==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECEPTOR 12-SEP-96 1TCR . COMPND 2 MOLECULE: ALPHA, BETA T-CELL RECEPTOR (VB8.2DB2JB2.4CB2\;VA . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.C.GARCIA,M.DEGANO,R.L.STANFIELD,I.A.WILSON . 439 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 49 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 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 RESIDUES PER ALPHA HELIX . 1 0 0 0 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 . 3 3 11 3 2 2 4 1 0 1 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 2 1 1 3 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 1 A Q 0 0 142 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -17.1 47.7 5.9 -1.7 2 2 A S + 0 0 41 98,-0.1 23,-2.7 2,-0.0 2,-0.3 -0.892 360.0 177.6-169.0 133.5 47.3 2.6 0.3 3 3 A V E -A 24 0A 16 98,-0.3 2,-0.4 -2,-0.3 21,-0.3 -0.987 12.7-158.7-136.4 141.9 46.3 1.6 3.9 4 4 A T E -A 23 0A 78 19,-3.9 19,-2.1 -2,-0.3 98,-0.1 -0.969 11.7-174.7-134.3 117.3 45.9 -2.0 5.2 5 5 A Q - 0 0 9 -2,-0.4 17,-0.1 17,-0.2 98,-0.1 -0.941 9.6-165.6-110.7 104.1 43.9 -3.2 8.3 6 6 A P S S+ 0 0 60 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.656 71.9 60.5 -60.1 -30.0 44.6 -7.0 8.7 7 7 A D - 0 0 66 14,-0.3 3,-0.1 1,-0.1 14,-0.1 -0.950 54.7-175.8-111.9 122.0 41.8 -7.6 11.1 8 8 A A S S+ 0 0 73 -2,-0.5 98,-2.5 1,-0.2 2,-0.3 0.693 77.4 29.1 -84.3 -24.2 38.2 -6.9 10.1 9 9 A R E -f 106 0B 151 96,-0.2 2,-0.4 78,-0.0 -1,-0.2 -0.999 58.1-176.0-141.2 140.3 36.8 -7.8 13.5 10 10 A V E -f 107 0B 33 96,-2.1 98,-2.4 -2,-0.3 2,-0.6 -0.931 7.7-165.6-138.9 111.5 38.2 -7.6 17.1 11 11 A T E +f 108 0B 79 -2,-0.4 2,-0.3 96,-0.2 98,-0.2 -0.894 19.0 168.0-100.6 118.6 36.1 -8.9 20.0 12 12 A V E -f 109 0B 15 96,-1.8 98,-2.2 -2,-0.6 2,-0.2 -0.930 32.4-115.5-130.4 152.4 37.4 -7.7 23.3 13 13 A S E > -f 110 0B 47 -2,-0.3 3,-1.6 96,-0.2 67,-0.3 -0.607 42.0 -93.1 -87.1 149.0 36.0 -7.8 26.9 14 14 A E T 3 S+ 0 0 68 96,-2.5 67,-0.2 1,-0.2 -1,-0.1 -0.394 116.6 26.6 -57.2 129.0 35.1 -4.6 28.8 15 15 A G T 3 S+ 0 0 46 65,-2.7 -1,-0.2 1,-0.4 66,-0.1 -0.139 98.6 106.6 105.5 -38.0 38.3 -3.8 30.8 16 16 A A S < S- 0 0 43 -3,-1.6 64,-2.6 63,-0.2 -1,-0.4 -0.231 74.8-102.4 -71.4 162.3 40.7 -5.5 28.5 17 17 A S - 0 0 90 62,-0.2 2,-0.4 -3,-0.1 61,-0.2 -0.462 30.1-147.1 -86.1 161.2 43.1 -3.6 26.3 18 18 A L E +B 77 0A 9 59,-2.3 59,-2.4 -2,-0.1 2,-0.4 -0.988 15.5 178.5-133.8 139.1 42.7 -2.9 22.6 19 19 A Q E -B 76 0A 74 -2,-0.4 2,-0.5 57,-0.2 57,-0.2 -0.996 8.5-165.1-138.0 129.0 45.2 -2.5 19.6 