==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 30-MAY-07 2Z31 . 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 . 603 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 69.5 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 . 222 36.8 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 . 1 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 . 72 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 . 6 6 11 5 1 7 3 3 1 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 . 0 0 4 3 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 D 0 0 90 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 151.9 -32.6 11.2 -29.0 2 2 A S E -A 25 0A 58 23,-1.0 23,-2.6 99,-0.1 2,-0.6 -0.992 360.0-148.4-155.3 148.3 -31.9 8.5 -31.5 3 3 A V E -A 24 0A 10 99,-0.5 101,-0.5 -2,-0.3 2,-0.5 -0.921 21.4-167.9-119.6 101.9 -29.2 6.2 -32.6 4 4 A T E -A 23 0A 89 19,-1.8 19,-2.9 -2,-0.6 2,-0.3 -0.795 13.2-175.6 -94.4 130.3 -29.5 5.4 -36.3 5 5 A Q E -A 22 0A 18 -2,-0.5 17,-0.2 17,-0.2 99,-0.1 -0.952 31.9 -64.9-136.1 152.8 -27.3 2.6 -37.6 6 6 A T S S- 0 0 33 15,-1.9 -1,-0.1 -2,-0.3 4,-0.1 0.242 72.5 -78.3 -27.1 129.1 -26.3 0.7 -40.7 7 7 A G - 0 0 63 99,-0.1 -2,-0.1 1,-0.1 3,-0.1 0.569 57.9 -84.1 3.2-137.0 -29.0 -1.3 -42.5 8 8 A G S S+ 0 0 49 1,-0.3 99,-3.5 98,-0.1 2,-0.4 0.668 97.1 21.8-121.7 -60.5 -30.2 -4.6 -41.1 9 9 A Q E -d 107 0B 123 97,-0.2 2,-0.3 77,-0.0 -1,-0.3 -0.957 54.7-179.7-126.3 135.3 -27.9 -7.4 -42.4 10 10 A V E -d 108 0B 51 97,-2.9 99,-2.3 -2,-0.4 2,-0.4 -0.929 10.9-155.3-124.9 148.3 -24.4 -7.5 -43.7 11 11 A A E +d 109 0B 60 -2,-0.3 2,-0.3 97,-0.2 99,-0.2 -0.988 16.7 169.7-129.3 128.5 -22.3 -10.5 -44.9 12 12 A L E -d 110 0B 33 97,-2.5 99,-3.7 -2,-0.4 2,-0.3 -0.833 30.1-119.5-129.3 166.9 -18.5 -10.8 -45.0 13 13 A S E > -d 111 0B 64 -2,-0.3 3,-1.8 97,-0.2 66,-0.2 -0.689 49.0 -85.1-100.4 159.2 -15.9 -13.4 -45.6 14 14 A E T 3 S+ 0 0 67 97,-1.1 66,-0.2 -2,-0.3 -1,-0.1 -0.291 117.8 28.1 -60.2 153.4 -13.4 -14.3 -42.9 15 15 A E T 3 S+ 0 0 130 64,-2.7 -1,-0.2 1,-0.2 65,-0.1 0.353 94.3 128.9 77.1 -8.1 -10.4 -11.9 -42.9 16 16 A D < - 0 0 62 -3,-1.8 63,-1.7 63,-0.2 2,-0.6 -0.168 67.5 -99.1 -71.3 173.5 -12.5 -9.2 -44.4 17 17 A F - 0 0 113 61,-0.2 2,-0.3 -3,-0.1 60,-0.2 -0.861 34.6-142.7-101.3 118.4 -12.6 -5.7 -42.9 18 18 A L E +P 76 0C 2 58,-1.3 58,-1.7 -2,-0.6 2,-0.3 -0.552 25.1 166.5 -81.9 140.6 -15.6 -4.9 -40.6 19 19 A T E -P 75 0C 50 -2,-0.3 2,-0.5 56,-0.2 56,-0.2 -0.852 7.8-178.9-153.4 112.4 -17.3 -1.5 -40.6 20 20 A I E -P 74 0C 2 54,-2.5 54,-2.3 -2,-0.3 2,-0.1 -0.955 22.8-136.7-119.1 116.6 -20.7 -0.9 -39.0 21 21 A H + 0 0 89 -2,-0.5 -15,-1.9 52,-0.2 2,-0.3 -0.410 25.0 172.5 -74.7 144.4 -22.1 2.7 -39.2 22 22 A a E +A 5 0A 2 -17,-0.2 50,-2.3 -2,-0.1 2,-0.3 -0.934 4.3 175.3-153.3 124.2 -23.7 4.5 -36.4 23 23 A N E -AB 4 71A 59 -19,-2.9 -19,-1.8 -2,-0.3 2,-0.3 -0.934 14.6-155.9-126.4 150.6 -24.8 8.1 -36.2 24 24 A Y E -A 3 0A 13 46,-2.0 2,-0.4 -2,-0.3 -21,-0.2 -0.898 15.2-150.0-130.1 159.5 -26.7 9.6 -33.3 25 25 A S E +A 2 0A 74 -23,-2.6 -23,-1.0 -2,-0.3 2,-0.3 -0.835 34.8 163.3-129.2 92.1 -29.0 12.6 -32.7 26 26 A A - 0 0 33 -2,-0.4 -2,-0.0 -25,-0.2 44,-0.0 -0.791 39.0-149.3-116.7 157.1 -28.6 13.9 -29.2 27 27 A S S S+ 0 0 64 -2,-0.3 2,-0.1 2,-0.0 -1,-0.1 0.725 84.2 22.8 -90.9 -26.7 -29.5 17.0 -27.3 28 28 A G S S- 0 0 8 570,-0.1 -2,-0.1 0, 0.0 570,-0.1 -0.159 106.6 -66.0-115.9-147.1 -26.6 17.0 -24.8 29 29 A Y - 0 0 25 452,-0.3 2,-0.1 -2,-0.1 456,-0.0 -0.872 63.5-169.1-113.5 93.5 -23.1 15.6 -24.6 30 30 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 63,-0.3 -0.424 23.4-120.6 -85.4 155.9 -23.8 11.8 -24.5 31 31 A A E -E 92 0B 12 61,-3.0 61,-1.5 -2,-0.1 2,-0.4 -0.704 32.3-146.6 -90.7 145.4 -21.5 8.8 -23.8 32 32 A L E +EF 91 49B 2 17,-2.6 17,-0.8 -2,-0.3 2,-0.3 -0.916 22.3 164.8-120.0 144.8 -21.4 6.3 -26.7 33 33 A F E -EF 90 48B 0 57,-2.6 57,-2.0 -2,-0.4 2,-0.3 -0.866 26.9-137.3-145.2-179.7 -21.1 2.6 -26.7 34 34 A W E -EF 89 47B 0 13,-1.2 12,-1.6 -2,-0.3 13,-1.1 -0.989 17.5-173.8-142.2 139.1 -21.3 -0.7 -28.6 35 35 A Y E -EF 88 45B 0 53,-2.4 53,-2.1 -2,-0.3 2,-0.4 -0.887 13.7-139.9-128.9 161.8 -22.8 -4.0 -27.3 36 36 A V E -EF 87 44B 0 8,-2.5 8,-1.1 -2,-0.3 2,-0.5 -0.955 4.0-157.6-125.7 143.4 -22.8 -7.4 -28.9 37 37 A Q E -E 86 0B 19 49,-2.1 49,-1.6 -2,-0.4 3,-0.1 -0.781 16.4-166.6-122.8 89.5 -25.6 -10.0 -29.0 38 38 A Y > - 0 0 40 -2,-0.5 3,-1.9 4,-0.4 47,-0.1 -0.302 44.6 -68.3 -68.5 154.7 -24.0 -13.4 -29.7 39 39 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.189 116.9 1.6 -48.9 123.8 -26.4 -16.3 -30.6 40 40 A G T 3 S+ 0 0 75 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.518 114.1 93.5 77.4 5.4 -28.7 -17.4 -27.8 41 41 A E S < S- 0 0 90 -3,-1.9 -1,-0.3 1,-0.0 175,-0.1 -0.559 77.7 -98.3-118.5-175.3 -27.5 -14.9 -25.3 42 42 A G - 0 0 8 173,-0.3 -4,-0.4 1,-0.2 175,-0.1 -0.651 53.8 -84.6 -98.6 159.7 -28.4 -11.4 -24.1 43 43 A P - 0 0 3 0, 0.0 172,-0.6 0, 0.0 2,-0.3 -0.087 49.1-160.4 -57.1 167.1 -26.5 -8.3 -25.4 44 44 A Q E -FG 36 214B 76 -8,-1.1 -8,-2.5 170,-0.1 170,-0.1 -0.983 21.6 -93.1-156.6 144.9 -23.3 -7.4 -23.7 45 45 A F E +F 35 0B 54 168,-0.5 -10,-0.2 -2,-0.3 3,-0.1 -0.108 33.3 172.2 -52.9 146.4 -20.9 -4.4 -23.2 46 46 A L E - 0 0 5 -12,-1.6 2,-0.3 1,-0.3 -11,-0.2 0.630 59.7 -45.1-123.4 -55.0 -18.0 -4.0 -25.6 47 47 A F E -F 34 0B 8 -13,-1.1 -13,-1.2 9,-0.1 -1,-0.3 -0.936 48.1-139.0-175.2 156.1 -16.5 -0.6 -24.9 48 48 A R E -F 33 0B 48 -2,-0.3 2,-0.2 -15,-0.2 -15,-0.2 -0.544 3.2-157.8-115.7-173.8 -17.6 3.0 -24.2 49 49 A A E -F 32 0B 0 -17,-0.8 -17,-2.6 -2,-0.2 7,-0.1 -0.753 3.3-172.1-167.6 116.1 -16.3 6.5 -25.2 50 50 A S + 0 0 11 -2,-0.2 2,-0.3 -19,-0.2 -17,-0.0 0.604 61.6 27.1 -94.1 -13.8 -17.1 9.7 -23.2 51 51 A R S > S- 0 0 65 -19,-0.1 3,-2.6 429,-0.0 14,-0.2 -0.999 90.2 -72.2-153.7 153.6 -15.9 12.6 -25.3 52 52 A D T 3 S+ 0 0 49 -2,-0.3 14,-0.2 1,-0.3 3,-0.1 -0.055 117.1 14.2 -44.5 130.7 -15.2 13.8 -28.8 53 53 A K T 3 S+ 0 0 159 12,-3.2 -1,-0.3 1,-0.3 13,-0.1 0.094 92.5 132.0 86.5 -19.3 -12.1 12.2 -30.3 54 54 A E < - 0 0 49 -3,-2.6 11,-3.1 10,-0.1 2,-0.4 -0.344 46.3-147.2 -64.3 142.4 -12.0 9.5 -27.6 55 55 A K E -Q 64 0C 116 9,-0.2 2,-0.4 -3,-0.1 9,-0.2 -0.929 7.7-158.9-115.0 137.9 -11.5 6.0 -29.0 56 56 A G E +Q 63 0C 5 7,-2.8 7,-2.1 -2,-0.4 2,-0.3 -0.899 14.6 175.9-115.1 145.2 -13.0 2.9 -27.5 57 57 A S E +Q 62 0C 81 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.945 11.6 158.5-143.9 165.6 -11.7 -0.7 -28.1 58 58 A S E > S-Q 61 0C 38 3,-2.1 3,-2.6 -2,-0.3 -11,-0.1 -0.676 71.4 -2.1 173.3 130.4 -12.3 -4.3 -27.1 