==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 24-SEP-11 3TYF . COMPND 2 MOLECULE: INKT CELL RECEPTOR ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.LOPEZ-SAGASETA,E.J.ADAMS . 878 15 10 4 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 326 37.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 2 0.2 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 . 80 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 3 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 RESIDUES PER ALPHA HELIX . 4 0 0 0 4 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 9 13 7 8 9 3 4 1 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 4 2 3 1 2 0 0 0 1 1 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 N 0 0 140 0, 0.0 103,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 145.9 -10.1 -33.6 -2.6 2 2 A Q + 0 0 76 1,-0.1 23,-1.7 101,-0.1 24,-0.9 0.427 360.0 61.3 -95.8 -1.2 -13.9 -34.3 -2.5 3 3 A V E -A 24 0A 4 21,-0.2 102,-0.5 100,-0.2 2,-0.4 -0.979 67.3-173.8-129.7 123.2 -14.6 -31.3 -0.2 4 4 A E E -A 23 0A 114 19,-3.1 19,-2.6 -2,-0.4 2,-0.4 -0.919 4.5-161.6-120.7 135.7 -13.8 -27.8 -1.4 5 5 A Q E -A 22 0A 10 -2,-0.4 17,-0.2 17,-0.2 100,-0.1 -0.915 14.2-123.8-121.7 146.2 -14.0 -24.5 0.6 6 6 A S E S+A 21 0A 16 15,-2.1 15,-3.8 -2,-0.4 2,-0.2 -1.000 78.2 20.4-139.5 139.8 -14.2 -20.9 -0.5 7 7 A P - 0 0 10 0, 0.0 451,-0.2 0, 0.0 3,-0.1 0.660 67.7-140.6 -78.5-173.1 -12.6 -18.5 0.1 8 8 A Q S S- 0 0 28 449,-2.6 100,-2.4 1,-0.3 2,-0.3 0.891 81.0 -23.6 -73.7 -43.5 -9.2 -19.7 1.3 9 9 A S E -eF 108 457B 32 448,-1.0 448,-2.4 98,-0.2 -1,-0.3 -0.974 62.4-172.6-158.7 161.4 -9.1 -16.9 3.9 10 10 A L E -eF 109 456B 9 98,-2.5 100,-2.0 -2,-0.3 2,-0.5 -0.988 15.0-141.4-155.3 157.8 -10.6 -13.5 4.6 11 11 A I E +eF 110 455B 37 444,-2.7 443,-3.0 -2,-0.3 444,-1.2 -0.982 24.4 171.4-125.5 123.3 -10.3 -10.6 7.0 12 12 A I E -e 111 0B 0 98,-2.1 100,-2.4 -2,-0.5 2,-0.2 -0.904 31.9-112.7-127.6 156.3 -13.3 -8.6 8.3 13 13 A L E > -e 112 0B 6 -2,-0.3 3,-1.4 98,-0.2 66,-0.2 -0.564 48.3 -88.1 -81.3 153.0 -13.8 -5.9 10.9 14 14 A E T 3 S+ 0 0 49 98,-2.6 66,-0.2 1,-0.2 -1,-0.1 -0.305 111.4 34.5 -61.3 141.2 -16.0 -6.7 14.0 15 15 A