20 20 A L E -B 75 0A 2 55,-2.6 55,-2.4 -2,-0.4 2,-0.3 -0.976 18.1-138.0-116.0 127.4 44.1 -2.0 16.0 21 21 A R - 0 0 84 -2,-0.5 2,-0.4 53,-0.2 -14,-0.3 -0.661 20.7-178.8 -93.1 138.4 46.8 -2.5 13.4 22 22 A a - 0 0 0 -2,-0.3 51,-1.5 -17,-0.1 2,-0.4 -0.987 4.5-176.2-138.5 125.8 47.3 -0.2 10.5 23 23 A K E -AC 4 72A 76 -19,-2.1 -19,-3.9 -2,-0.4 2,-0.3 -0.904 10.9-168.3-117.3 144.1 49.9 -0.6 7.7 24 24 A Y E -A 3 0A 23 47,-1.0 2,-0.5 -2,-0.4 -21,-0.3 -0.989 19.5-156.7-137.3 153.2 50.2 2.1 4.9 25 25 A S + 0 0 75 -23,-2.7 2,-0.4 -2,-0.3 67,-0.0 -0.825 36.7 147.8-128.8 86.6 52.0 2.3 1.5 26 26 A Y - 0 0 40 -2,-0.5 2,-0.9 -25,-0.1 -2,-0.1 -0.978 41.1-145.3-134.8 128.3 52.6 6.0 0.7 27 27 A S S S+ 0 0 113 -2,-0.4 2,-0.4 2,-0.1 -2,-0.0 -0.722 77.1 36.8 -80.7 106.3 55.2 7.8 -1.2 28 28 A A S S- 0 0 51 -2,-0.9 -2,-0.1 2,-0.1 66,-0.0 -0.922 112.4 -55.5 142.5-169.8 55.5 11.0 0.5 29 29 A T - 0 0 109 -2,-0.4 66,-0.4 66,-0.1 -2,-0.1 -0.833 67.0-147.3-110.8 100.6 55.3 12.1 3.7 30 30 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 64,-0.2 -0.162 7.7-138.8 -69.1 155.0 52.1 10.8 4.5 31 31 A Y E -G 93 0B 58 62,-1.1 62,-1.4 269,-0.0 2,-0.4 -0.795 26.9-149.0-101.0 149.3 49.5 12.3 6.9 32 32 A L E +GH 92 49B 1 17,-2.8 17,-2.6 -2,-0.3 2,-0.3 -0.976 19.5 169.4-134.6 137.6 47.8 9.8 9.1 33 33 A F E -GH 91 48B 0 58,-2.4 58,-1.9 -2,-0.4 2,-0.4 -0.892 24.1-150.2-136.2 169.6 44.3 9.5 10.7 34 34 A W E -GH 90 47B 0 13,-1.7 12,-3.0 -2,-0.3 13,-1.6 -0.984 20.1-174.7-140.8 120.6 41.9 7.2 12.6 35 35 A Y E -GH 89 45B 0 54,-2.8 54,-3.3 -2,-0.4 2,-0.3 -0.885 9.2-151.6-113.0 153.6 38.2 7.8 12.1 36 36 A V E -GH 88 44B 4 8,-2.7 8,-2.5 -2,-0.3 2,-0.5 -0.949 0.7-153.7-129.6 147.5 35.4 5.9 14.0 37 37 A Q E -G 87 0B 19 50,-2.4 50,-1.6 -2,-0.3 6,-0.1 -0.952 3.7-157.2-130.5 113.2 31.9 5.1 12.9 38 38 A Y > - 0 0 66 -2,-0.5 3,-2.2 4,-0.5 48,-0.1 -0.463 57.1 -58.7 -80.6 158.5 29.0 4.6 15.3 39 39 A P T 3 S- 0 0 95 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.180 116.4 -14.9 -59.5 120.5 26.2 2.6 14.0 40 40 A R T 3 S+ 0 0 79 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.529 108.9 103.9 63.9 23.4 24.7 4.2 10.9 41 41 A Q S < S- 0 0 84 -3,-2.2 -1,-0.2 1,-0.2 265,-0.1 -0.708 75.9 -87.9-116.1 176.1 26.3 7.7 11.1 42 42 A G - 0 0 8 -2,-0.2 -4,-0.5 1,-0.1 2,-0.3 0.006 57.1 -78.5 -69.1-179.4 29.1 9.3 9.2 43 43 A L - 0 0 7 262,-0.2 261,-0.6 -6,-0.1 2,-0.4 -0.670 39.6-158.3 -87.0 140.5 32.7 9.0 10.3 44 44 A Q E -H 36 0B 81 -8,-2.5 -8,-2.7 -2,-0.3 2,-0.1 -0.952 28.0-110.2-114.7 134.4 34.0 11.2 13.1 45 45 A L E -H 