59 59 A R T 3 S- 0 0 119 1,-0.3 3,-0.1 -2,-0.2 -13,-0.0 0.841 130.2 -53.1 48.8 39.0 -11.6 -7.7 -28.5 60 61 A G T 3 S+ 0 0 52 1,-0.3 17,-0.7 16,-0.1 -1,-0.3 0.241 115.0 116.3 85.1 -16.1 -10.1 -6.1 -31.6 61 62 A F E < +QR 58 76C 0 -3,-2.6 -3,-2.1 15,-0.2 2,-0.3 -0.653 40.2 172.7 -86.7 144.9 -13.2 -3.9 -32.2 62 63 A E E -QR 57 75C 62 13,-2.0 13,-3.0 -2,-0.3 2,-0.3 -0.996 16.9-178.0-153.8 153.9 -12.9 -0.2 -32.0 63 64 A A E -QR 56 74C 2 -7,-2.1 -7,-2.8 -2,-0.3 2,-0.5 -0.978 18.5-138.2-154.2 138.2 -14.8 3.0 -32.6 64 65 A T E -Q 55 0C 57 9,-0.5 2,-0.4 -2,-0.3 9,-0.3 -0.869 22.4-121.6-106.6 125.0 -14.0 6.7 -32.3 65 66 A Y - 0 0 1 -11,-3.1 -12,-3.2 -2,-0.5 2,-0.6 -0.435 32.1-174.7 -60.0 111.6 -16.3 9.4 -30.8 66 67 A N B > +C 71 0A 53 5,-2.6 5,-2.0 -2,-0.4 3,-0.4 -0.807 13.4 176.6-116.2 92.2 -16.8 11.9 -33.7 67 68 A K T 5S+ 0 0 76 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.766 77.7 63.2 -62.1 -27.0 -18.8 14.9 -32.4 68 69 A E T 5S+ 0 0 179 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.897 118.4 22.2 -66.6 -46.7 -18.4 16.6 -35.8 69 70 A A T 5S- 0 0 45 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.060 105.0-122.7-107.3 20.1 -20.3 14.0 -37.9 70 71 A T T 5 + 0 0 57 -3,-0.4 -46,-2.0 -4,-0.2 2,-0.3 0.868 66.2 144.2 35.1 53.6 -22.1 12.7 -34.8 71 72 A S B < +BC 23 66A 7 -5,-2.0 -5,-2.6 -48,-0.2 -48,-0.2 -0.862 42.8 178.0-122.8 155.0 -20.7 9.3 -35.6 72 73 A F - 0 0 0 -50,-2.3 2,-0.1 -2,-0.3 -7,-0.1 -0.250 25.6-173.7-147.9 48.9 -19.4 6.3 -33.7 73 74 A H - 0 0 55 -9,-0.3 -9,-0.5 -51,-0.2 2,-0.3 -0.271 18.1-133.7 -58.1 122.5 -18.5 3.9 -36.5 74 75 A L E -PR 20 63C 0 -54,-2.3 -54,-2.5 -11,-0.2 2,-0.4 -0.577 27.8-179.7 -80.1 130.7 -17.4 0.4 -35.5 75 76 A Q E -PR 19 62C 75 -13,-3.0 -13,-2.0 -2,-0.3 2,-0.4 -0.990 8.0-171.2-135.6 141.4 -14.4 -1.1 -37.1 76 77 A K E -PR 18 61C 26 -58,-1.7 -58,-1.3 -2,-0.4 3,-0.3 -0.993 27.2-125.3-138.0 145.2 -12.5 -4.3 -36.9 77 78 A A S S- 0 0 72 -17,-0.7 2,-0.4 -2,-0.4 -1,-0.2 0.924 88.1 -27.0 -39.5 -91.7 -9.2 -5.8 -38.2 78 79 A S S S- 0 0 36 -61,-0.2 -1,-0.2 0, 0.0 -61,-0.2 -0.989 75.0-125.5-136.2 121.6 -10.3 -9.0 -40.0 79 80 A V - 0 0 0 -63,-1.7 -64,-2.7 -2,-0.4 2,-0.3 -0.293 