==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (TOXIN/RECEPTOR) 22-OCT-96 1JCK . COMPND 2 MOLECULE: 14.3.D T CELL ANTIGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.A.FIELDS,R.A.MARIUZZA . 954 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 278 29.1 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 . 102 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 6.3 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 4 0 0 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 9 4 14 2 8 6 10 0 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 . 2 2 4 6 0 0 0 0 0 0 0 0 1 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 3 A A 0 0 73 0, 0.0 24,-0.4 0, 0.0 23,-0.3 0.000 360.0 360.0 360.0 179.5 33.8 14.2 26.1 2 4 A V - 0 0 11 21,-0.2 21,-0.2 22,-0.1 87,-0.1 -0.695 360.0-167.7-159.3 95.5 35.1 10.7 25.9 3 5 A T E -A 22 0A 62 19,-1.3 19,-0.8 -2,-0.2 2,-0.3 -0.339 3.0-153.4 -84.2 171.7 36.5 9.8 22.6 4 6 A Q E -A 21 0A 12 17,-0.2 17,-0.2 -2,-0.1 3,-0.1 -0.984 8.7-132.4-145.5 154.9 37.5 6.4 21.3 5 7 A S E S+A 20 0A 63 15,-1.6 15,-3.3 -2,-0.3 2,-0.2 -0.891 78.7 22.3-169.6 134.4 39.9 5.1 18.8 6 8 A P - 0 0 34 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.670 66.5-164.8 -74.0 170.5 40.0 3.3 16.5 7 9 A R S S+ 0 0 130 1,-0.3 101,-1.2 -2,-0.2 2,-0.3 0.442 77.1 18.0-100.6 -0.8 36.3 3.5 15.8 8 10 A N E S-d 108 0B 27 99,-0.2 2,-0.4 202,-0.0 -1,-0.3 -0.905 70.5-178.9-165.9 134.3 36.4 0.3 13.6 9 11 A K E -d 109 0B 45 99,-2.8 101,-2.5 -2,-0.3 2,-0.6 -0.982 19.7-165.9-150.6 132.5 38.9 -2.4 13.3 10 12 A V E +d 110 0B 0 -2,-0.4 2,-0.3 200,-0.3 101,-0.2 -0.979 29.3 168.1-111.4 112.6 39.4 -5.6 11.2 11 13 A A E -d 111 0B 8 99,-2.5 101,-1.6 -2,-0.6 2,-0.2 -0.895 29.3-124.2-124.6 157.7 42.1 -7.6 12.9 12 14 A V E > -d 112 0B 54 -2,-0.3 3,-1.7 99,-0.2 101,-0.2 -0.664 39.3 -86.5 -98.6 159.1 43.2 -11.2 12.4 13 15 A T T 3 S+ 0 0 59 99,-1.1 67,-0.2 1,-0.2 -1,-0.1 -0.306 114.9 30.2 -59.7 146.3 43.4 -13.9 15.0 14 16 A G T 3 S+ 0 0 40 65,-3.8 -1,-0.2 1,-0.3 2,-0.2 0.271 94.4 121.4 86.4 -12.4 46.7 -13.9 16.9 15 17 A G < - 0 0 23 -3,-1.7 64,-3.1 64,-0.2 2,-0.5 -0.517 63.8-123.1 -86.8 155.1 47.2 -10.2 16.4 16 18 A K - 0 0 127 62,-0.2 2,-0.3 -2,-0.2 61,-0.2 -0.818 31.0-170.7 -96.8 127.5 47.6 -7.7 19.2 17 19 A V E - B 0 76A 7 59,-2.7 59,-2.8 -2,-0.5 2,-0.4 -0.895 8.6-165.3-118.8 154.0 45.0 -4.9 19.2 18 20 A T E - B 0 75A 58 -2,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.991 2.4-171.3-142.5 126.6 44.9 -1.7 21.2 19 21 A L E - B 0 74A 0 55,-1.7 55,-1.2 -2,-0.4 