==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 31-JUL-10 2XNA . COMPND 2 MOLECULE: T CELL RECEPTOR ALPHA CHAIN C REGION; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SALINE,K.E.J.RODSTROM,G.FISCHER,V.Y.OREKHOV,B.G.KARLSSON, . 655 3 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 209 31.9 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 61 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 4 5 12 5 4 4 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 1 2 4 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 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 2 A Q 0 0 119 0, 0.0 2,-0.4 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 120.6 17.1 33.8 -22.2 2 3 A L - 0 0 107 96,-0.1 2,-0.5 2,-0.0 24,-0.4 -0.960 360.0-165.8-136.3 140.2 15.7 33.0 -25.6 3 4 A L - 0 0 6 -2,-0.4 98,-0.4 96,-0.4 2,-0.4 -0.962 15.1-162.0-126.0 113.4 15.3 30.1 -27.9 4 5 A E E -A 23 0A 119 19,-2.8 19,-2.9 -2,-0.5 2,-0.4 -0.794 3.7-163.4 -98.7 135.6 14.3 30.8 -31.6 5 6 A Q E -A 22 0A 22 -2,-0.4 17,-0.2 17,-0.2 96,-0.1 -0.956 12.7-132.3-119.5 135.4 12.9 28.1 -33.9 6 7 A S E S+A 21 0A 60 15,-2.3 15,-3.0 -2,-0.4 2,-0.1 -0.980 77.1 27.5-139.1 151.8 12.6 28.2 -37.7 7 8 A P - 0 0 46 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.738 66.8-161.7 -73.9 156.8 10.7 27.6 -39.8 8 9 A Q S S+ 0 0 53 1,-0.2 96,-2.7 95,-0.2 2,-0.4 0.815 80.1 19.7 -72.7 -32.0 7.6 28.5 -37.7 9 10 A F E S-e 104 0B 161 94,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.996 70.6-178.2-141.3 134.3 5.3 26.6 -40.0 10 11 A L E -e 105 0B 38 94,-2.7 96,-2.5 -2,-0.4 2,-0.5 -0.982 7.0-176.1-141.3 124.3 6.2 24.0 -42.6 11 12 A S E +e 106 0B 70 -2,-0.4 2,-0.3 94,-0.2 96,-0.2 -0.992 21.1 160.9-116.5 127.3 4.0 22.2 -45.0 12 13 A I E -e 107 0B 26 94,-2.4 96,-2.8 -2,-0.5 2,-0.2 -0.967 37.6-100.0-145.5 162.2 5.6 19.5 -47.2 13 14 A Q E > -e 108 0B 105 -2,-0.3 3,-2.0 94,-0.2 65,-0.2 -0.551 47.7 -93.1 -81.0 142.0 4.8 16.5 -49.3 14 15 A E T 3 S+ 0 0 44 94,-2.5 65,-0.2 1,-0.2 -1,-0.1 -0.234 112.4 31.5 -44.4 130.9 5.2 12.9 -48.1 15 16 A G T 3 S+ 0 0 43 63,-2.6 62,-0.4 1,-0.4 -1,-0.2 0.157 91.9 115.5 102.5 -18.3 8.6 11.7 -49.1 16 17 A E < - 0 0 105 -3,-2.0 62,-3.0 61,-0.2 -1,-0.4 -0.388 61.5-123.9 -81.3 161.4 10.5 14.9 -48.9 17 18 A N - 0 0 90 60,-0.2 2,-0.3 59,-0.2 59,-0.2 -0.711 29.8-178.9 -97.6 156.1 13.3 15.8 -46.4 18 19 A L E - B 0 75A 12 57,-2.2 57,-2.1 -2,-0.3 2,-0.4 -0.959 16.7-150.3-150.4 163.5 13.2 18.7 -44.1 19 20 A T E - B 0 74A 77 