==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 17-JAN-08 3BZD . COMPND 2 MOLECULE: T CELL RECEPTOR BETA CHAIN 8.2; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.CHO . 343 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 1 0.3 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 . 30 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 . 2 3 3 4 0 4 1 1 0 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 1 1 2 0 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 A 0 0 119 0, 0.0 25,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 69.5 33.4 52.7 -42.7 2 3 A A + 0 0 36 1,-0.1 23,-0.6 23,-0.1 2,-0.4 0.761 360.0 1.8 -17.8 -88.0 29.6 52.6 -42.4 3 4 A V E -A 24 0A 13 97,-0.4 2,-0.4 21,-0.2 21,-0.2 -0.969 64.2-174.6-122.0 131.6 28.5 55.4 -40.0 4 5 A T E -A 23 0A 58 19,-2.1 19,-2.5 -2,-0.4 2,-0.2 -0.986 6.6-157.9-127.4 136.4 30.9 58.0 -38.2 5 6 A Q E -A 22 0A 22 -2,-0.4 17,-0.2 17,-0.2 3,-0.1 -0.547 17.3-117.5-100.6 170.5 30.1 60.6 -35.6 6 7 A S E S+A 21 0A 61 15,-1.7 15,-2.4 1,-0.3 2,-0.2 -0.839 84.8 21.0-162.5 129.8 31.9 63.8 -34.6 7 8 A P - 0 0 48 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.582 65.3-163.1 -88.0 170.5 33.1 64.6 -32.1 8 9 A R S S+ 0 0 91 1,-0.3 97,-2.4 -2,-0.2 2,-0.4 0.905 78.1 23.8 -78.3 -39.1 33.8 61.3 -30.3 9 10 A N E S+d 105 0B 106 95,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.992 71.1 179.9-136.0 127.3 34.3 62.8 -26.8 10 11 A K E -d 106 0B 61 95,-3.1 97,-1.2 -2,-0.4 2,-0.5 -0.949 16.1-176.6-144.3 125.5 33.0 66.1 -25.5 11 12 A V E +d 107 0B 107 -2,-0.4 2,-0.3 95,-0.2 97,-0.2 -0.931 22.8 167.8-115.4 107.6 33.2 68.1 -22.2 12 13 A A E -d 108 0B 5 95,-3.1 97,-2.3 -2,-0.5 2,-0.1 -0.873 34.3-109.9-126.1 153.3 31.2 71.3 -22.2 13 14 A V > - 0 0 80 -2,-0.3 3,-0.6 96,-0.3 67,-0.2 -0.444 47.1 -90.0 -80.7 147.9 30.0 73.8 -19.6 14 15 A T T 3 S+ 0 0 61 1,-0.2 67,-0.2 -2,-0.1 -1,-0.1 -0.428 113.8 30.7 -63.0 121.8 26.4 74.1 -18.6 15 16 A G T 3 S+ 0 0 36 1,-0.4 65,-0.4 65,-0.3 -1,-0.2 -0.516 84.8 113.2 134.3 -63.4 25.0 76.7 -20.9 16 17 A E S < S- 0 0 84 -3,-0.6 64,-1.7 63,-0.2 2,-0.7 0.161 71.0-105.2 -46.4 156.8 26.9 76.6 -24.2 17 18 A K - 0 0 122 62,-0.2 2,-0.5 63,-0.0 61,-0.2 -0.741 37.6-164.5 -89.6 112.1 25.4 75.5 -27.5 18 19 A V E - B 0 77A 5 59,-2.1 59,-1.0 -2,-0.7 2,-0.4 -0.872 6.8-168.9-107.8 132.0 26.5 72.0 -28.5 19 20 A T E - B 0 76A 70 -2,-0.5 2,-0.6 57,-0.2 57,-0.2 -0.923 7.8-154.8-111.8 127.2 26.1 70.4 -32.0 20 21 A L E - B 0 75A 3 55,-3.6 55,-2.0 -2,-0.4 2,-0.4 -0.868 10.0-155.8-107.4 118.7 26.7 66.7 -32.9 21 22 A S E +AB 6 74A 40 -15,-2.4 -15,-1.7 -2,-0.6 2,-0.4 -0.733 14.5 175.7 -97.9 127.7 27.7 65.8 -36.5 22 23 A a E -AB 5 73A 0 51,-2.4 51,-1.7 -2,-0.4 2,-0.3 -0.962 5.0-176.6-127.5 140.6 27.0 62.4 -37.9 23 24 A Q E -AB 4 72A 108 -19,-2.5 -19,-2.1 -2,-0.4 49,-0.2 -1.000 7.2-153.9-145.7 149.2 27.7 61.3 -41.5 24 25 A Q E -A 3 0A 8 47,-2.7 -21,-0.2 -2,-0.3 47,-0.1 -0.469 18.2-169.1-116.4 175.4 27.1 58.2 -43.7 25 26 A T S S+ 0 0 85 -23,-0.6 -22,-0.1 -2,-0.2 -23,-0.1 0.382 85.8 64.6-140.7 -11.4 28.5 56.5 -46.7 26 27 A N S S- 0 0 89 -24,-0.4 -23,-0.1 -25,-0.1 -24,-0.1 0.322 96.2-136.6 -95.7 5.7 25.9 53.8 -47.5 27 28 A N + 0 0 54 1,-0.1 2,-0.4 44,-0.1 44,-0.1 0.890 33.0 179.7 38.7 70.9 23.5 56.6 -48.2 28 29 A H - 0 0 17 42,-0.2 -1,-0.1 1,-0.1 66,-0.1 -0.829 30.4-134.6 -95.6 142.4 20.5 55.2 -46.3 29 30 A N S S+ 0 0 49 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.974 88.8 65.7 -52.3 -57.7 17.2 57.2 -46.3 30 31 A N E +E 93 0B 45 63,-1.1 63,-2.3 -3,-0.1 2,-0.3 -0.571 62.2 173.7 -79.2 129.6 16.5 56.7 -42.7 31 32 A M E -EF 92 48B 0 17,-2.1 17,-1.9 -2,-0.4 2,-0.3 -0.952 9.9-163.4-134.1 143.8 18.9 58.1 -40.2 32 33 A Y E -EF 91 47B 48 59,-3.8 59,-2.3 -2,-0.3 2,-0.5 -0.942 14.1-148.7-134.2 152.4 18.5 58.1 -36.5 33 34 A W E -EF 90 46B 0 13,-2.0 13,-1.2 -2,-0.3 12,-1.0 -0.976 26.8-173.6-125.7 121.3 19.8 59.8 -33.4 34 35 A Y E +EF 89 44B 41 55,-3.5 55,-1.4 -2,-0.5 2,-0.3 -0.578 21.5 175.8-122.3 168.4 20.0 58.0 -30.1 35 36 A R E -EF 88 43B 48 8,-0.6 8,-3.9 53,-0.3 2,-0.3 -0.947 14.2-161.7-161.8 137.5 20.8 58.2 -26.4 36 37 A Q E - F 0 42B 29 51,-1.2 51,-0.5 -2,-0.3 6,-0.2 -0.979 30.4 -92.5-135.1 153.5 20.5 55.7 -23.7 37 38 A D > - 0 0 83 4,-1.5 3,-2.7 -2,-0.3 2,-0.2 -0.146 68.6 -76.1 -54.8 139.1 20.3 55.5 -19.8 38 39 A T T 3 S- 0 0 121 1,-0.3 -1,-0.2 2,-0.0 3,-0.1 -0.139 118.7 -13.9 -35.6 95.4 