2,-0.2 -0.985 13.7-155.6-118.4 127.1 41.9 0.6 21.6 20 22 A S E -AB 5 73A 32 -15,-3.3 -15,-1.6 -2,-0.5 2,-0.3 -0.606 6.3-162.9-100.6 165.2 42.4 4.0 23.4 21 23 A a E -AB 4 72A 0 51,-0.7 51,-1.4 -17,-0.2 2,-0.3 -0.934 4.0-162.7-150.6 122.4 39.8 6.2 25.2 22 24 A Q E -AB 3 71A 67 -19,-0.8 -19,-1.3 -2,-0.3 2,-0.4 -0.836 0.6-162.5-108.8 146.3 40.3 9.8 26.1 23 25 A Q > - 0 0 1 47,-1.1 3,-1.0 -2,-0.3 4,-0.2 -0.842 14.4-177.4-135.8 103.9 38.3 11.8 28.6 24 26 A T T 3 S+ 0 0 108 -2,-0.4 -22,-0.1 -23,-0.3 -1,-0.1 0.203 74.1 81.9 -80.3 20.1 38.2 15.6 28.7 25 27 A N T 3 S- 0 0 40 -24,-0.4 -1,-0.2 45,-0.1 -23,-0.1 0.430 96.6-125.3-102.0 -5.1 36.0 15.6 31.9 26 28 A N < + 0 0 69 -3,-1.0 -2,-0.1 1,-0.2 2,-0.1 0.839 50.2 167.7 61.7 36.3 38.8 15.1 34.4 27 29 A H - 0 0 42 -4,-0.2 -1,-0.2 1,-0.1 66,-0.1 -0.408 38.1-142.0 -79.4 156.7 37.1 12.0 35.8 28 30 A N S S+ 0 0 19 64,-0.3 -1,-0.1 -2,-0.1 2,-0.1 0.922 80.7 55.8 -80.5 -54.2 38.9 9.6 38.1 29 31 A N E +E 92 0B 18 63,-1.0 63,-0.6 19,-0.1 2,-0.3 -0.415 56.6 179.5 -84.2 157.9 37.4 6.4 36.8 30 32 A M E -EF 91 47B 0 17,-0.9 17,-2.0 61,-0.2 2,-0.3 -0.952 11.1-157.6-150.2 148.8 37.3 4.9 33.3 31 33 A Y E -EF 90 46B 0 59,-2.3 59,-2.0 -2,-0.3 2,-0.6 -0.991 12.4-149.8-137.1 146.6 35.8 1.7 32.2 32 34 A W E +EF 89 45B 0 13,-2.5 12,-2.4 -2,-0.3 13,-0.9 -0.910 29.1 171.2-120.5 100.7 36.3 -0.7 29.3 33 35 A Y E -EF 88 43B 2 55,-3.3 55,-1.4 -2,-0.6 2,-0.4 -0.583 22.5-151.7-103.1 165.8 33.1 -2.5 28.4 34 36 A R E -EF 87 42B 30 8,-2.2 8,-1.6 53,-0.3 2,-0.5 -0.963 8.2-153.0-143.3 116.4 32.1 -4.8 25.5 35 37 A Q E -EF 86 41B 27 51,-3.0 51,-1.5 -2,-0.4 2,-0.4 -0.791 16.1-165.4 -88.9 129.7 28.5 -5.0 24.3 36 38 A D > - 0 0 20 4,-1.5 3,-2.0 -2,-0.5 49,-0.1 -0.973 27.8-109.0-124.6 132.6 27.6 -8.3 22.7 37 39 A T T 3 S+ 0 0 120 -2,-0.4 3,-0.1 1,-0.3 0, 0.0 -0.275 111.0 14.7 -54.0 120.7 24.6 -9.2 20.5 38 40 A G T 3 S+ 0 0 50 1,-0.4 -1,-0.3 0, 0.0 2,-0.2 -0.087 125.6 63.5 104.4 -37.9 22.5 -11.4 22.7 39 41 A H S < S- 0 0 103 -3,-2.0 -1,-0.4 1,-0.2 497,-0.1 -0.406 85.0-111.6-104.1-173.2 24.4 -10.5 25.9 40 42 A G - 0 0 4 -2,-0.2 -4,-1.5 -3,-0.1 2,-0.7 -0.084 46.4 -57.7-107.2-156.9 24.6 -7.1 27.5 41 43 A L E -FG 35 520B 1 479,-1.8 479,-1.8 -6,-0.2 2,-0.4 -0.833 62.9-166.6 -85.4 116.3 27.1 -4.4 28.2 42 44 A R E -F 34 0B 48 -8,-1.6 -8,-2.2 -2,-0.7 2,-0.6 -0.915 18.5-126.4-115.9 142.8 29.8 -6.1 30.2 43 45 A L E +F 33 0B 8 -2,-0.4 15,-2.6 -10,-0.2 14,-0.4 -0.786 27.0 171.7 -88.7 121.6 32.7 -4.7 32.2 44 46 A I E - 0 0 0 -12,-2.4 12,-2.9 -2,-0.6 2,-0.3 0.923 65.8 -18.5 -91.6 -56.6 36.1 -6.0 31.3 45 47 A H E -FH 32 55B 2 -13,-0.9 -13,-2.5 10,-0.3 -1,-0.4 -0.967 60.2-176.8-150.8 153.6 38.5 -3.7 33.4 46 48 A Y E -FH 31 54B 12 8,-2.3 8,-2.0 -2,-0.3 2,-0.4 -0.937 11.2-144.6-147.3 171.0 38.2 -0.3 35.1 47 49 A S E -F 30 0B 0 -17,-2.0 -17,-0.9 -2,-0.3 6,-0.1 -0.986 14.1-157.6-151.0 135.4 40.5 2.1 37.0 48 50 A Y S S- 0 0 67 -2,-0.4 2,-0.2 1,-0.2 -19,-0.1 0.407 80.8 -17.6 -86.6 -3.1 40.1 4.5 40.0 49 51 A G S > S- 0 0 1 3,-0.4 3,-0.8 281,-0.1 -1,-0.2 -0.834 93.4 -51.2 169.5 158.1 43.1 6.7 39.0 50 52 A A T 3 S+ 0 0 0 1,-0.2 280,-0.5 -2,-0.2 279,-0.3 -0.129 121.2 25.5 -47.6 124.2 46.2 6.9 36.9 51 53 A G T 3 S+ 0 0 6 15,-2.9 2,-0.3 1,-0.2 -1,-0.2 0.742 104.0 90.1 90.5 29.0 48.4 3.8 37.6 52 54 A S < + 0 0 14 -3,-0.8 -3,-0.4 14,-0.2 2,-0.2 -0.982 41.6 175.2-153.5 134.7 45.7 1.4 38.7 53 55 A T - 0 0 14 -2,-0.3 -6,-0.2 206,-0.2 2,-0.2 -0.735 11.5-163.7-150.4 104.2 43.5 -1.1 36.7 54 56 A E E -H 46 0B 53 -8,-2.0 -8,-2.3 -2,-0.2 2,-0.2 -0.491 27.9-106.5 -87.2 149.6 41.2 -3.5 38.4 55 57 A K E -H 45 0B 77 -10,-0.2 -10,-0.3 -2,-0.2 2,-0.1 -0.518 35.7-159.9 -72.3 137.3 39.6 -6.6 36.8 56 58 A G - 0 0 10 -12,-2.9 -12,-0.2 -2,-0.2 -1,-0.1 -0.181 47.9 -62.0 -98.9-159.1 35.9 -6.2 35.9 57 59 A D S S+ 0 0 58 -14,-0.4 -13,-0.2 1,-0.3 -2,-0.1 0.921 132.7 24.7 -53.0 -49.2 33.3 -8.9 35.3 58 60 A I + 0 0 37 -15,-2.6 -1,-0.3 1,-0.1 4,-0.1 -0.754 66.7 147.1-125.5 86.5 35.2 -10.2 32.3 59 61 A P > + 0 0 18 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.812 32.8 124.7 -83.6 -35.8 39.0 -9.5 32.4 60 62 A D T 3 S+ 0 0 140 1,-0.3 3,-0.1 -16,-0.0 -2,-0.0 0.133 81.0 6.8 -32.1 126.5 40.1 -12.6 30.6 61 63 A G T 3 S+ 0 0 57 1,-0.2 16,-0.9 15,-0.0 2,-0.3 0.078 112.0 95.6 86.2 -27.2 42.2 -12.0 27.5 62 65 A Y E < -C 76 0A 11 -3,-2.4 2,-0.3 14,-0.2 14,-0.2 -0.772 47.8-172.7-104.5 148.7 42.4 -8.2 28.0 63 66 A K E -C 75 0A 48 12,-2.4 12,-2.9 -2,-0.3 2,-0.3 -0.711 13.8-168.6-119.0 170.7 45.0 -6.1 29.7 64 67 A A E -C 74 0A 13 10,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.959 6.5-154.6-156.3 164.8 44.4 -2.4 30.3 65 68 A S E -C 73 0A 38 8,-0.8 8,-2.1 -2,-0.3 3,-0.1 -0.994 16.3-165.4-150.1 144.6 46.4 0.6 31.3 66 69 A R + 0 0 6 -2,-0.3 -15,-2.9 6,-0.2 -14,-0.2 -0.707 29.4 155.7-127.7 70.7 45.7 3.9 33.0 67 70 A P S S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.760 70.9 17.6 -67.2 -31.8 49.0 5.6 32.1 68 71 A S S S- 0 0 23 3,-0.9 -17,-0.2 -3,-0.1 -19,-0.1 -0.770 83.5-112.1-131.9 174.4 47.6 9.1 32.4 69 72 A Q S S+ 0 0 2 -2,-0.3 -1,-0.1 1,-0.2 -42,-0.1 0.871 117.9 