==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 05-APR-11 3REV . COMPND 2 MOLECULE: TCR NB20 ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.WOOD,F.MOHAMMED,M.SALIM,A.TRANTER,A.B.RICKINSON,P.A.H.MOSS . 441 3 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 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 . 2 0.5 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-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 . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.3 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 . 3 0.7 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 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 . 2 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 . 4 3 11 2 4 1 3 2 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 . 0 2 1 0 4 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 3 A Q 0 0 82 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 89.8 -5.2 40.0 59.8 2 4 A S E -A 25 0A 54 23,-1.8 23,-2.5 89,-0.1 2,-0.3 -0.944 360.0-150.0-147.2 167.4 -3.5 41.8 62.7 3 5 A V E -A 24 0A 17 -2,-0.3 2,-0.4 21,-0.2 21,-0.3 -0.961 11.7-153.2-136.7 152.4 -1.3 41.6 65.7 4 6 A A E -A 23 0A 48 19,-3.7 19,-3.0 -2,-0.3 3,-0.1 -0.992 12.4-167.6-135.8 130.4 -1.2 43.6 68.9 5 7 A Q - 0 0 9 -2,-0.4 17,-0.2 17,-0.2 101,-0.1 -0.887 15.5-162.7-114.8 93.5 1.7 44.3 71.3 6 8 A P + 0 0 87 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.698 68.6 58.2 -48.2 -33.1 -0.2 45.8 74.3 7 9 A E - 0 0 54 14,-0.2 3,-0.1 1,-0.1 14,-0.0 -0.838 56.9-166.8-108.5 144.9 2.9 47.4 75.9 8 10 A D S S+ 0 0 105 -2,-0.4 101,-3.3 1,-0.2 2,-0.4 0.823 77.8 31.6 -93.9 -38.2 5.2 50.0 74.4 9 11 A Q E -f 109 0B 86 99,-0.2 2,-0.4 101,-0.0 -1,-0.2 -0.946 61.2-176.4-125.1 143.9 8.0 49.8 76.9 10 12 A V E -f 110 0B 20 99,-2.6 101,-2.9 -2,-0.4 2,-0.4 -0.995 7.4-161.0-139.9 130.7 9.3 47.0 79.0 11 13 A N E +f 111 0B 113 -2,-0.4 2,-0.4 99,-0.2 101,-0.2 -0.945 12.3 173.2-117.0 134.1 12.1 47.1 81.6 12 14 A V E -f 112 0B 14 99,-2.7 101,-2.3 -2,-0.4 2,-0.2 -0.990 31.3-117.6-137.5 143.4 14.0 44.1 82.9 13 15 A A E > -f 113 0B 46 -2,-0.4 3,-2.4 99,-0.2 67,-0.3 -0.573 47.1 -88.4 -80.4 143.2 17.0 43.9 85.2 14 16 A E T 3 S+ 0 0 47 99,-2.8 67,-0.2 1,-0.3 -1,-0.1 -0.215 115.1 18.0 -50.2 133.6 20.1 42.4 83.8 15 17 A G T 3 S+ 0 0 34 65,-3.3 -1,-0.3 1,-0.3 66,-0.1 0.133 102.4 111.0 89.7 -22.3 20.1 38.6 84.3 16 18 A N S < S- 0 0 91 -3,-2.4 64,-2.3 63,-0.2 -1,-0.3 -0.407 77.0 -87.5 -85.0 163.6 16.4 38.4 84.9 17 19 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -4,-0.2 -0.269 42.1-152.0 -65.5 153.2 13.7 36.8 82.7 18 20 A L E -B 77 0A 5 59,-1.9 59,-1.4 -6,-0.1 2,-0.4 -0.963 11.7-171.3-130.9 148.4 12.1 38.9 80.0 19 21 A T E -B 76 0A 43 -2,-0.4 2,-0.5 57,-0.2 