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.990 6.9-165.0-140.0 126.8 15.3 20.4 -41.5 20 21 A V E - B 0 73A 3 53,-3.3 53,-2.3 -2,-0.4 2,-0.3 -0.870 13.7-152.7-112.4 153.8 14.1 22.4 -38.5 21 22 A Y E -AB 6 72A 81 -15,-3.0 -15,-2.3 -2,-0.3 2,-0.4 -0.934 13.9-169.5-135.6 141.4 16.4 24.7 -36.6 22 23 A a E +AB 5 71A 0 49,-2.5 49,-2.3 -2,-0.3 2,-0.3 -0.996 19.6 172.5-133.6 122.8 16.7 26.0 -33.0 23 24 A N E +AB 4 70A 57 -19,-2.9 -19,-2.8 -2,-0.4 2,-0.3 -0.970 11.0 170.7-141.5 158.2 19.1 28.7 -32.0 24 25 A S - 0 0 15 45,-1.9 -21,-0.1 -2,-0.3 4,-0.1 -0.860 40.0-130.6-145.0 171.0 20.2 31.0 -29.2 25 26 A S S S+ 0 0 112 -23,-0.4 2,-0.2 -2,-0.3 -22,-0.1 0.470 91.3 86.1-100.3 -12.8 22.8 33.5 -28.1 26 27 A S S S- 0 0 28 -24,-0.4 2,-0.3 43,-0.2 -2,-0.2 -0.590 81.6-120.9 -85.2 149.0 22.9 31.5 -24.9 27 28 A V - 0 0 34 -2,-0.2 2,-0.4 63,-0.0 42,-0.2 -0.653 26.4-156.7 -87.2 141.9 25.0 28.4 -24.2 28 29 A F - 0 0 0 40,-1.6 3,-0.1 -2,-0.3 64,-0.1 -0.982 22.0-157.2-125.6 136.6 23.1 25.2 -23.1 29 30 A S S S+ 0 0 21 -2,-0.4 2,-0.3 62,-0.3 -1,-0.1 0.789 88.5 7.0 -78.5 -26.6 24.4 22.2 -21.2 30 31 A S - 0 0 14 61,-0.1 61,-1.8 268,-0.1 2,-0.3 -0.977 62.6-157.7-148.3 160.9 21.5 20.1 -22.8 31 32 A L E -FG 48 90B 0 17,-2.3 17,-3.0 -2,-0.3 2,-0.3 -0.990 9.9-162.8-140.9 133.8 18.8 20.5 -25.4 32 33 A Q E -FG 47 89B 1 57,-3.3 57,-2.6 -2,-0.3 2,-0.4 -0.878 4.9-154.6-112.7 146.9 15.6 18.5 -25.8 33 34 A W E -FG 46 88B 0 13,-1.8 12,-3.2 -2,-0.3 13,-1.3 -0.965 15.0-175.2-117.1 142.8 13.2 18.0 -28.7 34 35 A Y E -FG 44 87B 0 53,-2.5 53,-2.2 -2,-0.4 2,-0.4 -0.934 18.2-146.8-129.3 155.2 9.5 17.2 -28.3 35 36 A R E -FG 43 86B 77 8,-2.1 8,-2.4 -2,-0.3 2,-0.4 -0.991 20.9-169.3-120.0 123.1 6.6 16.4 -30.7 36 37 A Q E - G 0 85B 6 49,-2.7 49,-2.5 -2,-0.4 5,-0.1 -0.951 13.3-153.3-119.4 133.4 3.1 17.5 -29.6 37 38 A E > - 0 0 119 -2,-0.4 3,-1.7 4,-0.3 47,-0.1 -0.757 48.1 -82.6 -91.6 145.1 -0.3 16.6 -31.0 38 39 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.159 115.0 7.5 -48.8 133.2 -3.1 19.2 -30.5 39 40 A G T 3 S+ 0 0 34 1,-0.2 2,-0.3 -3,-0.1 269,-0.1 0.727 114.7 98.3 67.0 21.0 -4.7 18.9 -27.0 40 41 A E S < S- 0 0 90 -3,-1.7 -1,-0.2 267,-0.0 266,-0.1 -0.856 81.6 -85.6-133.0 171.1 -2.1 16.3 -25.9 41 42 A G - 0 0 13 -2,-0.3 -4,-0.3 262,-0.1 -6,-0.1 -0.603 48.5-105.6 -78.6 134.4 1.1 16.2 -23.8 42 43 A P - 0 0 6 0, 0.0 261,-0.5 0, 0.0 2,-0.5 -0.297 35.4-136.2 -51.6 139.5 4.4 16.9 -25.7 43 44 A V E -F 35 0B 83 -8,-2.4 -8,-2.1 259,-0.1 2,-0.3 -0.919 14.8-120.5-107.7 