49.6 -79.6 -33.5 44.4 10.3 34.0 70 73 A E S S+ 0 0 75 -48,-0.1 -47,-1.1 -44,-0.1 2,-0.4 0.763 107.9 61.4 -74.1 -26.1 42.9 11.1 30.6 71 74 A Q E +B 22 0A 55 -49,-0.2 -3,-0.9 -51,-0.1 2,-0.4 -0.878 45.5 168.3-115.7 143.2 43.7 7.8 29.0 72 75 A F E -B 21 0A 0 -51,-1.4 -51,-0.7 -2,-0.4 2,-0.4 -0.983 18.3-168.3-140.9 128.3 42.7 4.2 29.7 73 76 A S E -BC 20 65A 3 -8,-2.1 -8,-0.8 -2,-0.4 2,-0.4 -0.970 13.7-145.5-132.2 124.8 43.5 1.7 27.0 74 77 A L E -BC 19 64A 0 -55,-1.2 -55,-1.7 -2,-0.4 2,-0.5 -0.686 19.0-152.7 -86.7 127.4 42.3 -1.9 26.7 75 78 A I E -BC 18 63A 32 -12,-2.9 -12,-2.4 -2,-0.4 2,-0.7 -0.887 12.8-165.7-111.4 129.1 44.9 -4.3 25.2 76 79 A L E +BC 17 62A 0 -59,-2.8 -59,-2.7 -2,-0.5 3,-0.5 -0.928 10.2 179.3-108.5 101.5 44.1 -7.5 23.3 77 80 A E S S+ 0 0 65 -16,-0.9 2,-0.8 -2,-0.7 -1,-0.2 0.979 79.6 22.5 -67.9 -61.3 47.3 -9.5 23.1 78 81 A L S S- 0 0 112 -17,-0.3 -1,-0.3 -62,-0.1 -62,-0.2 -0.737 87.0-153.2-109.6 78.3 46.2 -12.6 21.2 79 82 A A + 0 0 0 -64,-3.1 -65,-3.8 -2,-0.8 -64,-0.2 -0.237 22.0 179.1 -51.2 133.3 43.2 -11.3 19.4 80 83 A T > - 0 0 40 -67,-0.2 3,-1.2 -66,-0.1 31,-0.2 -0.837 46.1 -97.2-131.8 173.3 40.9 -14.2 18.8 81 84 A P G > S+ 0 0 74 0, 0.0 3,-2.5 0, 0.0 30,-0.4 0.932 117.4 68.9 -57.9 -41.4 37.5 -14.7 17.2 82 85 A S G 3 S+ 0 0 93 1,-0.3 -3,-0.1 -3,-0.0 0, 0.0 0.723 90.3 61.3 -48.6 -29.1 35.9 -14.5 20.7 83 86 A Q G < + 0 0 16 -3,-1.2 2,-0.8 28,-0.1 -1,-0.3 0.298 69.0 123.5 -87.7 11.0 36.8 -10.8 21.0 84 87 A T < + 0 0 55 -3,-2.5 2,-0.3 27,-0.2 26,-0.2 -0.649 46.3 99.4 -73.3 109.2 34.6 -9.9 18.1 85 88 A S E S- I 0 109B 12 24,-1.4 24,-2.2 -2,-0.8 2,-0.5 -0.874 77.2 -79.6-167.0-166.9 32.3 -7.4 19.7 86 89 A V E -EI 35 108B 47 -51,-1.5 -51,-3.0 -2,-0.3 2,-0.5 -0.972 39.4-145.9-121.2 115.5 31.7 -3.6 20.2 87 90 A Y E -EI 34 107B 0 20,-2.5 20,-2.0 -2,-0.5 2,-0.4 -0.691 13.4-171.6 -91.2 122.3 33.8 -1.9 22.8 88 91 A F E -E 33 0B 9 -55,-1.4 -55,-3.3 -2,-0.5 2,-0.4 -0.921 5.7-160.1-110.1 133.9 32.3 0.9 24.9 89 92 A a E -E 32 0B 0 -2,-0.4 15,-2.0 -57,-0.2 2,-0.4 -0.901 8.7-165.9-111.8 140.6 34.5 3.0 27.1 90 93 A A E -EJ 31 103B 0 -59,-2.0 -59,-2.3 -2,-0.4 13,-0.2 -0.993 6.7-171.3-132.3 138.4 32.9 5.1 30.0 91 94 A S E +EJ 30 102B 0 11,-2.5 11,-1.3 -2,-0.4 2,-0.3 -0.300 46.9 54.8-106.4-168.3 34.4 7.8 32.1 92 95 A G E S+EJ 29 101B 3 -63,-0.6 -63,-1.0 9,-0.3 -64,-0.3 -0.580 81.5 13.0 96.4-149.1 32.8 9.4 35.1 93 96 A G S S- 0 0 17 7,-1.3 4,-0.1 -2,-0.3 9,-0.1 0.015 87.5 -42.7 -68.0-177.3 31.4 8.1 38.4 94 97 A G > - 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