35 0B 51 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.461 31.7-178.1 -65.1 142.5 37.7 11.8 13.4 46 46 A L E - 0 0 24 -12,-3.0 13,-0.7 1,-0.4 2,-0.3 0.764 62.6 -20.4-107.6 -46.6 39.3 10.1 16.4 47 47 A L E -H 34 0B 4 -13,-1.6 -13,-1.7 11,-0.2 -1,-0.4 -0.979 58.2-157.2-164.5 155.1 43.0 11.2 16.1 48 48 A K E -H 33 0B 81 9,-0.4 2,-0.4 -2,-0.3 -15,-0.2 -0.974 6.0-161.9-142.4 157.1 45.5 12.6 13.6 49 49 A Y E +H 32 0B 26 -17,-2.6 -17,-2.8 -2,-0.3 3,-0.1 -0.981 23.0 148.3-141.9 127.9 49.2 13.0 12.8 50 50 A Y - 0 0 73 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.715 67.7 -14.3-120.2 -50.5 51.1 15.4 10.5 51 51 A S S S+ 0 0 100 2,-0.1 2,-0.8 -20,-0.0 -1,-0.4 -0.997 100.1 10.7-159.5 156.2 54.5 16.2 11.9 52 52 A G S S+ 0 0 60 -2,-0.3 -3,-0.0 -3,-0.1 3,-0.0 -0.684 97.3 60.2 87.5-109.2 56.8 16.0 14.9 53 53 A D - 0 0 109 -2,-0.8 -3,-0.1 1,-0.2 -2,-0.1 -0.535 65.6-156.1 -63.9 110.9 55.6 14.0 17.9 54 54 A P S S+ 0 0 56 0, 0.0 12,-3.2 0, 0.0 2,-0.7 0.676 78.1 70.8 -62.3 -21.3 55.2 10.4 16.5 55 55 A V E -D 65 0A 30 10,-0.2 2,-0.3 8,-0.0 10,-0.2 -0.911 68.9-173.2-106.2 110.6 52.7 9.5 19.2 56 56 A V E -D 64 0A 24 8,-2.8 8,-2.1 -2,-0.7 2,-0.2 -0.764 8.1-148.8-104.1 145.7 49.3 11.3 18.8 57 57 A Q E -D 63 0A 102 -2,-0.3 -9,-0.4 6,-0.2 2,-0.2 -0.668 13.3-178.8-110.2 165.3 46.5 11.2 21.3 58 58 A G > - 0 0 24 4,-1.3 3,-0.9 -2,-0.2 4,-0.3 -0.746 47.7 -46.4-143.5-168.9 42.7 11.4 20.9 59 59 A V T 3 S+ 0 0 102 -13,-0.7 3,-0.2 -2,-0.2 4,-0.0 -0.502 120.3 15.6 -72.1 132.9 39.7 11.4 23.1 60 60 A N T 3 S- 0 0 111 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.755 130.4 -61.4 76.9 30.5 39.7 8.8 25.9 61 61 A G S < S+ 0 0 44 -3,-0.9 17,-0.6 1,-0.3 2,-0.6 0.848 82.9 160.2 68.7 29.3 43.4 7.8 25.8 62 62 A F E - E 0 77A 2 -4,-0.3 -4,-1.3 -3,-0.2 2,-0.3 -0.804 20.4-168.1 -84.3 122.6 43.3 6.6 22.3 63 63 A E E -DE 57 76A 85 13,-2.7 13,-2.2 -2,-0.6 2,-0.4 -0.881 16.8-174.4-116.3 150.0 46.9 6.5 21.1 64 64 A A E -DE 56 75A 0 -8,-2.1 -8,-2.8 -2,-0.3 2,-0.5 -0.977 9.7-159.0-144.5 123.6 48.3 6.2 17.7 65 65 A E E -DE 55 74A 106 9,-1.3 9,-0.7 -2,-0.4 -10,-0.2 -0.931 7.6-147.0-110.5 130.9 52.0 5.9 17.1 66 66 A F E + E 0 73A 26 -12,-3.2 2,-0.2 -2,-0.5 7,-0.2 -0.576 15.8 179.1 -91.6 153.9 53.6 6.7 13.7 67 67 A S E >> + E 0 72A 14 5,-1.0 4,-1.0 -2,-0.2 5,-0.9 -0.728 22.0 178.8-158.6 102.3 56.7 4.9 12.4 68 68 A K T >45S+ 0 0 179 -2,-0.2 3,-0.5 2,-0.2 -1,-0.1 0.876 87.9 73.9 -65.1 -35.6 58.3 5.6 9.0 69 69 A S T 345S+ 0 0 107 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.893 121.9 1.9 -37.8 -61.5 60.7 3.0 10.3 70 70 A N T 345S- 0 0 111 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.097 99.6-115.7-124.0 25.2 58.1 0.2 9.7 71 71 A S T <<5 + 0 0 45 -4,-1.0 -47,-1.0 -3,-0.5 2,-0.3 0.899 66.9 127.3 38.5 71.4 55.1 2.0 8.2 72 72 A S E < -CE 23 67A 14 -5,-0.9 -5,-1.0 -49,-0.2 -49,-0.2 -0.884 40.9-170.7-142.7 165.6 52.4 1.5 10.8 73 73 A F E - E 0 66A 0 -51,-1.5 2,-0.2 -2,-0.3 -7,-0.2 -0.446 25.4-172.6-158.6 65.4 50.0 3.7 12.8 74 74 A H E - E 0 65A 33 -9,-0.7 -9,-1.3 -53,-0.1 2,-0.3 -0.501 14.5-139.8 -74.3 137.4 48.6 1.4 15.3 75 75 A L E -BE 20 64A 0 -55,-2.4 -55,-2.6 -11,-0.2 2,-0.3 -0.746 23.2-176.6 -93.4 144.2 45.7 2.5 17.5 76 76 A R E -BE 19 63A 113 -13,-2.2 -13,-2.7 -2,-0.3 2,-0.4 -1.000 17.6-171.1-147.0 143.3 45.7 1.5 21.2 77 77 A K E -BE 18 62A 13 -59,-2.4 -59,-2.3 -2,-0.3 3,-0.2 -0.988 20.0-144.8-136.4 119.4 43.4 2.0 24.2 78 78 A A S S+ 0 0 90 -17,-0.6 2,-0.4 -2,-0.4 -1,-0.1 0.912 88.1 5.5 -48.2 -54.1 44.6 1.0 27.6 79 79 A S S S- 0 0 42 -62,-0.1 -62,-0.2 -18,-0.1 -1,-0.2 -0.991 78.0-143.2-139.0 125.5 41.1 -0.3 28.8 80 80 A V - 0 0 0 -64,-2.6 -65,-2.7 -2,-0.4 2,-0.3 -0.588 10.6-160.3 -91.5 155.9 38.0 -0.6 26.6 81 81 A H > - 0 0 89 -2,-0.2 3,-3.0 -67,-0.2 4,-0.3 -0.916 35.7-101.8-132.1 154.8 34.4 0.1 27.5 82 82 A W G > S+ 0 0 73 -2,-0.3 3,-2.2 1,-0.3 27,-0.3 0.853 118.4 60.9 -41.1 -47.9 31.1 -0.9 25.9 83 83 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.614 89.8 73.3 -59.7 -13.1 30.6 2.5 24.3 84 84 A D G < + 0 0 5 -3,-3.0 2,-0.3 2,-0.1 -1,-0.3 0.578 65.4 116.7 -76.0 -14.5 33.9 1.9 22.3 85 85 A S < + 0 0 34 -3,-2.2 2,-0.3 -4,-0.3 23,-0.2 -0.450 44.5 105.5 -60.3 118.2 32.1 -0.6 20.1 86 86 A A E S- I 0 107B 8 21,-0.8 21,-3.8 -2,-0.3 2,-0.5 -0.896 75.4 -77.1-170.5-171.3 32.3 0.9 16.6 87 87 A V E -GI 37 106B 35 -50,-1.6 -50,-2.4 19,-0.3 2,-0.5 -0.969 41.7-154.7-109.6 123.2 34.1 0.6 13.2 88 88 A Y E -GI 36 105B 0 17,-3.1 17,-2.0 -2,-0.5 2,-0.4 -0.918 9.1-166.7-104.6 124.4 37.5 2.1 13.2 89 89 A F E -G 35 0B 2 -54,-3.3 -54,-2.8 -2,-0.5 2,-0.3 -0.911 8.2-152.4-112.2 138.3 39.0 3.3 10.0 90 90 A a E -G 34 0B 0 -2,-0.4 12,-2.8 -56,-0.2 2,-0.3 -0.837 19.2-172.0-104.7 148.9 42.6 4.2 9.3 91 91 A A E -GJ 33 101B 0 -58,-1.9 -58,-2.4 -2,-0.3 2,-0.4 -0.990 14.1-159.2-145.9 151.8 43.4 6.7 6.6 92 92 A V E +GJ 32 100B 0 8,-2.1 8,-2.5 -2,-0.3 -60,-0.2 -0.991 21.5 148.9-133.1 137.6 46.4 8.2 4.7 93 93 A S E -G 31 0B 7 -62,-1.4 -62,-1.1 -2,-0.4 2,-0.3 -0.535 15.4-171.2-139.8-153.4 46.8 11.5 2.7 94 99 A G E > - 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