57,-0.2 -0.995 5.3-171.3-140.6 130.5 8.6 38.8 78.4 20 22 A V E -B 75 0A 0 55,-2.3 55,-2.9 -2,-0.4 2,-0.1 -0.980 24.7-138.0-123.9 114.6 7.4 40.8 75.4 21 23 A K + 0 0 95 -2,-0.5 2,-0.3 53,-0.2 -14,-0.2 -0.424 27.5 165.4 -79.8 148.3 3.7 40.4 74.8 22 24 A a - 0 0 0 -17,-0.2 51,-2.4 -2,-0.1 2,-0.3 -0.950 10.5-172.0-159.0 134.7 1.9 40.0 71.5 23 25 A T E -AC 4 72A 47 -19,-3.0 -19,-3.7 -2,-0.3 2,-0.3 -0.926 11.8-150.4-127.8 154.3 -1.6 38.9 70.6 24 26 A Y E -A 3 0A 17 47,-1.7 2,-0.4 -2,-0.3 -21,-0.2 -0.876 11.9-154.3-127.4 159.8 -3.1 38.1 67.2 25 27 A S E +A 2 0A 73 -23,-2.5 -23,-1.8 -2,-0.3 2,-0.3 -0.943 33.2 157.8-133.0 106.5 -6.5 38.3 65.4 26 28 A V - 0 0 35 -2,-0.4 -2,-0.0 -25,-0.2 -23,-0.0 -0.988 42.2-148.0-139.3 145.1 -6.7 35.8 62.5 27 29 A S S S+ 0 0 114 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.920 89.2 17.0 -72.3 -47.9 -9.5 34.1 60.5 28 30 A G S S- 0 0 17 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.126 117.0 -37.7-106.5-154.5 -7.5 30.9 59.8 29 31 A N - 0 0 96 -2,-0.1 66,-2.6 65,-0.1 2,-0.3 -0.473 66.0-129.8 -69.2 136.9 -4.4 29.3 61.3 30 32 A P E -G 94 0B 11 0, 0.0 2,-0.6 0, 0.0 64,-0.2 -0.700 12.6-156.5 -95.3 146.2 -1.8 31.9 62.3 31 33 A Y E -G 93 0B 33 62,-1.9 62,-1.6 -2,-0.3 2,-0.3 -0.983 24.8-163.3-114.4 114.5 1.9 31.9 61.3 32 34 A L E -GH 92 49B 1 17,-1.7 17,-2.6 -2,-0.6 2,-0.3 -0.810 11.1-176.1-109.3 145.4 3.6 34.1 63.9 33 35 A F E -GH 91 48B 0 58,-2.5 58,-2.7 -2,-0.3 2,-0.4 -0.969 13.2-154.0-138.3 150.8 7.1 35.7 63.8 34 36 A W E -GH 90 47B 0 13,-2.5 12,-2.6 -2,-0.3 13,-1.1 -0.978 15.5-179.6-124.9 139.0 9.3 37.7 66.1 35 37 A Y E -GH 89 45B 1 54,-2.7 54,-2.6 -2,-0.4 2,-0.4 -0.949 14.7-146.2-133.7 153.2 12.0 40.1 65.0 36 38 A V E -GH 88 44B 0 8,-2.8 8,-2.9 -2,-0.3 2,-0.5 -0.941 5.4-161.4-122.0 144.0 14.5 42.3 66.8 37 39 A Q E -G 87 0B 20 50,-2.7 50,-2.1 -2,-0.4 6,-0.2 -0.943 7.2-160.3-128.0 110.3 15.7 45.7 65.7 38 40 A Y > - 0 0 35 4,-0.5 3,-2.2 -2,-0.5 48,-0.1 -0.473 49.5 -61.6 -82.2 159.4 18.9 47.0 67.3 39 41 A P T 3 S- 0 0 70 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.136 120.2 -4.7 -45.6 123.1 19.6 50.8 67.2 40 42 A N T 3 S+ 0 0 142 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.646 112.2 108.0 66.6 20.3 20.0 52.0 63.5 41 43 A R S < S- 0 0 129 -3,-2.2 -1,-0.2 1,-0.1 2,-0.1 -0.593 70.4-102.8-117.8 179.7 19.7 48.5 62.0 42 44 A G - 0 0 8 -2,-0.2 -4,-0.5 263,-0.1 2,-0.2 -0.385 55.4 -74.7 -91.9 176.4 17.2 46.6 60.0 43 45 A L - 0 0 7 263,-0.3 262,-0.6 -6,-0.2 2,-0.4 -0.514 44.3-154.3 -75.8 142.7 14.9 43.9 61.6 44 46 A Q E -H 36 0B 61 -8,-2.9 -8,-2.8 -2,-0.2 2,-0.1 -0.977 20.0-116.6-119.8 130.2 16.6 40.6 62.4 45 47 A F E +H 35 0B 52 -2,-0.4 -10,-0.2 -10,-0.2 14,-0.1 -0.383 34.4 170.5 -65.6 133.3 14.6 37.3 62.5 46 48 A L E - 