==== 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 3BYT . COMPND 2 MOLECULE: T CELL RECEPTOR BETA CHAIN 8.2; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.CHO,J.S.ERIC . 1365 12 8 4 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 870 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 376 27.5 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 . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 121 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 8.3 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 3 2 0 6 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 5 7 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 . 18 4 20 14 7 3 8 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 . 5 9 0 9 0 0 0 0 0 0 0 0 1 1 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 72 0, 0.0 3,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 80.0 3.1 15.1 -26.0 2 3 A A + 0 0 19 1,-0.2 23,-0.8 368,-0.2 24,-0.5 0.640 360.0 22.8 -69.4 -28.9 3.2 16.0 -22.3 3 4 A V E S-A 24 0A 14 97,-0.2 2,-0.5 21,-0.2 99,-0.5 -0.895 71.2-165.3-143.0 120.2 -0.2 14.4 -21.4 4 5 A T E -A 23 0A 63 19,-2.9 19,-1.7 -2,-0.3 2,-0.4 -0.882 4.7-159.9-110.1 116.4 -1.9 11.6 -23.6 5 6 A Q E -A 22 0A 13 -2,-0.5 3,-0.2 17,-0.2 17,-0.2 -0.808 15.8-131.6-103.9 133.3 -5.6 10.6 -23.1 6 7 A S E S+A 21 0A 48 15,-1.3 15,-1.2 -2,-0.4 2,-0.1 -0.989 79.2 10.0-144.5 127.3 -7.1 7.2 -24.3 7 8 A P - 0 0 53 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.620 67.8-159.1 -83.2 152.3 -9.5 6.6 -25.9 8 9 A R S S+ 0 0 113 -3,-0.2 97,-2.6 1,-0.2 2,-0.4 0.790 86.2 28.9 -66.6 -18.9 -10.3 10.1 -27.0 9 10 A N E S+c 105 0B 100 95,-0.2 2,-0.4 78,-0.0 97,-0.2 -0.995 74.1 176.6-137.4 129.1 -13.9 8.9 -27.6 10 11 A K E -c 106 0B 61 95,-2.2 97,-1.7 -2,-0.4 2,-0.5 -1.000 17.4-159.7-133.0 140.9 -15.6 6.0 -25.7 11 12 A V E +c 107 0B 81 -2,-0.4 97,-0.2 95,-0.2 2,-0.1 -0.853 24.3 176.3-117.2 99.7 -19.2 4.5 -25.9 12 13 A A E -c 108 0B 0 95,-1.6 97,-2.2 -2,-0.5 2,-0.3 -0.423 26.0-119.7-100.0 169.3 -20.1 2.5 -22.7 13 14 A V > - 0 0 82 95,-0.2 3,-1.1 -2,-0.1 67,-0.2 -0.852 42.5 -88.2-106.3 144.0 -23.2 0.8 -21.5 14 15 A T T 3 S+ 0 0 78 95,-1.1 67,-0.2 -2,-0.3 66,-0.1 -0.210 113.6 16.0 -55.6 128.3 -25.1 1.6 -18.2 15 16 A G T 3 S+ 0 0 42 65,-3.6 2,-0.3 1,-0.3 -1,-0.2 0.810 93.9 131.6 81.0 32.2 -23.6 -0.3 -15.3 16 17 A E < - 0 0 67 -3,-1.1 64,-1.8 64,-0.0 -1,-0.3 -0.908 65.1-110.4-116.8 140.4 -20.3 -1.3 -17.0 17 18 A K - 0 0 154 -2,-0.3 2,-0.3 62,-0.2 61,-0.2 -0.469 42.4-171.3 -76.3 131.1 -16.9 -0.9 -15.5 18 19 A V E -P 77 0C 4 59,-2.0 59,-2.2 -2,-0.2 2,-0.4 -0.959 10.2-170.1-128.1 136.9 -15.0 1.9 -17.6 19 20 A T E -P 76 0C 68 -2,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.999 4.6-168.5-131.5 133.9 -11.4 2.9 -17.4 20 21 A L E -P 75 0C 0 55,-2.2 55,-1.7 -2,-0.4 -2,-0.0 -0.938 18.2-149.1-127.4 104.2 -9.8 6.0 -19.0 21 22 A S E -A 6 0A 37 -15,-1.2 -15,-1.3 -2,-0.5 2,-0.3 -0.274 9.2-163.0 -70.7 159.2 -6.0 6.1 -19.0 22 23 A a E -A 5 0A 0 -17,-0.2 51,-1.4 51,-0.1 2,-0.4 -0.966 2.0-165.5-142.3 122.4 -3.6 9.1 -18.8 23 24 A Q E -AB 4 72A 58 -19,-1.7 -19,-2.9 -2,-0.3 2,-0.4 -0.966 2.5-171.2-110.0 132.5 0.2 9.2 -19.7 24 25 A Q E -A 3 0A 2 47,-1.2 3,-0.3 -2,-0.4 -21,-0.2 -0.947 10.7-163.4-118.5 142.6 2.5 12.0 -18.8 25 26 A T S S+ 0 0 41 -23,-0.8 -23,-0.1 -2,-0.4 -22,-0.1 0.670 80.6 67.0-104.0 -20.9 6.1 12.2 -20.1 26 27 A N S S- 0 0 28 -24,-0.5 -1,-0.2 319,-0.2 320,-0.1 0.355 96.1-128.1 -73.4 -1.7 7.6 14.7 -17.7 27 28 A N + 0 0 44 -3,-0.3 44,-0.1 1,-0.1 -2,-0.1 0.812 40.7 176.9 51.9 37.6 7.4 12.5 -14.6 28 29 A H - 0 0 29 1,-0.1 -1,-0.1 2,-0.1 66,-0.1 -0.350 33.4-131.5 -65.8 148.5 5.6 15.1 -12.4 29 30 A N S S+ 0 0 98 64,-0.2 2,-0.2 65,-0.2 -1,-0.1 0.958 87.0 58.0 -64.4 -44.8 4.6 14.0 -9.0 30 31 A N E +D 93 0B 39 63,-0.9 63,-2.3 19,-0.2 2,-0.3 -0.578 59.1 177.7 -95.2 142.3 1.0 15.2 -9.1 31 32 A M E -DE 92 48B 0 17,-1.5 17,-1.7 61,-0.2 2,-0.3 -0.940 9.7-161.2-133.5 149.4 -1.7 14.1 -11.8 32 33 A Y E -DE 91 47B 33 59,-2.5 59,-0.9 -2,-0.3 2,-0.4 -0.923 11.2-156.6-133.5 155.3 -5.4 15.2 -11.9 33 34 A W E +DE 90 46B 0 13,-1.1 12,-2.8 -2,-0.3 13,-1.1 -0.986 24.5 168.1-132.0 121.2 -8.6 13.9 -13.6 34 35 A Y E -DE 89 44B 29 55,-4.2 55,-1.7 -2,-0.4 2,-0.4 -0.754 27.9-134.5-117.9 173.2 -11.4 16.4 -14.2 35 36 A R E -DE 88 43B 20 8,-1.5 8,-1.1 53,-0.3 2,-0.3 -0.903 15.9-140.8-132.7 116.3 -14.6 16.4 -16.2 36 37 A Q E +D 87 0B 76 51,-1.3 51,-0.9 -2,-0.4 2,-0.3 -0.472 27.3 168.6 -65.7 121.9 -15.6 19.4 -18.4 37 38 A D >> - 0 0 30 4,-0.4 3,-2.1 -2,-0.3 4,-0.7 -0.999 44.5 -93.7-138.1 143.4 -19.3 20.4 -18.4 38 39 A T T 34 S+ 0 0 141 -2,-0.3 4,-0.0 1,-0.3 1055,-0.0 -0.185 115.4 7.0 -52.0 136.7 -21.0 23.5 -19.9 39 40 A G T 34 S+ 0 0 56 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.230 119.7 82.4 73.4 -17.4 -21.3 26.2 -17.1 40 41 A H T <4 S- 0 0 74 -3,-2.1 2,-1.6 1,-0.2 -2,-0.2 0.487 73.6-161.9 -99.3 -6.9 -19.2 23.8 -14.9 41 42 A G < - 0 0 20 -4,-0.7 -4,-0.4 1,-0.1 2,-0.3 -0.424 61.5 -35.7 62.4 -92.1 -15.8 24.8 -16.2 42 43 A L - 0 0 49 -2,-1.6 2,-0.3 1035,-0.3 -6,-0.2 -0.849 61.0-159.2-169.2 107.8 -13.8 21.8 -15.0 43 44 A R E -E 35 0B 47 -8,-1.1 -8,-1.5 -2,-0.3 2,-0.4 -0.821 20.2-121.4-104.1 153.8 -14.4 19.9 -11.8 44 45 A L E +E 34 0B 29 -2,-0.3 15,-1.6 -10,-0.2 14,-1.3 -0.727 27.8 175.3 -98.1 129.9 -11.8 17.7 -10.0 45 46 A I E - 0 0 0 -12,-2.8 12,-1.9 1,-0.4 2,-0.3 0.842 66.9 -17.7-100.5 -49.2 -12.7 14.1 -9.5 46 47 A H E -EF 33 56B 0 -13,-1.1 -13,-1.1 10,-0.2 -1,-0.4 -0.976 60.4-171.7-155.8 147.2 -9.6 12.5 -8.1 47 48 A Y E -EF 32 55B 53 8,-2.2 8,-3.6 -2,-0.3 2,-0.3 -0.781 8.9-148.8-132.0 178.1 -5.9 13.6 -8.0 48 49 A S E -E 31 0B 0 -17,-1.7 -17,-1.5 6,-0.3 6,-0.1 -0.971 14.9-159.5-154.8 132.7 -2.6 11.8 -6.9 49 50 A Y S S- 0 0 103 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 0.242 75.3 -20.1 -89.6 14.4 0.7 12.9 -5.4 50 51 A G S > S- 0 0 3 3,-0.2 3,-1.4 150,-0.1 2,-0.2 -0.959 92.7 -47.0 166.6 168.2 2.8 9.9 -6.4 51 52 A A T 3 S+ 0 0 2 -2,-0.3 148,-0.5 1,-0.2 149,-0.5 -0.420 129.1 18.1 -57.4 125.1 2.9 6.2 -7.4 52 53 A G T 3 S+ 0 0 4 15,-1.9 -1,-0.2 1,-0.3 2,-0.2 0.244 103.8 103.1 102.8 -33.1 0.5 4.6 -5.0 53 54 A S < + 0 0 7 -3,-1.4 -1,-0.3 14,-0.1 2,-0.3 -0.545 37.5 165.9 -91.7 167.2 -1.3 7.7 -3.8 54 55 A T - 0 0 8 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.3 -0.843 14.1-163.8-176.2 130.3 -4.8 8.8 -5.0 55 56 A E E -F 47 0B 25 -8,-3.6 -8,-2.2 -2,-0.3 73,-0.0 -0.990 24.3-111.4-136.1 143.8 -7.0 11.4 -3.3 56 57 A K E -F 46 0B 57 -2,-0.4 -10,-0.2 -10,-0.2 2,-0.1 -0.405 35.1-168.8 -63.2 137.0 -10.7 12.4 -3.5 57 58 A G - 0 0 20 -12,-1.9 -12,-0.2 -13,-0.1 -1,-0.1 0.027 49.3 -63.5-102.0-134.6 -11.2 15.8 -5.2 58 59 A D S S+ 0 0 64 -14,-1.3 -13,-0.2 1,-0.3 3,-0.1 0.759 129.9 27.0 -96.1 -29.2 -14.5 17.7 -5.1 59 60 A I + 0 0 32 -15,-1.6 -1,-0.3 1,-0.1 -13,-0.1 -0.510 69.7 142.8-127.9 64.1 -16.8 15.2 -7.0 60 61 A P > + 0 0 21 0, 0.0 3,-2.3 0, 0.0 -15,-0.1 0.673 31.8 121.4 -83.3 -12.9 -15.3 11.7 -6.4 61 62 A D T 3 S+ 0 0 133 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.185 77.5 16.8 -58.1 132.1 -18.6 9.8 -6.2 62 63 A G T 3 S+ 0 0 31 1,-0.2 16,-1.0 18,-0.0 17,-0.4 0.280 113.9 89.6 89.7 -6.3 -19.1 7.0 -8.7 63 64 A Y E < -Q 77 0C 13 -3,-2.3 14,-0.2 14,-0.2 2,-0.2 -0.947 49.3-170.8-130.1 151.0 -15.4 6.9 -9.5 64 65 A K E -Q 76 0C 63 12,-3.0 12,-2.2 -2,-0.4 2,-0.3 -0.576 16.0-156.6-119.3 179.2 -12.2 5.2 -8.4 65 66 A A E -Q 75 0C 8 10,-0.2 2,-0.3 -2,-0.2 10,-0.2 -0.957 2.9-154.5-150.9 169.0 -8.6 6.1 -9.5 66 67 A S E -Q 74 0C 49 8,-1.6 8,-1.7 -2,-0.3 3,-0.2 -0.858 14.7-167.4-163.4 120.9 -5.2 4.5 -9.8 