==== 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 16-JAN-08 3BYY . COMPND 2 MOLECULE: T CELL RECEPTOR BETA CHAIN 8.2; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.CHO,J.S.ERIC . 343 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 28.3 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 . 2 0.6 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 . 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 . 29 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 7.6 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 1 0 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 0 1 2 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 0 7 2 2 1 1 1 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 . 1 3 0 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 0 118 0, 0.0 3,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 163.4 15.9 31.8 4.6 2 3 A A + 0 0 21 1,-0.2 23,-1.9 98,-0.1 24,-0.6 0.936 360.0 15.0 -53.7 -48.3 19.7 31.6 4.0 3 4 A V E -A 24 0A 8 97,-0.4 2,-0.5 21,-0.2 99,-0.2 -0.991 65.3-172.8-136.9 125.9 20.2 28.7 6.5 4 5 A T E -A 23 0A 59 19,-2.8 19,-2.9 -2,-0.4 2,-0.3 -0.985 7.9-170.4-121.8 124.4 17.7 26.4 8.0 5 6 A Q E -A 22 0A 11 -2,-0.5 17,-0.2 17,-0.2 97,-0.1 -0.846 17.6-116.0-111.8 150.2 18.6 23.9 10.7 6 7 A S E S+A 21 0A 62 15,-2.4 15,-2.7 -2,-0.3 2,-0.2 -0.997 79.7 25.9-148.4 147.0 16.6 21.1 12.1 7 8 A P - 0 0 47 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.597 61.0-163.3 -75.5 158.1 15.3 20.0 14.6 8 9 A R S S+ 0 0 83 1,-0.2 97,-2.4 -2,-0.2 2,-0.4 0.827 82.0 24.2 -71.6 -33.6 14.8 23.4 16.2 9 10 A N E S+c 105 0B 104 95,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.999 71.0 171.9-134.9 134.8 14.2 21.7 19.6 10 11 A K E -c 106 0B 60 95,-2.4 97,-2.1 -2,-0.4 2,-0.5 -0.982 16.7-166.4-148.1 131.4 15.4 18.2 20.7 11 12 A V E -c 107 0B 92 -2,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.983 23.4-179.1-114.0 125.4 15.3 16.3 24.0 12 13 A A E -c 108 0B 0 95,-2.9 97,-2.1 -2,-0.5 2,-0.3 -0.915 25.0-124.4-129.4 152.3 17.6 13.3 24.0 13 14 A V > - 0 0 83 -2,-0.3 3,-2.1 96,-0.2 67,-0.2 -0.697 48.1 -84.5 -94.4 148.2 18.5 10.6 26.5 14 15 A T T 3 S+ 0 0 75 -2,-0.3 67,-0.2 1,-0.3 -1,-0.1 -0.271 115.0 19.3 -54.7 125.5 22.1 9.9 27.4 15 16 A G T 3 S+ 0 0 40 65,-2.7 -1,-0.3 1,-0.4 2,-0.1 0.348 88.9 127.5 96.5 -4.4 23.7 7.6 24.8 16 17 A E < - 0 0 64 -3,-2.1 64,-2.6 64,-0.2 2,-0.7 -0.439 67.1-109.5 -77.7 157.2 21.2 8.1 21.9 17 18 A K - 0 0 123 62,-0.2 2,-0.4 -2,-0.1 61,-0.2 -0.855 37.4-167.8 -91.4 116.0 