 94 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.918 113.0 46.9 -60.8 -44.7 6.6 -6.5 81.9 66 66 H K H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 3,-0.4 0.870 110.0 53.1 -64.0 -41.3 8.0 -4.0 79.4 67 67 H A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.902 105.0 54.3 -62.5 -43.3 4.5 -2.9 78.3 68 68 H K H X S+ 0 0 87 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.740 110.0 48.6 -63.2 -24.1 3.4 -2.3 81.9 69 69 H G H >X S+ 0 0 3 -4,-0.8 4,-2.1 -3,-0.4 3,-0.5 0.933 109.2 50.1 -79.0 -49.8 6.4 0.0 82.2 70 70 H N H 3X S+ 0 0 5 -4,-2.6 4,-1.8 1,-0.3 -2,-0.2 0.886 107.7 58.5 -53.4 -40.2 5.6 1.9 79.0 71 71 H E H 3X S+ 0 0 25 -4,-2.7 4,-1.4 1,-0.2 -1,-0.3 0.888 104.0 47.0 -58.8 -43.3 2.1 2.2 80.4 72 72 H Q H X S+ 0 0 36 -4,-2.9 4,-1.6 1,-0.2 3,-1.4 0.947 107.2 46.4 -53.1 -54.8 2.4 16.4 81.2 81 81 H L H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 5,-0.4 0.848 101.5 64.6 -60.0 -35.0 0.6 17.5 78.0 82 82 H L H 3<>S+ 0 0 30 -4,-1.8 5,-2.2 -5,-0.2 4,-0.4 0.841 108.1 48.1 -55.8 -26.6 -2.4 18.6 80.0 83 83 H G H <<5S+ 0 0 50 -3,-1.4 3,-0.5 -4,-0.9 -2,-0.3 0.957 108.0 47.8 -78.8 -52.6 0.2 21.0 81.3 84 84 H Y H <5S+ 0 0 61 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.878 121.4 36.9 -55.3 -44.8 1.8 22.3 78.1 85 85 H Y T <5S- 0 0 65 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.549 106.9-127.3 -86.9 -8.3 -1.6 23.0 76.4 86 86 H N T 5 + 0 0 148 -3,-0.5 2,-0.4 -5,-0.4 -3,-0.2 0.996 47.8 163.2 56.2 70.6 -3.1 24.1 79.7 87 87 H Q < - 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