23.8 55.1 -18.2 39 40 A G T 3 S+ 0 0 78 -3,-0.2 -1,-0.3 -2,-0.2 2,-0.1 0.931 125.4 90.1 63.5 45.9 24.3 51.4 -19.0 40 41 A H S < S- 0 0 126 -3,-2.7 2,-0.3 1,-0.1 -1,-0.1 -0.194 82.4 -39.6-130.1-131.2 20.7 50.7 -19.9 41 42 A G - 0 0 44 -2,-0.1 -4,-1.5 -3,-0.1 2,-0.4 -0.749 52.6-107.7-108.6 157.7 18.8 50.9 -23.2 42 43 A L E -F 36 0B 76 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.663 32.8-163.5 -88.7 129.7 18.8 53.3 -26.2 43 44 A R E -F 35 0B 131 -8,-3.9 -8,-0.6 -2,-0.4 2,-0.5 -0.975 22.5-109.5-124.0 130.6 15.8 55.7 -26.5 44 45 A L E +F 34 0B 29 -2,-0.4 14,-3.3 -10,-0.1 15,-0.9 -0.369 36.8 164.9 -62.4 109.3 14.8 57.7 -29.6 45 46 A I E - 0 0 0 -12,-1.0 12,-2.7 -2,-0.5 2,-0.3 0.971 69.7 -10.8 -80.5 -59.7 15.2 61.5 -29.5 46 47 A H E -FG 33 56B 1 -13,-1.2 -13,-2.0 10,-0.2 -1,-0.3 -0.999 59.6-177.4-147.5 145.7 14.9 62.4 -33.2 47 48 A Y E -FG 32 55B 54 8,-2.4 8,-2.3 -2,-0.3 2,-0.3 -0.765 10.0-148.6-132.8 174.8 14.8 60.6 -36.5 48 49 A S E -F 31 0B 1 -17,-1.9 -17,-2.1 6,-0.2 6,-0.2 -0.941 17.1-166.9-153.6 132.7 14.6 61.4 -40.2 49 50 A Y E S- 0 0 96 4,-0.4 2,-0.3 -2,-0.3 5,-0.1 0.675 81.4 -15.5 -78.3 -24.5 13.2 59.9 -43.5 50 51 A G E > S- G 0 53B 3 3,-0.8 3,-0.5 150,-0.1 -1,-0.3 -0.965 88.3 -59.7-176.6 153.6 15.0 62.2 -45.8 51 52 A A T 3 S+ 0 0 4 -2,-0.3 149,-0.6 1,-0.2 148,-0.3 -0.140 118.3 28.0 -46.1 140.9 17.0 65.4 -46.1 52 53 A G T 3 S+ 0 0 4 15,-4.7 -1,-0.2 147,-0.1 2,-0.2 0.810 110.1 84.8 69.4 32.9 15.0 68.5 -45.1 53 54 A S E < +G 50 0B 10 -3,-0.5 -3,-0.8 14,-0.4 -4,-0.4 -0.643 43.2 167.7-168.9 123.4 12.9 66.5 -42.7 54 55 A T E - 0 0 6 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.784 14.7-153.5-118.5 159.6 12.9 65.3 -39.1 55 56 A E E -G 47 0B 23 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.1 -0.996 28.6-102.0-135.1 146.9 10.4 63.8 -36.6 56 57 A K E -G 46 0B 82 -2,-0.4 -10,-0.2 -10,-0.2 -11,-0.1 -0.425 38.5-161.4 -63.4 133.7 10.1 63.8 -32.9 57 58 A G - 0 0 20 -12,-2.7 -12,-0.3 -2,-0.1 -1,-0.1 0.188 42.9 -64.9 -94.4-149.5 11.1 60.6 -31.1 58 59 A D S S+ 0 0 103 -14,-3.3 -13,-0.2 1,-0.2 3,-0.2 0.978 131.9 24.9 -69.1 -60.9 10.5 59.2 -27.7 59 60 A I S S+ 0 0 34 -15,-0.9 -1,-0.2 1,-0.2 -14,-0.1 -0.401 74.4 150.5-101.3 