22.6 9.1 18.5 18 19 A V E -I 77 0C 0 59,-2.5 59,-3.9 -2,-0.7 2,-0.4 -0.924 6.6-172.9-107.4 131.9 21.7 12.7 17.7 19 20 A T E -I 76 0C 57 -2,-0.4 2,-0.5 57,-0.2 57,-0.2 -0.989 6.6-161.2-120.7 127.1 22.1 14.2 14.3 20 21 A L E -I 75 0C 0 55,-3.2 55,-2.8 -2,-0.4 2,-0.3 -0.947 12.7-154.7-107.0 131.5 21.5 17.9 13.6 21 22 A S E -A 6 0A 41 -15,-2.7 -15,-2.4 -2,-0.5 2,-0.4 -0.779 10.0-171.3-106.4 147.8 20.9 18.9 9.9 22 23 A a E -A 5 0A 0 -2,-0.3 51,-2.0 -17,-0.2 2,-0.4 -0.986 1.0-172.5-140.5 127.7 21.6 22.2 8.3 23 24 A Q E -AB 4 72A 99 -19,-2.9 -19,-2.8 -2,-0.4 2,-0.3 -0.972 4.5-164.1-122.6 132.8 20.6 23.3 4.8 24 25 A Q E -A 3 0A 5 47,-2.4 -21,-0.2 -2,-0.4 -22,-0.1 -0.724 13.0-164.2-112.2 163.2 21.6 26.4 3.0 25 26 A T S S+ 0 0 79 -23,-1.9 -22,-0.1 -2,-0.3 -23,-0.1 0.456 82.9 63.7-125.4 -7.8 20.0 28.0 -0.1 26 27 A N S S- 0 0 78 -24,-0.6 -23,-0.1 45,-0.1 -24,-0.1 0.429 94.1-134.7 -98.0 1.2 22.7 30.5 -1.1 27 28 A N + 0 0 47 -25,-0.2 2,-0.1 1,-0.1 44,-0.1 0.846 35.0 175.8 52.7 45.9 25.3 27.8 -1.8 28 29 A H - 0 0 30 2,-0.1 66,-0.2 1,-0.1 -1,-0.1 -0.493 36.9-122.5 -77.3 150.2 28.3 29.4 -0.1 29 30 A N S S+ 0 0 40 -2,-0.1 2,-0.4 180,-0.1 65,-0.2 0.865 88.2 64.3 -58.4 -40.8 31.4 27.3 0.0 30 31 A N E -D 93 0B 36 63,-2.1 63,-2.5 19,-0.1 2,-0.3 -0.715 55.6-179.6-100.7 132.0 31.9 27.3 3.9 31 32 A M E -DE 92 48B 0 17,-2.0 17,-1.9 -2,-0.4 2,-0.3 -0.961 7.6-169.8-124.3 151.0 29.6 25.7 6.5 32 33 A Y E -DE 91 47B 46 59,-2.6 59,-2.1 -2,-0.3 2,-0.5 -0.973 17.6-151.8-138.0 147.1 30.1 25.8 10.3 33 34 A W E +DE 90 46B 0 13,-2.3 12,-2.6 -2,-0.3 13,-0.8 -0.994 25.3 176.5-120.0 121.4 28.6 24.2 13.3 34 35 A Y E -DE 89 44B 39 55,-2.6 55,-2.5 -2,-0.5 2,-0.4 -0.883 19.1-150.2-114.0 151.1 28.9 26.3 16.5 35 36 A R E -DE 88 43B 47 8,-2.5 8,-2.9 -2,-0.3 2,-0.6 -0.978 17.9-133.9-116.1 145.7 27.6 25.7 20.1 36 37 A Q E -DE 87 42B 53 51,-3.3 51,-0.8 -2,-0.4 6,-0.2 -0.839 5.9-154.2-100.2 118.4 26.7 28.7 22.3 37 38 A D - 0 0 78 4,-2.0 -1,-0.2 -2,-0.6 5,-0.1 0.867 46.9-123.7 -49.0 -38.3 27.9 28.8 25.9 38 39 A T S S+ 0 0 80 3,-0.3 3,-0.2 -3,-0.1 -1,-0.0 0.536 94.6 30.2 85.8 120.8 24.9 31.0 26.6 39 40 A G S S+ 0 0 81 1,-0.3 2,-0.1 0, 0.0 -2,-0.0 0.396 129.7 50.7 74.0 1.2 25.6 34.4 28.2 40 41 A H S S- 0 0 137 1,-0.2 -1,-0.3 0, 0.0 2,-0.1 -0.357 94.6 -46.2-140.2-147.7 28.8 34.0 26.2 41 42 A G - 0 0 38 -3,-0.2 -4,-2.0 -2,-0.1 2,-0.4 -0.332 44.5 -97.4-102.1 176.2 30.1 33.2 22.8 42 43 A L E -E 36 0B 68 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.781 35.0-158.0 -87.8 129.2 29.9 30.8 19.9 43 44 