G T 3 S+ 0 0 47 64,-2.2 63,-0.3 1,-0.4 -1,-0.2 0.306 96.0 106.8 99.1 -7.8 -19.7 -6.1 13.5 16 16 A K < - 0 0 20 -3,-1.4 63,-2.2 62,-0.1 -1,-0.4 -0.586 64.1-117.8-105.5 171.2 -19.8 -7.1 9.9 17 17 A N - 0 0 70 -2,-0.2 2,-0.3 61,-0.2 60,-0.2 -0.698 25.9-179.5-110.3 151.7 -21.2 -10.2 8.1 18 18 A C E - B 0 76A 9 58,-1.6 58,-2.4 -2,-0.3 2,-0.4 -0.987 15.5-145.1-146.4 158.6 -19.5 -12.8 5.9 19 19 A T E - B 0 75A 68 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.986 9.8-156.5-127.2 132.9 -20.4 -15.9 4.0 20 20 A L E - B 0 74A 0 54,-2.9 54,-2.0 -2,-0.4 2,-0.3 -0.863 12.8-141.5-110.4 144.5 -18.4 -19.1 3.6 21 21 A Q E -AB 6 73A 54 -15,-3.8 -15,-2.1 -2,-0.4 2,-0.4 -0.787 15.1-175.7-110.5 146.4 -18.7 -21.5 0.7 22 22 A a E +AB 5 72A 0 50,-1.9 50,-2.7 -2,-0.3 2,-0.4 -0.989 2.4 178.4-141.1 131.7 -18.6 -25.3 0.5 23 23 A N E -AB 4 71A 55 -19,-2.6 -19,-3.1 -2,-0.4 2,-0.4 -0.997 8.7-171.7-132.9 138.0 -18.8 -27.6 -2.6 24 24 A Y E -A 3 0A 10 46,-1.6 -21,-0.2 -2,-0.4 -22,-0.1 -0.973 30.2-169.2-136.9 142.6 -18.5 -31.4 -2.6 25 25 A T + 0 0 93 -23,-1.7 -22,-0.1 -2,-0.4 -1,-0.1 0.334 49.1 137.2 -98.9 1.8 -18.2 -34.3 -5.1 26 26 A V - 0 0 0 -24,-0.9 3,-0.1 44,-0.1 -2,-0.1 -0.275 45.0-135.3 -58.5 124.9 -18.8 -36.9 -2.3 27 27 A S S S+ 0 0 87 1,-0.3 2,-0.1 2,-0.1 66,-0.1 -1.000 78.9 26.0-139.7 140.8 -21.2 -39.7 -3.4 28 28 A P S S- 0 0 67 0, 0.0 66,-1.2 0, 0.0 -1,-0.3 0.543 90.7-142.3 -76.7 146.8 -23.5 -41.0 -2.1 29 29 A F E +G 93 0B 25 64,-0.2 64,-0.2 1,-0.1 3,-0.1 -0.355 31.8 161.0 -74.2 151.3 -24.3 -38.0 0.1 30 30 A S E - 0 0 31 62,-1.8 21,-0.6 1,-0.3 2,-0.3 0.529 57.8 -19.7-130.3 -64.6 -25.5 -38.3 3.6 31 31 A N E -GH 92 50B 15 61,-0.8 61,-3.1 19,-0.2 2,-0.4 -0.970 47.0-138.0-151.4 165.1 -25.1 -35.1 5.7 32 32 A L E +GH 91 49B 0 17,-2.9 17,-2.2 -2,-0.3 2,-0.3 -0.991 21.2 176.6-131.5 131.8 -23.2 -31.8 5.9 33 33 A R E -GH 90 48B 0 57,-2.7 57,-3.4 -2,-0.4 2,-0.5 -0.970 20.2-142.3-135.9 152.7 -21.6 -30.1 9.0 34 34 A W E -GH 89 47B 0 13,-1.4 12,-2.2 -2,-0.3 13,-0.8 -0.956 16.9-162.8-114.5 127.7 -19.6 -27.0 9.8 35 35 A Y E -GH 88 45B 0 53,-3.3 53,-2.1 -2,-0.5 2,-0.5 -0.821 9.1-151.2-105.9 147.3 -16.8 -27.0 12.4 36 36 A K E -GH 87 44B 30 