==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 14-MAY-07 2PXY . COMPND 2 MOLECULE: T CELL RECEPTOR ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR D.FENG,C.J.BOND,L.K.ELY,K.C.GARCIA . 608 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 227 37.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 . 57 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 1 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 7 9 6 3 6 3 2 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 2 4 2 0 0 0 1 0 0 0 1 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 S 0 0 162 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 160.2 -37.0 14.7 -31.6 2 0 A A - 0 0 78 1,-0.1 25,-0.1 26,-0.1 0, 0.0 -0.439 360.0 -80.4 -77.0 153.5 -35.8 12.3 -29.0 3 1 A D + 0 0 32 -2,-0.1 2,-0.3 23,-0.0 25,-0.2 -0.211 59.8 176.4 -52.8 140.8 -32.2 11.1 -29.1 4 2 A S E -A 27 0A 50 23,-2.3 23,-2.6 -3,-0.1 2,-0.4 -0.967 26.1-140.0-147.3 162.5 -31.6 8.4 -31.7 5 3 A V E -A 26 0A 14 99,-0.4 2,-0.5 -2,-0.3 101,-0.3 -0.989 13.3-160.2-126.0 133.9 -28.9 6.2 -33.2 6 4 A T E +A 25 0A 95 19,-3.3 19,-2.9 -2,-0.4 2,-0.3 -0.965 15.9 172.2-119.3 120.4 -28.8 5.3 -36.8 7 5 A Q E -A 24 0A 15 -2,-0.5 17,-0.2 17,-0.2 99,-0.1 -0.929 44.3 -60.6-128.9 154.3 -26.7 2.3 -38.0 8 6 A T - 0 0 33 15,-1.1 -1,-0.1 -2,-0.3 4,-0.1 0.167 67.2 -93.0 -32.1 134.4 -26.3 0.4 -41.3 9 7 A G - 0 0 71 99,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.716 65.1 -62.9 -14.2-114.1 -29.4 -1.2 -42.7 10 8 A G S S+ 0 0 49 1,-0.3 99,-3.1 98,-0.1 2,-0.4 0.731 98.5 16.0-119.5 -70.8 -30.0 -4.8 -41.7 11 9 A Q E -d 109 0B 121 97,-0.2 2,-0.4 99,-0.1 -1,-0.3 -0.949 49.2-176.0-124.3 138.1 -27.7 -7.6 -42.7 12 10 A V E -d 110 0B 60 97,-2.5 99,-2.9 -2,-0.4 2,-0.5 -0.974 11.3-153.2-127.1 138.0 -24.1 -7.6 -44.1 13 11 A A E +d 111 0B 62 -2,-0.4 2,-0.3 97,-0.2 99,-0.2 -0.954 18.4 170.5-118.0 128.2 -22.1 -10.6 -45.2 14 12 A L E -d 112 0B 33 97,-2.5 99,-3.3 -2,-0.5 2,-0.3 -0.845 29.5-120.5-127.7 164.3 -18.3 -10.8 -45.1 15 13 A S E > -d 113 0B 65 -2,-0.3 3,-1.7 97,-0.2 66,-0.2 -0.681 48.0 -84.3 -99.3 158.8 -15.6 -13.5 -45.6 16 14 A E T 3 S+ 0 0 70 97,-0.8 66,-0.2 -2,-0.3 -1,-0.1 -0.355 116.6 25.1 -62.6 144.2 -13.2 -14.3 -42.9 17 15 A E T 3 S+ 0 0 154 64,-3.2 -1,-0.2 1,-0.3 2,-0.1 0.433 91.5 128.9 77.2 1.1 -10.1 -12.0 -42.8 18 16 A D < - 0 0 69 -3,-1.7 63,-1.9 63,-0.2 2,-0.3 -0.437 67.4-103.6 -74.1 161.1 -12.1 -9.2 -44.5 19 17 A F - 0 0 113 61,-0.2 2,-0.4 -2,-0.1 60,-0.2 -0.687 36.6-137.3 -87.7 142.4 -12.0 -5.8 -42.8 20 18 A L E +P 78 0C 3 58,-3.9 58,-1.6 -2,-0.3 2,-0.4 -0.861 26.5 168.2-109.8 135.1 -15.1 -4.8 -40.9 21 19 A T E -P 77 0C 59 -2,-0.4 2,-0.5 56,-0.2 56,-0.2 -0.985 6.0-179.9-140.4 127.1 -16.9 -1.5 -40.8 22 20 A I E -P 76 0C 5 54,-1.5 54,-2.5 -2,-0.4 2,-0.1 -0.988 25.3-135.9-127.4 118.5 -20.4 -0.9 -39.3 23 21 A H + 0 0 93 -2,-0.5 -15,-1.1 52,-0.2 2,-0.3 -0.435 24.2 175.6 -77.1 148.6 -21.6 2.7 -39.5 24 22 A a E +A 7 0A 2 -17,-0.2 50,-2.3 -2,-0.1 2,-0.4 -0.906 3.5 176.9-153.6 121.4 -23.3 4.6 -36.7 25 23 A N E -AB 6 73A 62 -19,-2.9 -19,-3.3 -2,-0.3 2,-0.3 -0.937 16.7-150.1-122.7 147.2 -24.4 8.2 -36.7 26 24 A Y E -A 5 0A 17 46,-2.3 2,-0.5 -2,-0.4 -21,-0.2 -0.879 15.1-156.2-122.7 155.9 -26.3 9.8 -33.8 27 25 A S E +A 4 0A 68 -23,-2.6 -23,-2.3 -2,-0.3 2,-0.3 -0.947 34.1 159.5-126.7 103.1 -28.8 12.6 -33.3 28 26 A A - 0 0 30 -2,-0.5 -26,-0.1 -25,-0.2 -2,-0.0 -0.969 40.1-149.7-131.4 146.8 -28.5 13.8 -29.8 29 27 A S S S+ 0 0 64 -2,-0.3 -1,-0.1 -28,-0.1 2,-0.0 0.625 86.0 29.8 -87.9 -15.3 -29.5 17.1 -28.1 30 28 A G S S- 0 0 8 573,-0.0 -2,-0.1 0, 0.0 573,-0.1 0.098 106.6 -73.7-113.2-133.7 -26.7 17.1 -25.4 31 29 A Y - 0 0 22 454,-0.2 458,-0.1 -2,-0.0 -2,-0.0 -0.744 60.9-168.7-134.7 82.1 -23.2 15.8 -25.4 32 30 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 63,-0.3 -0.225 23.3-121.6 -74.4 159.1 -23.6 12.0 -25.1 33 31 A A E -E 94 0B 8 61,-2.8 61,-1.7 20,-0.0 2,-0.3 -0.738 34.3-138.1 -93.8 147.8 -21.2 9.1 -24.4 34 32 A L E +EF 93 51B 2 17,-3.1 17,-1.4 -2,-0.3 2,-0.3 -0.843 22.7 179.2-115.4 150.2 -21.2 6.6 -27.2 35 33 A F E -EF 92 50B 0 57,-2.8 57,-2.0 -2,-0.3 2,-0.4 -0.951 21.1-148.8-144.3 165.2 -21.1 2.7 -27.1 36 34 A W E -EF 91 49B 0 13,-1.5 12,-2.1 -2,-0.3 13,-1.1 -0.995 17.2-173.8-134.4 135.9 -21.0 -0.5 -29.1 37 35 A Y E -EF 90 47B 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.921 11.8-147.0-126.9 154.0 -22.5 -3.8 -27.9 38 36 A V E -EF 89 46B 0 8,-2.3 8,-2.1 -2,-0.3 2,-0.6 -0.987 4.7-161.7-124.7 134.3 -22.4 -7.2 -29.4 39 37 A Q E -E 88 0B 20 49,-2.8 49,-2.3 -2,-0.4 3,-0.1 -0.923 9.0-163.7-119.8 106.1 -25.1 -9.8 -29.2 40 38 A Y > - 0 0 36 -2,-0.6 3,-1.8 4,-0.4 47,-0.1 -0.496 44.3 -68.6 -82.7 156.6 -24.1 -13.3 -30.0 41 39 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.136 119.3 6.9 -47.1 128.0 -26.7 -16.0 -30.8 42 40 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.615 114.7 94.8 73.1 13.2 -28.9 -16.9 -27.8 43 41 A E S < S- 0 0 88 -3,-1.8 -1,-0.2 3,-0.0 175,-0.1 -0.802 74.5-108.1-129.9 171.3 -27.5 -14.2 -25.6 44 42 A G - 0 0 8 -2,-0.3 -4,-0.4 173,-0.2 -6,-0.1 -0.561 54.9 -76.5 -93.2 163.6 -28.2 -10.7 -24.5 45 43 A P - 0 0 2 0, 0.0 172,-0.8 0, 0.0 2,-0.4 -0.248 48.7-155.4 -58.3 146.1 -26.1 -7.7 -25.7 46 44 A Q E -FG 38 216B 71 -8,-2.1 -8,-2.3 170,-0.1 170,-0.1 -0.992 23.4 -98.5-130.4 137.9 -22.7 -7.4 -24.0 47 45 A F E +F 37 0B 54 168,-0.6 -10,-0.2 -2,-0.4 3,-0.1 -0.145 35.5 173.6 -51.3 137.0 -20.6 -4.3 -23.6 48 46 A L E - 0 0 6 -12,-2.1 2,-0.3 1,-0.4 -11,-0.2 0.741 57.6 -52.9-108.8 -63.7 -17.8 -3.7 -26.1 49 47 A F E -F 36 0B 7 -13,-1.1 -13,-1.5 9,-0.1 -1,-0.4 -0.977 43.6-135.5-168.1 172.6 -16.5 -0.2 -25.2 50 48 A R E -F 35 0B 44 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.833 2.2-159.7-133.7 172.0 -17.4 3.4 -24.7 51 49 A A E -F 34 0B 0 -17,-1.4 -17,-3.1 -2,-0.3 7,-0.1 -0.906 1.8-169.5-155.0 124.4 -16.1 6.9 -25.6 52 50 A S + 0 0 9 -2,-0.3 2,-0.3 -19,-0.2 -1,-0.1 0.776 64.8 21.8 -91.1 -30.1 -17.1 10.0 -23.7 53 51 A R S > S- 0 0 66 1,-0.1 3,-1.9 -19,-0.1 14,-0.3 -0.920 93.4 -65.8-139.4 165.4 -15.9 12.9 -25.8 54 52 A D T 3 S+ 0 0 44 -2,-0.3 14,-0.2 1,-0.2 3,-0.1 -0.096 115.8 13.6 -48.9 137.9 -14.9 13.9 -29.3 55 53 A K T 3 S+ 0 0 164 12,-3.4 2,-0.3 1,-0.3 -1,-0.2 0.312 92.2 130.3 75.8 -6.8 -11.7 12.2 -30.7 56 54 A E < - 0 0 41 -3,-1.9 11,-2.8 11,-0.1 2,-0.5 -0.605 47.2-147.2 -79.7 137.3 -11.7 9.6 -28.0 57 55 A K E -Q 66 0C 110 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.911 8.0-161.4-112.0 129.7 -11.3 6.0 -29.2 58 56 A G E +Q 65 0C 7 7,-2.4 7,-1.8 -2,-0.5 2,-0.3 -0.778 18.1 172.6-103.5 150.4 -12.9 3.0 -27.5 59 57 A S E +Q 64 0C 76 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.995 15.4 162.3-156.7 159.8 -11.6 -0.5 -28.2 60 58 A S E > S-Q 63 0C 43 3,-2.3 3,-2.2 -2,-0.3 -11,-0.1 -0.744 71.4 -5.5-180.0 127.6 -11.9 -4.2 -27.2 61 59 A R T 3 S- 0 0 131 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.819 130.9 -47.4 51.6 38.6 -11.0 -7.5 -28.8 62 61 A G T 3 S+ 0 0 52 1,-0.3 17,-0.5 16,-0.1 -1,-0.3 0.182 115.1 114.0 92.6 -19.6 -9.9 -5.9 -32.0 63 62 A F E < +QR 60 78C 1 -3,-2.2 -3,-2.3 15,-0.1 -1,-0.3 -0.614 38.2 165.1 -86.1 147.9 -13.0 -3.7 -32.3 64 63 A E E -QR 59 77C 67 13,-1.8 13,-2.6 -2,-0.3 2,-0.3 -0.988 17.4-174.9-158.3 156.3 -12.7 0.0 -32.1 65 64 A A E -Q 58 0C 0 -7,-1.8 -7,-2.4 -2,-0.3 2,-0.5 -0.965 17.1-140.7-154.6 141.3 -14.6 3.2 -32.8 66 65 A T E -Q 57 0C 61 9,-0.5 2,-0.5 -2,-0.3 9,-0.4 -0.915 22.9-119.0-112.0 131.7 -13.6 6.9 -32.6 67 