126.7 6.3 13.7 -26.2 44 45 A L E +F 34 0B 38 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.479 32.7 174.0 -67.4 126.4 10.1 13.7 -25.6 45 46 A L E - 0 0 28 -12,-3.2 2,-0.3 1,-0.4 -11,-0.2 0.853 58.5 -23.6 -94.9 -46.5 12.0 12.7 -28.7 46 47 A V E -F 33 0B 8 -13,-1.3 -13,-1.8 2,-0.0 2,-0.4 -0.976 42.2-143.4-159.9 157.2 15.7 13.2 -27.7 47 48 A T E -F 32 0B 19 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.993 15.8-163.5-125.1 129.7 18.1 14.9 -25.4 48 49 A V E +F 31 0B 0 -17,-3.0 -17,-2.3 -2,-0.4 3,-0.1 -0.926 13.8 170.6-111.9 138.4 21.5 16.0 -26.7 49 50 A V + 0 0 26 -2,-0.4 2,-0.4 -19,-0.2 -1,-0.1 0.419 52.5 66.7-129.9 -6.4 24.1 16.8 -24.0 50 51 A T S > S- 0 0 7 470,-0.0 3,-2.6 412,-0.0 14,-0.3 -0.990 84.6-107.8-128.3 129.2 27.5 17.3 -25.8 51 52 A G T 3 S+ 0 0 0 -2,-0.4 471,-0.8 1,-0.3 470,-0.6 -0.245 109.4 17.6 -50.2 132.4 28.5 20.0 -28.2 52 53 A G T 3 S+ 0 0 10 12,-1.0 -1,-0.3 13,-0.7 14,-0.2 0.459 90.2 153.1 75.8 1.3 28.7 18.5 -31.7 53 54 A E < - 0 0 18 -3,-2.6 11,-2.5 12,-0.2 2,-0.4 -0.338 25.9-165.4 -59.0 140.4 26.7 15.4 -30.7 54 55 A V E -C 63 0A 22 9,-0.2 2,-0.4 2,-0.0 9,-0.2 -0.997 6.4-176.1-126.5 129.4 24.7 13.7 -33.5 55 56 A K E -C 62 0A 59 7,-2.8 7,-3.2 -2,-0.4 2,-0.5 -0.992 8.5-159.4-128.1 136.4 22.0 11.3 -32.6 56 57 A K E +C 61 0A 126 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.971 12.4 175.7-119.6 121.1 19.9 9.2 -35.1 57 58 A L E > -C 60 0A 77 3,-2.6 3,-2.2 -2,-0.5 2,-0.1 -0.916 64.5 -68.9-123.4 100.6 16.6 7.7 -34.2 58 59 A K T 3 S- 0 0 208 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 -0.314 120.0 -5.0 51.5-121.1 15.1 6.0 -37.3 59 60 A R T 3 S+ 0 0 73 -3,-0.1 17,-1.7 -2,-0.1 2,-0.4 0.652 121.7 87.1 -74.0 -14.3 14.2 8.8 -39.9 60 61 A L E < -CD 57 75A 18 -3,-2.2 -3,-2.6 15,-0.2 2,-0.4 -0.721 54.8-173.0 -92.2 132.7 15.1 11.6 -37.3 61 62 A T E -CD 56 74A 35 13,-2.6 13,-2.7 -2,-0.4 2,-0.4 -0.992 5.8-166.8-124.9 121.9 18.6 13.0 -37.0 62 63 A F E -CD 55 73A 0 -7,-3.2 -7,-2.8 -2,-0.4 2,-0.4 -0.883 2.8-170.3-109.3 141.2 19.4 15.5 -34.2 63 64 A Q E -CD 54 72A 88 9,-2.4 9,-2.0 -2,-0.4 2,-0.5 -0.995 13.7-151.1-136.2 130.0 22.5 17.6 -34.0 64 65 A F E - D 0 71A 0 -11,-2.5 -12,-1.0 -2,-0.4 7,-0.3 -0.847 35.5-110.4 -92.6 128.9 23.8 19.8 -31.1 65 66 A G > - 0 0 7 5,-3.5 3,-1.8 -2,-0.5 -13,-0.7 -0.181 21.0-117.4 -56.8 150.0 25.9 22.7 -32.3 66 67 A D T 3 S+ 0 0 72 -15,-0.3 -15,-0.1 1,-0.3 -1,-0.1 0.787 117.2 45.0 -59.4 -32.4 29.7 22.7 -31.7 67 68 A A T 3 S- 0 0 39 560,-0.1 -1,-0.3 -16,-0.0 -39,-0.1 0.224 111.9-118.3 -97.7 11.8 29.3 25.8 -29.5 68 69 A R S < S+ 0 0 0 -3,-1.8 -40,-1.6 2,-0.1 -2,-0.1 0.695 87.8 108.8 64.3 19.2 26.3 24.6 -27.7 69 70 A K S S+ 0 0 90 -42,-0.2 -45,-1.9 1,-0.1 2,-0.3 0.583 77.4 17.5-105.5 -10.1 24.2 27.5 -29.0 70 71 A D E -B 23 0A 51 -47,-0.2 -5,-3.5 -42,-0.1 2,-0.3 -0.931 54.2-164.6-153.4 172.0 22.0 25.7 -31.5 71 72 A S E -BD 22 64A 0 -49,-2.3 -49,-2.5 -2,-0.3 2,-0.3 -0.974 8.6-150.7-156.2 153.5 20.5 22.3 -32.6 72 73 A S E -BD 21 63A 28 -9,-2.0 -9,-2.4 -2,-0.3 2,-0.5 -0.969 5.6-153.3-133.3 153.7 18.8 20.9 -35.6 73 74 A L E -BD 20 62A 1 -53,-2.3 -53,-3.3 -2,-0.3 2,-0.5 -0.990 15.8-167.3-119.9 127.3 16.3 18.2 -36.3 74 75 A H E -BD 19 61A 62 -13,-2.7 -13,-2.6 -2,-0.5 2,-0.5 -0.968 2.1-164.0-120.9 125.8 16.4 16.6 -39.7 75 76 A I E -BD 18 60A 1 -57,-2.1 -57,-2.2 -2,-0.5 2,-0.4 -0.955 5.1-161.2-111.1 130.5 13.6 14.4 -41.0 76 77 A T S S+ 0 0 56 -17,-1.7 -59,-0.2 -2,-0.5 -60,-0.1 -0.862 71.3 8.8-108.3 149.3 14.2 12.2 -44.0 77 78 A A S S- 0 0 35 -62,-0.4 -1,-0.2 -2,-0.4 -60,-0.2 0.942 90.6-138.0 51.6 55.4 11.4 10.6 -46.1 78 79 A A - 0 0 0 -62,-3.0 -63,-2.6 -3,-0.3 -62,-0.2 -0.093 19.1-159.0 -48.4 138.1 8.6 12.6 -44.3 79 80 A Q > - 0 0 79 -65,-0.2 3,-2.6 -64,-0.1 4,-0.3 -0.892 29.6-114.6-117.7 150.1 5.4 10.7 -43.4 80 81 A P G > S+ 0 0 30 0, 0.0 3,-1.8 0, 0.0 27,-0.4 0.841 115.6 63.4 -49.4 -37.8 1.9 12.0 -42.7 81 82 A G G 3 S+ 0 0 63 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.592 87.4 71.6 -65.1 -10.9 2.3 10.7 -39.1 82 83 A D G < S+ 0 0 5 -3,-2.6 -1,-0.3 2,-0.0 23,-0.2 0.609 70.8 120.3 -76.1 -13.8 5.2 13.2 -38.6 83 84 A T < + 0 0 61 -3,-1.8 2,-0.3 -4,-0.3 23,-0.2 -0.276 43.6 85.9 -52.7 130.3 2.6 16.0 -38.6 84 85 A G E S- H 0 105B 2 21,-2.3 21,-2.8 -47,-0.1 2,-0.6 -0.942 81.4 -58.1 161.5 178.7 2.7 17.9 -35.3 85 86 A L E -GH 36 104B 24 -49,-2.5 -49,-2.7 -2,-0.3 2,-0.7 -0.839 43.4-156.5 -92.8 116.1 4.3 20.7 -33.3 86 87 A Y E -GH 35 103B 2 17,-3.2 17,-1.9 -2,-0.6 2,-0.4 -0.836 14.1-172.7 -96.5 113.2 8.1 20.2 -32.9 87 88 A L E -G 34 0B 0 -53,-2.2 -53,-2.5 -2,-0.7 2,-0.3 -0.891 11.3-157.5-110.6 134.0 9.4 22.1 -29.8 88 89 A a E -G 33 0B 0 -2,-0.4 12,-3.0 -55,-0.2 2,-0.3 -0.850 13.9-172.8-104.0 148.8 13.0 22.5 -28.8 89 90 A A E -GI 32 99B 0 -57,-2.6 -57,-3.3 -2,-0.3 2,-0.4 -1.000 7.2-154.5-144.2 139.0 13.9 23.2 -25.2 90 91 A G E -GI 31 98B 0 8,-2.6 8,-2.7 -2,-0.3 -59,-0.2 -0.916 32.3 -97.7-119.9 145.6 17.1 24.1 -23.4 91 92 A A E - 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