55.4 12.3 61.8 -25.7 60 61 A P > + 0 0 21 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.904 36.2 112.1 -54.0 -53.8 12.3 64.9 -28.1 61 62 A D T 3 S+ 0 0 138 1,-0.2 3,-0.1 -3,-0.2 -2,-0.0 0.342 80.9 13.4 -31.7 132.3 12.3 67.5 -25.4 62 63 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 18,-0.0 -1,-0.2 0.613 108.8 101.2 74.2 12.8 15.4 69.7 -25.0 63 65 A Y < - 0 0 6 -3,-1.0 2,-0.4 14,-0.1 -1,-0.2 -0.966 47.8-166.0-127.8 158.4 16.9 68.6 -28.5 64 66 A K E -C 76 0A 52 12,-2.4 12,-4.8 -2,-0.3 2,-0.2 -0.974 13.8-175.4-126.9 139.6 17.1 70.1 -32.0 65 67 A A E -C 75 0A 5 -2,-0.4 2,-0.2 10,-0.3 10,-0.2 -0.726 6.8-166.3-125.9 177.3 18.0 68.1 -35.1 66 68 A S E -C 74 0A 46 8,-1.0 8,-1.1 -2,-0.2 -15,-0.1 -0.745 11.7-163.9-166.4 130.0 18.7 68.7 -38.8 67 69 A R E + 0 0 4 -2,-0.2 -15,-4.7 6,-0.2 -14,-0.4 -0.909 19.0 163.2-119.1 102.6 19.0 66.7 -42.0 68 70 A P E + 0 0 41 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.499 69.3 12.5 -94.9 -4.2 20.6 68.7 -44.7 69 71 A S E > S-C 72 0A 16 3,-0.9 3,-5.1 98,-0.1 -17,-0.0 -0.820 83.1-102.3-176.4 122.1 21.5 65.9 -47.0 70 72 A Q T 3 S+ 0 0 16 1,-0.3 -42,-0.2 -2,-0.2 -1,-0.1 0.631 123.0 40.9 -10.2 -45.4 20.7 62.1 -47.3 71 73 A E T 3 S+ 0 0 37 -44,-0.1 -47,-2.7 -47,-0.1 2,-0.4 0.324 108.3 69.2-100.0 9.2 24.0 61.2 -45.8 72 74 A Q E < +BC 23 69A 33 -3,-5.1 -3,-0.9 -49,-0.2 2,-0.3 -0.988 46.6 162.7-134.7 138.7 24.2 63.9 -43.0 73 75 A F E -B 22 0A 0 -51,-1.7 -51,-2.4 -2,-0.4 2,-0.3 -0.961 14.3-164.4-150.6 148.5 22.2 64.5 -39.7 74 76 A S E -BC 21 66A 20 -8,-1.1 -8,-1.0 -2,-0.3 2,-0.6 -0.986 16.5-137.7-145.4 142.2 23.1 66.6 -36.6 75 77 A L E -BC 20 65A 0 -55,-2.0 -55,-3.6 -2,-0.3 2,-0.4 -0.931 23.0-158.4-108.5 115.9 21.9 67.0 -33.0 76 78 A I E -BC 19 64A 41 -12,-4.8 -12,-2.4 -2,-0.6 2,-0.4 -0.782 12.2-176.9 -97.2 141.9 21.6 70.6 -31.8 77 79 A L E -B 18 0A 3 -59,-1.0 -59,-2.1 -2,-0.4 3,-0.3 -0.914 1.3-175.6-138.8 106.0 21.6 71.6 -28.2 78 80 A E S S+ 0 0 98 -2,-0.4 2,-0.8 1,-0.3 -1,-0.2 0.995 78.4 11.6 -76.3 -73.1 21.1 75.2 -27.6 79 81 A S S S- 0 0 88 -62,-0.1 -1,-0.3 -65,-0.0 -63,-0.2 -0.893 86.2-149.4-104.7 104.8 21.5 75.6 -23.8 80 82 A A - 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