A R E -E 35 0B 119 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.4 -0.964 17.7-122.5-114.4 128.8 32.4 28.0 19.9 44 45 A L E +E 34 0B 21 -2,-0.5 15,-2.3 -10,-0.2 14,-1.5 -0.538 30.0 173.3 -73.6 117.5 33.3 26.2 16.7 45 46 A I E - 0 0 0 -12,-2.6 12,-3.1 -2,-0.4 2,-0.3 0.949 67.6 -23.2 -78.9 -63.3 32.8 22.4 16.7 46 47 A H E -EF 33 56B 1 -13,-0.8 -13,-2.3 10,-0.3 -1,-0.4 -0.958 59.0-173.2-145.4 154.8 33.6 21.5 12.9 47 48 A Y E -EF 32 55B 49 8,-2.2 8,-3.0 -2,-0.3 2,-0.3 -0.852 9.9-147.1-139.8 169.3 33.4 23.4 9.6 48 49 A S E -E 31 0B 0 -17,-1.9 -17,-2.0 -2,-0.3 6,-0.1 -0.977 15.6-157.3-138.4 149.5 33.8 22.4 5.8 49 50 A Y E S- 0 0 124 -2,-0.3 2,-0.3 1,-0.3 5,-0.1 0.421 80.0 -23.5 -98.2 -0.7 35.2 24.1 2.8 50 51 A G E > S- F 0 53B 5 3,-0.5 3,-1.6 150,-0.1 -1,-0.3 -0.910 91.7 -44.1 166.2 164.9 33.2 21.9 0.5 51 52 A A T 3 S+ 0 0 3 -2,-0.3 148,-0.5 1,-0.2 149,-0.5 -0.101 120.8 20.9 -47.9 135.8 31.3 18.6 -0.1 52 53 A G T 3 S+ 0 0 5 15,-3.3 2,-0.4 1,-0.1 -1,-0.2 0.540 108.3 92.7 86.0 2.4 33.2 15.6 1.2 53 54 A S E < +F 50 0B 7 -3,-1.6 -3,-0.5 14,-0.3 2,-0.3 -0.997 41.1 167.8-140.8 129.8 35.4 17.6 3.6 54 55 A T E - 0 0 7 -2,-0.4 2,-0.3 75,-0.2 75,-0.3 -0.971 11.9-163.2-134.7 152.8 35.2 18.6 7.3 55 56 A E E -F 47 0B 20 -8,-3.0 -8,-2.2 -2,-0.3 2,-0.2 -0.960 29.1-100.7-135.3 153.3 37.8 20.1 9.7 56 57 A K E -F 46 0B 59 -2,-0.3 -10,-0.3 -10,-0.2 -11,-0.1 -0.502 32.3-159.9 -76.2 136.5 38.0 20.3 13.5 57 58 A G - 0 0 15 -12,-3.1 -12,-0.2 -2,-0.2 -1,-0.1 0.186 48.8 -68.2 -87.1-140.6 37.0 23.6 15.1 58 59 A D S S+ 0 0 122 -14,-1.5 -13,-0.2 1,-0.2 -2,-0.1 0.840 130.3 30.1 -87.7 -33.4 38.1 24.7 18.7 59 60 A I + 0 0 40 -15,-2.3 -1,-0.2 1,-0.1 4,-0.1 -0.512 68.4 145.4-124.2 65.9 36.0 22.1 20.4 60 61 A P > + 0 0 23 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.749 34.0 117.1 -72.6 -20.6 35.6 19.0 18.2 61 62 A D T 3 S+ 0 0 145 1,-0.3 3,-0.1 -16,-0.0 -2,-0.0 -0.188 80.9 15.8 -63.5 130.4 35.6 16.3 20.9 62 63 A G T 3 S+ 0 0 54 1,-0.2 16,-0.5 18,-0.0 2,-0.3 0.094 113.3 88.0 91.3 5.5 32.4 14.3 21.2 63 65 A Y < - 0 0 13 -3,-2.5 2,-0.3 14,-0.1 14,-0.2 -0.870 48.1-172.4-141.4 145.4 31.1 15.4 17.6 64 66 A K E -J 76 0C 76 12,-2.6 12,-3.2 -2,-0.3 2,-0.3 -0.750 13.1-160.0-117.5 174.7 31.4 14.2 14.1 65 67 A A E -J 75 0C 7 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.986 7.5-159.0-153.8 157.2 30.2 16.0 11.0 66 68 A S E -J 74 0C 51 8,-1.8 8,-3.0 -2,-0.3 3,-0.1 -0.996 9.6-168.1-144.6 134.0 29.4 15.3 7.4 67 69 A R + 0 0 4 -2,-0.3 -15,-3.3 6,-0.2 -14,-0.3 -0.763 19.2 