8,-2.1 8,-1.2 -2,-0.3 2,-0.6 -0.965 15.1-174.4-114.7 114.4 -15.2 -24.1 14.1 37 37 A Q E -G 86 0B 17 49,-2.6 49,-2.2 -2,-0.5 3,-0.1 -0.915 11.4-152.0-112.6 109.7 -11.6 -24.7 15.2 38 38 A D > - 0 0 47 -2,-0.6 3,-1.5 4,-0.5 47,-0.1 -0.363 46.6 -72.8 -68.4 157.3 -9.9 -22.0 17.2 39 39 A T T 3 S- 0 0 100 45,-0.3 -1,-0.2 1,-0.3 3,-0.1 -0.304 116.5 -3.1 -58.4 125.7 -6.1 -21.8 16.8 40 40 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.244 116.3 98.9 80.1 -13.4 -4.4 -24.7 18.6 41 41 A R S < S- 0 0 165 -3,-1.5 -1,-0.3 1,-0.1 266,-0.1 -0.347 77.9 -87.0-100.9-179.6 -7.7 -26.1 19.9 42 42 A G - 0 0 12 1,-0.1 -4,-0.5 264,-0.1 -1,-0.1 -0.566 48.5 -90.9 -90.6 153.7 -10.1 -28.8 18.9 43 43 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 263,-0.4 -0.237 34.9-149.9 -60.7 144.3 -13.0 -28.6 16.4 44 44 A V E -H 36 0B 86 -8,-1.2 -8,-2.1 261,-0.1 2,-0.2 -0.980 17.3-121.8-121.6 123.8 -16.4 -27.6 17.7 45 45 A S E +H 35 0B 22 259,-0.6 -10,-0.2 -2,-0.5 3,-0.1 -0.406 34.6 169.8 -61.7 128.0 -19.6 -28.8 15.9 46 46 A L E - 0 0 20 -12,-2.2 2,-0.3 1,-0.4 -1,-0.2 0.825 59.4 -5.4-102.4 -62.1 -21.7 -25.9 14.8 47 47 A T E -H 34 0B 7 -13,-0.8 -13,-1.4 9,-0.1 2,-0.4 -0.988 51.5-157.1-139.8 146.5 -24.5 -27.3 12.6 48 48 A I E +H 33 0B 41 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.985 19.5 179.5-123.5 139.3 -25.5 -30.6 11.0 49 49 A M E -H 32 0B 0 -17,-2.2 -17,-2.9 -2,-0.4 2,-0.3 -0.969 13.2-164.7-140.4 151.9 -27.7 -30.9 8.0 50 50 A T E > -H 31 0B 40 -2,-0.3 3,-0.7 3,-0.3 -19,-0.2 -0.792 46.1 -92.7-127.3 170.0 -29.2 -33.5 5.7 51 51 A F T 3 S+ 0 0 122 -21,-0.6 16,-0.2 -2,-0.3 17,-0.1 0.782 123.8 57.7 -53.3 -28.6 -30.8 -33.4 2.2 52 52 A S T 3 S+ 0 0 91 1,-0.2 2,-0.6 2,-0.0 -1,-0.2 0.868 102.1 56.2 -73.5 -38.6 -34.2 -32.9 3.9 53 53 A E < - 0 0 67 -3,-0.7 -3,-0.3 1,-0.1 -1,-0.2 -0.870 59.0-175.8-101.2 116.3 -33.3 -29.8 5.8 54 54 A N + 0 0 106 -2,-0.6 11,-2.5 1,-0.1 2,-0.3 0.525 69.5 35.4 -85.4 -6.7 -32.0 -26.9 3.7 55 55 A T E +C 64 0A 66 9,-0.2 2,-0.3 2,-0.0 9,-0.2 -0.999 54.3 179.0-150.5 149.4 -31.2 -24.7 6.7 56 56 A K E -C 63 0A 82 7,-1.8 7,-2.6 -2,-0.3 2,-0.4 -0.990 13.1-151.8-146.2 148.5 -29.9 -24.7 10.3 57 57 A S E +C 62 0A 90 