66 A Y - 0 0 1 -11,-2.8 -12,-3.4 -2,-0.5 2,-0.6 -0.525 33.4-178.1 -66.8 114.6 -16.0 9.6 -31.3 68 67 A N B >> +C 73 0A 58 5,-2.5 5,-2.3 -2,-0.5 4,-0.5 -0.835 10.6 176.0-121.6 94.3 -16.4 12.0 -34.2 69 68 A K T 45S+ 0 0 85 -2,-0.6 -1,-0.1 3,-0.2 5,-0.0 0.781 77.2 62.6 -66.4 -30.5 -18.6 14.9 -33.2 70 69 A E T 45S+ 0 0 186 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.891 119.9 24.7 -63.4 -41.1 -18.2 16.8 -36.5 71 70 A A T 45S- 0 0 42 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.340 104.5-127.4-104.1 5.7 -19.9 13.9 -38.4 72 71 A T T <5 + 0 0 55 -4,-0.5 -46,-2.3 1,-0.2 2,-0.3 0.929 63.6 140.6 43.9 53.7 -21.8 12.7 -35.3 73 72 A S B < +BC 25 68A 6 -5,-2.3 -5,-2.5 -48,-0.2 -48,-0.2 -0.869 44.8 179.9-126.0 158.9 -20.4 9.3 -36.0 74 73 A F - 0 0 0 -50,-2.3 2,-0.3 -2,-0.3 -7,-0.1 -0.433 26.7-172.8-151.3 59.7 -19.0 6.3 -34.0 75 74 A H - 0 0 52 -9,-0.4 -9,-0.5 -52,-0.1 -52,-0.2 -0.451 20.9-125.7 -69.6 124.9 -18.2 3.9 -36.8 76 75 A L E -P 22 0C 0 -54,-2.5 -54,-1.5 -2,-0.3 2,-0.3 -0.432 26.9-167.3 -70.9 139.2 -17.2 0.4 -35.7 77 76 A Q E +PR 21 64C 60 -13,-2.6 -13,-1.8 -56,-0.2 2,-0.3 -0.976 15.1 168.8-131.1 142.2 -13.8 -0.9 -37.0 78 77 A K E -PR 20 63C 26 -58,-1.6 -58,-3.9 -2,-0.3 3,-0.3 -0.900 25.3-145.7-155.1 120.0 -12.3 -4.5 -37.0 79 78 A A S S- 0 0 68 -17,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.910 83.8 -0.3 -54.9 -56.8 -9.2 -5.4 -39.0 80 79 A S S S- 0 0 57 -61,-0.2 -1,-0.2 -18,-0.0 -61,-0.2 -0.772 74.8-148.7-145.7 99.0 -10.0 -9.1 -40.0 81 80 A V - 0 0 0 -63,-1.9 -64,-3.2 -3,-0.3 2,-0.3 -0.092 8.1-152.3 -62.6 159.0 -13.2 -10.7 -38.9 82 81 A Q > - 0 0 81 -66,-0.2 3,-2.5 -65,-0.1 4,-0.2 -0.843 34.3 -99.4-127.7 165.4 -13.6 -14.4 -38.1 83 82 A E G > S+ 0 0 98 1,-0.3 3,-2.0 -2,-0.3 29,-0.4 0.870 121.5 61.6 -54.0 -38.8 -16.6 -16.7 -38.3 84 83 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -44,-0.0 -3,-0.0 0.522 87.6 73.8 -68.4 -3.1 -17.2 -16.3 -34.6 85 84 A D G < + 0 0 10 -3,-2.5 -1,-0.3 27,-0.1 2,-0.2 0.553 67.0 119.7 -85.2 -6.3 -17.7 -12.6 -35.1 86 85 A S < + 0 0 27 -3,-2.0 2,-0.3 -4,-0.2 25,-0.2 -0.432 44.2 97.2 -61.0 121.3 -21.1 -13.4 -36.6 87 86 A A E S- H 0 110B 3 23,-1.1 23,-3.1 -2,-0.2 2,-0.5 -0.962 77.1 -71.2 179.4-172.7 -23.6 -11.6 -34.4 88 87 A V E -EH 39 109B 35 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.933 41.0-154.2-109.1 124.6 -25.7 -8.4 -34.0 89 88 A Y E -EH 38 108B 0 19,-2.7 19,-2.2 -2,-0.5 2,-0.4 -0.847 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