166.4-116.9 83.3 29.1 17.5 4.3 68 70 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.736 68.1 6.1 -76.9 -17.2 27.4 15.2 1.8 69 71 A S S S- 0 0 17 3,-0.9 3,-0.4 -3,-0.1 -17,-0.1 -0.885 85.8 -94.7-149.5 168.7 26.6 18.0 -0.6 70 72 A Q S S+ 0 0 13 -2,-0.3 -42,-0.0 1,-0.2 3,-0.0 0.751 123.2 43.9 -55.6 -31.4 27.3 21.8 -1.0 71 73 A E S S+ 0 0 71 -44,-0.1 -47,-2.4 1,-0.1 2,-0.4 0.635 105.2 67.3 -96.0 -13.4 24.1 22.7 0.7 72 74 A Q B +B 23 0A 41 -3,-0.4 -3,-0.9 -49,-0.2 2,-0.4 -0.916 44.9 167.8-121.7 134.0 24.0 20.3 3.6 73 75 A F - 0 0 0 -51,-2.0 2,-0.3 -2,-0.4 -6,-0.2 -0.938 15.8-167.2-141.2 114.7 26.2 20.0 6.7 74 76 A S E - J 0 66C 17 -8,-3.0 -8,-1.8 -2,-0.4 2,-0.5 -0.775 14.2-144.9-115.5 146.5 25.3 17.8 9.6 75 77 A L E -IJ 20 65C 0 -55,-2.8 -55,-3.2 -2,-0.3 2,-0.5 -0.918 19.0-157.8-105.7 132.9 26.5 17.5 13.2 76 78 A I E -IJ 19 64C 20 -12,-3.2 -12,-2.6 -2,-0.5 2,-0.8 -0.950 16.4-170.7-122.4 119.2 26.6 14.0 14.7 77 79 A L E -I 18 0C 0 -59,-3.9 -59,-2.5 -2,-0.5 3,-0.4 -0.934 9.7-172.2-102.8 101.1 26.6 13.2 18.4 78 80 A E S S+ 0 0 84 -2,-0.8 2,-0.5 -16,-0.5 -1,-0.2 0.968 81.2 15.7 -60.2 -54.7 27.2 9.4 18.2 79 81 A S S S- 0 0 75 -17,-0.3 -1,-0.3 -3,-0.1 -62,-0.2 -0.915 90.5-136.8-123.5 101.4 26.6 8.9 22.0 80 82 A A - 0 0 0 -64,-2.6 -65,-2.7 -2,-0.5 -64,-0.2 -0.333 22.0-171.7 -63.3 124.6 24.8 11.9 23.5 81 83 A T > - 0 0 53 -67,-0.2 3,-1.6 -2,-0.1 27,-0.1 -0.806 35.3-114.5-108.0 160.5 26.1 13.1 26.9 82 84 A P G > S+ 0 0 75 0, 0.0 3,-1.1 0, 0.0 26,-0.3 0.673 113.0 68.2 -62.5 -19.7 24.5 15.8 29.2 83 85 A S G 3 S+ 0 0 84 1,-0.2 -3,-0.0 24,-0.1 24,-0.0 0.621 90.2 64.6 -72.8 -10.1 27.5 18.1 28.7 84 86 A Q G < S+ 0 0 7 -3,-1.6 2,-0.4 24,-0.1 -1,-0.2 0.404 73.2 119.3 -94.2 -2.6 26.3 18.4 25.0 85 87 A T < + 0 0 60 -3,-1.1 2,-0.3 23,-0.2 22,-0.2 -0.536 47.8 83.6 -60.0 117.6 23.2 20.2 26.4 86 88 A S E S- G 0 106B 20 20,-2.0 20,-2.7 -2,-0.4 2,-0.4 -0.968 81.5 -57.5 173.6-164.7 23.2 23.7 24.8 87 89 A V E -DG 36 105B 25 -51,-0.8 -51,-3.3 -2,-0.3 2,-0.4 -0.875 43.3-156.3-106.7 134.7 22.3 25.7 21.8 88 90 A Y E -DG 35 104B 0 16,-2.8 16,-2.0 -2,-0.4 2,-0.5 -0.920 4.9-163.8-114.0 127.7 23.7 24.8 18.4 89 91 A F E -D 34 0B 36 -55,-2.5 -55,-2.6 -2,-0.4 2,-0.3 -0.956 5.8-155.8-119.3 121.5 24.1 27.2 15.5 90 92 A a E -D 33 0B 0 -2,-0.5 11,-2.7 -57,-0.2 2,-0.3 -0.684 18.5-174.8 -79.8 141.1 24.7 26.3 11.9 91 93 A A E -DH 32 100B 0 -59,-2.1 -59,-2.6 -2,-0.3 2,-0.4 -0.977 14.9-161.3-135.1 153.1 26.4 29.0 9.7 92 94 A S E +DH 31 99B 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