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.981 16.4 170.4-130.1 126.0 -29.3 -22.0 12.9 58 58 A N E > -C 61 0A 74 3,-2.2 3,-2.5 -2,-0.4 -2,-0.0 -0.945 66.2 -62.5-128.0 111.0 -26.8 -21.9 15.8 59 59 A G T 3 S- 0 0 71 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.267 119.0 -12.0 53.0-127.0 -26.6 -18.5 17.4 60 60 A R T 3 S+ 0 0 73 -3,-0.1 17,-1.7 17,-0.1 2,-0.4 0.398 121.5 92.4 -85.9 1.7 -25.3 -15.9 15.0 61 61 A Y E < -CD 58 76A 18 -3,-2.5 -3,-2.2 15,-0.2 2,-0.4 -0.817 53.6-175.5 -97.1 136.8 -24.3 -18.7 12.5 62 62 A T E -CD 57 75A 43 13,-1.7 13,-2.8 -2,-0.4 2,-0.3 -0.985 6.8-160.5-134.3 124.7 -26.7 -19.8 9.8 63 63 A A E -CD 56 74A 0 -7,-2.6 -7,-1.8 -2,-0.4 2,-0.4 -0.767 2.2-162.9-107.1 148.5 -26.0 -22.7 7.5 64 64 A T E -CD 55 73A 70 9,-2.3 9,-1.5 -2,-0.3 2,-0.4 -0.970 0.5-163.0-129.8 144.5 -27.6 -23.5 4.1 65 65 A L E - D 0 72A 9 -11,-2.5 2,-0.7 -2,-0.4 7,-0.2 -0.958 10.6-178.3-133.1 118.2 -27.6 -26.8 2.1 66 66 A D E > - D 0 71A 62 5,-3.1 5,-2.5 -2,-0.4 4,-0.5 -0.932 4.9-178.7-108.8 107.0 -28.4 -27.2 -1.6 67 67 A A T 5S+ 0 0 35 -2,-0.7 -1,-0.1 -16,-0.2 -38,-0.1 0.760 77.4 61.4 -77.9 -25.3 -28.2 -30.9 -2.2 68 68 A D T 5S+ 0 0 150 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.960 116.7 28.2 -65.0 -53.5 -29.0 -30.5 -5.9 69 69 A T T 5S- 0 0 80 2,-0.1 -1,-0.2 -46,-0.0 -2,-0.2 0.449 108.7-124.7 -87.6 -1.3 -26.0 -28.4 -6.7 70 70 A K T 5 + 0 0 60 -4,-0.5 -46,-1.6 1,-0.2 2,-0.3 0.961 65.0 131.0 56.5 56.9 -24.0 -30.0 -3.9 71 71 A Q E < -BD 23 66A 69 -5,-2.5 -5,-3.1 -48,-0.2 2,-0.3 -0.993 36.0-170.7-142.9 145.2 -23.2 -26.7 -2.2 72 72 A S E -BD 22 65A 1 -50,-2.7 -50,-1.9 -2,-0.3 2,-0.4 -0.986 5.0-159.1-137.6 148.4 -23.4 -25.3 1.4 73 73 A S E -BD 21 64A 18 -9,-1.5 -9,-2.3 -2,-0.3 2,-0.5 -0.980 6.1-157.0-130.2 141.5 -22.9 -21.9 2.9 74 74 A L E -BD 20 63A 0 -54,-2.0 -54,-2.9 -2,-0.4 2,-0.6 -0.973 13.6-162.6-114.5 123.8 -22.2 -20.6 6.4 75 75 A H E -BD 19 62A 60 -13,-2.8 -13,-1.7 -2,-0.5 2,-0.5 -0.922 2.6-158.5-112.7 118.1 -23.2 -17.1 7.2 76 76 A I E -BD 18 61A 0 -58,-2.4 -58,-1.6 -2,-0.6 2,-0.4 -0.809 9.9-156.1 -93.0 131.3 -21.8 -15.2 10.2 77 77 A T - 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