67 68 A R + 0 0 8 -2,-0.3 -15,-1.9 -14,-0.2 6,-0.2 -0.704 22.0 160.8 -98.2 78.6 -1.5 5.5 -9.9 68 69 A P S S- 0 0 42 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.876 71.7 -4.2 -62.9 -37.7 0.3 2.3 -11.0 69 70 A S S S- 0 0 12 3,-0.9 -17,-0.1 -3,-0.2 -19,-0.1 -0.793 83.2 -90.4-145.1 177.8 3.5 4.3 -12.1 70 71 A Q S S+ 0 0 23 -2,-0.2 -42,-0.1 1,-0.2 -46,-0.0 0.837 125.6 43.5 -68.9 -27.0 4.7 8.0 -12.3 71 72 A E S S+ 0 0 77 -44,-0.1 -47,-1.2 -48,-0.1 2,-0.4 0.845 105.3 66.2 -83.1 -44.4 3.4 8.2 -15.9 72 73 A Q B +B 23 0A 39 -49,-0.2 -3,-0.9 -51,-0.1 2,-0.3 -0.764 45.6 159.4 -92.9 127.6 0.1 6.5 -15.6 73 74 A F - 0 0 0 -51,-1.4 2,-0.3 -2,-0.4 -6,-0.2 -0.921 21.3-173.9-138.2 119.3 -2.9 7.8 -13.6 74 75 A S E - Q 0 66C 10 -8,-1.7 -8,-1.6 -2,-0.3 2,-0.3 -0.841 19.3-139.5-122.6 155.4 -6.3 6.4 -14.6 75 76 A L E -PQ 20 65C 0 -55,-1.7 -55,-2.2 -2,-0.3 2,-0.4 -0.875 18.8-164.4-111.8 146.8 -10.0 7.1 -13.7 76 77 A I E -PQ 19 64C 24 -12,-2.2 -12,-3.0 -2,-0.3 2,-0.7 -0.977 14.9-153.7-136.6 137.5 -12.4 4.3 -13.2 77 78 A L E -PQ 18 63C 0 -59,-2.2 -59,-2.0 -2,-0.4 3,-0.4 -0.940 12.5-154.7-111.1 112.1 -16.2 4.2 -13.2 78 79 A E S S+ 0 0 105 -16,-1.0 2,-0.3 -2,-0.7 -1,-0.2 0.893 86.2 2.7 -58.2 -41.3 -17.2 1.3 -11.1 79 80 A S S S- 0 0 68 -17,-0.4 -1,-0.3 -62,-0.1 -62,-0.2 -0.830 89.7-126.9-148.7 99.1 -20.5 1.0 -12.8 80 81 A A - 0 0 1 -64,-1.8 -65,-3.6 -3,-0.4 -63,-0.1 -0.098 27.7-170.2 -57.7 149.9 -21.1 3.5 -15.5 81 82 A T > - 0 0 48 -67,-0.2 3,-1.7 -66,-0.1 4,-0.2 -0.961 36.4-114.0-137.8 145.0 -24.3 5.7 -15.3 82 83 A P G > S+ 0 0 67 0, 0.0 3,-1.3 0, 0.0 26,-0.3 0.810 117.8 62.7 -43.5 -39.0 -25.9 8.1 -17.9 83 84 A S G 3 S+ 0 0 87 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.739 95.8 59.7 -52.5 -34.9 -25.1 11.0 -15.4 84 85 A Q G < S+ 0 0 10 -3,-1.7 2,-0.7 2,-0.1 -1,-0.2 0.392 75.2 115.7 -82.6 -4.3 -21.3 10.1 -15.9 85 86 A T < + 0 0 55 -3,-1.3 2,-0.2 -4,-0.2 22,-0.2 -0.680 46.1 105.3 -68.8 111.2 -21.7 10.9 -19.6 86 87 A S E S- G 0 106B 11 -2,-0.7 20,-2.7 20,-0.5 2,-0.3 -0.719 75.1 -80.6-164.4-163.1 -19.4 14.0 -20.0 87 88 A V E -DG 36 105B 41 -51,-0.9 -51,-1.3 18,-0.2 2,-0.4 -0.968 45.2-148.8-123.2 132.9 -15.8 15.0 -21.5 88 89 A Y E -DG 35 104B 0 16,-3.4 16,-1.4 -2,-0.3 2,-0.4 -0.895 13.0-170.1-121.9 135.0 -12.9 14.1 -19.2 89 90 A F E -D 34 0B 39 -55,-1.7 -55,-4.2 -2,-0.4 2,-0.3 -0.980 1.9-170.2-124.0 132.7 -9.6 15.9 -18.8 90 91 A a E -D 33 0B 0 -2,-0.4 11,-1.4 -57,-0.3 2,-0.3 -0.881 8.7-171.8-113.0 155.4 -6.5 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