17.4-143.8 -69.4 154.3 -13.5 -10.6 -38.8 80 81 A Q > - 0 0 75 -66,-0.2 3,-4.5 -65,-0.1 4,-0.4 -0.907 28.5-108.8-118.5 146.8 -13.7 -14.3 -37.7 81 82 A E G > S+ 0 0 93 -2,-0.3 3,-1.0 1,-0.3 29,-0.3 0.762 120.4 59.5 -43.5 -30.6 -16.5 -16.7 -38.3 82 83 A S G 3 S+ 0 0 97 1,-0.2 -1,-0.3 -44,-0.0 -3,-0.0 0.478 86.6 77.3 -80.5 -1.2 -17.3 -16.5 -34.6 83 84 A D G < + 0 0 6 -3,-4.5 -1,-0.2 -45,-0.0 2,-0.2 0.657 62.2 121.1 -79.9 -15.9 -17.8 -12.7 -34.9 84 85 A S < + 0 0 24 -3,-1.0 2,-0.3 -4,-0.4 25,-0.2 -0.298 41.5 112.1 -53.3 112.0 -21.2 -13.3 -36.4 85 86 A A E S- H 0 108B 2 23,-0.5 23,-2.5 -2,-0.2 2,-0.6 -0.952 72.2 -83.5-166.7 178.5 -23.6 -11.5 -34.0 86 87 A V E -EH 37 107B 32 -49,-1.6 -49,-2.1 -2,-0.3 2,-0.6 -0.876 40.4-149.6-101.0 125.0 -25.9 -8.6 -33.8 87 88 A Y E -EH 36 106B 0 19,-2.9 19,-1.1 -2,-0.6 2,-0.4 -0.844 8.7-161.8-101.6 124.2 -24.2 -5.3 -33.1 88 89 A Y E -E 35 0B 10 -53,-2.1 -53,-2.4 -2,-0.6 2,-0.3 -0.860 2.5-157.6-105.2 133.2 -26.0 -2.7 -31.1 89 90 A a E +E 34 0B 2 -2,-0.4 14,-1.7 -55,-0.2 2,-0.3 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0 249E 0 13,-2.6 13,-1.8 -3,-0.4 2,-0.4 -0.663 13.9-161.5 -79.7 119.1 -25.3 19.2 -5.3 237 11 C V E -XW 417 248E 0 180,-2.0 180,-2.4 -2,-0.6 2,-0.3 -0.813 14.0-178.0-104.5 140.8 -26.7 16.2 -3.4 238 12 C V E -XW 416 247E 3 9,-2.0 9,-1.3 -2,-0.4 2,-0.6 -0.853 2.8-178.6-138.4 100.8 -27.6 16.1 0.3 239 13 C Y E -XW 415 246E 10 176,-1.5 176,-1.9 -2,-0.3 2,-0.5 -0.889 5.2-171.3-107.3 122.6 -28.8 12.8 1.7 240 14 C Q E > - W 0 245E 6 5,-3.4 5,-2.5 -2,-0.6 174,-0.3 -0.927 14.4-133.1-116.1 117.4 -29.8 12.8 5.4 241 15 C S T 5S+ 0 0 38 -2,-0.5 172,-1.3 3,-0.2 2,-0.1 -0.885 77.2 40.5-113.9 146.6 -30.6 9.6 7.4 242 16 C P T 5S+ 0 0 68 0, 0.0 171,-0.2 0, 0.0 3,-0.1 0.616 122.7 34.1 -81.5 166.2 -32.7 8.8 9.2 243 17 C G T 5S- 0 0 56 -2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.114 101.6-115.5 114.1 -14.9 -35.7 10.3 7.5 244 18 C D T 5 + 0 0 91 -4,-0.2 2,-0.5 1,-0.2 -3,-0.2 0.940 53.8 175.6 45.9 52.0 -34.4 9.8 4.1 245 19 C I E < +W 240 0E 69 -5,-2.5 -5,-3.4 -3,-0.1 2,-0.4 -0.777 3.4 179.2 -90.3 126.4 -34.3 13.5 3.7 246 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