0 0 2 -12,-2.6 13,-2.2 1,-0.4 2,-0.3 0.791 56.6 -38.2-106.7 -57.2 14.4 35.6 65.9 47 49 A L E -H 34 0B 4 -13,-1.1 -13,-2.5 11,-0.2 -1,-0.4 -0.974 46.8-152.4-163.5 171.1 11.9 32.8 65.7 48 50 A K E -H 33 0B 57 -2,-0.3 2,-0.5 9,-0.2 -15,-0.2 -0.982 11.6-138.5-152.0 159.0 8.5 31.8 64.2 49 51 A Y E +H 32 0B 20 -17,-2.6 -17,-1.7 -2,-0.3 3,-0.1 -0.990 31.8 151.3-123.8 125.5 5.6 29.4 64.9 50 52 A I - 0 0 35 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.741 64.1 -28.5-116.2 -56.7 4.0 27.5 62.1 51 53 A T S S+ 0 0 117 2,-0.1 2,-0.4 -20,-0.0 -1,-0.3 -0.984 99.0 16.8-163.3 154.3 2.5 24.3 63.4 52 54 A G S S+ 0 0 46 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.695 95.3 53.8 91.1-131.5 3.0 21.7 66.1 53 55 A D - 0 0 136 -2,-0.4 -3,-0.2 1,-0.2 -2,-0.1 -0.206 63.5-153.1 -45.7 120.7 5.0 22.3 69.3 54 56 A N S S+ 0 0 77 11,-0.1 12,-3.0 1,-0.1 2,-0.7 0.679 80.2 76.0 -73.7 -17.4 3.7 25.5 70.8 55 57 A L E -D 65 0A 70 10,-0.2 2,-0.4 8,-0.1 10,-0.2 -0.861 68.1-177.6 -98.0 112.9 7.1 26.2 72.4 56 58 A V E -D 64 0A 23 8,-2.7 8,-1.8 -2,-0.7 2,-0.3 -0.887 13.8-150.9-115.3 144.5 9.5 27.5 69.8 57 59 A K E +D 63 0A 129 -2,-0.4 -9,-0.2 6,-0.2 6,-0.2 -0.859 22.0 167.3-111.5 146.1 13.2 28.3 70.1 58 60 A G > - 0 0 28 4,-2.9 3,-0.7 -2,-0.3 -11,-0.2 -0.600 37.5 -35.5-138.3-160.9 15.1 30.9 68.1 59 61 A S G > S+ 0 0 51 -13,-2.2 3,-1.4 1,-0.2 -1,-0.2 -0.277 114.2 15.2 -65.8 148.9 18.2 33.0 67.7 60 62 A Y G 3 S- 0 0 120 1,-0.2 -1,-0.2 17,-0.0 -14,-0.0 0.814 130.0 -63.0 57.2 36.7 20.1 34.3 70.7 61 63 A G G < S+ 0 0 53 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.558 93.9 145.6 71.4 8.1 18.3 32.1 73.3 62 64 A F < + 0 0 1 -3,-1.4 -4,-2.9 15,-0.1 2,-0.3 -0.420 22.0 179.0 -78.7 155.0 14.9 33.5 72.6 63 65 A E E -DE 57 76A 42 13,-2.9 13,-3.6 -6,-0.2 2,-0.3 -0.915 9.2-165.3-144.9 169.4 11.7 31.4 72.8 64 66 A A E -DE 56 75A 1 -8,-1.8 -8,-2.7 -2,-0.3 2,-0.5 -0.971 13.3-139.0-159.0 146.2 8.0 32.0 72.4 65 67 A E E -DE 55 74A 119 9,-1.1 2,-0.8 -2,-0.3 9,-0.6 -0.940 12.6-141.6-117.3 118.8 4.9 30.0 73.3 66 68 A F E - E 0 73A 13 -12,-3.0 2,-0.7 -2,-0.5 7,-0.2 -0.652 21.1-174.1 -75.6 111.2 1.9 29.9 70.9 67 69 A N E >> - E 0 72A 36 5,-2.7 5,-2.1 -2,-0.8 4,-0.7 -0.862 8.3-178.8-113.4 97.3 -1.2 30.0 73.1 68 70 A K T >45S+ 0 0 156 -2,-0.7 3,-2.1 1,-0.2 -1,-0.2 0.959 80.7 56.0 -55.9 -59.7 -4.3 29.5 71.0 69 71 A S T 345S+ 0 0 112 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.760 120.0 34.4 -47.1 -29.1 -6.8 29.8 73.8 70 72 A Q T 345S- 0 0 109 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.462 101.7-133.1-105.2 -4.2 -5.3 33.3 74.5 71 73 A T T <<5 + 0 0 63 -3,-2.1 -47,-1.7 -4,-0.7 2,-0.3 0.948 63.8 132.8 48.1 52.1 -4.5 34.1 70.9 72 74 A S E < -CE 23 67A 3 -5,-2.1 -5,-2.7 -49,-0.2 -49,-0.2 -0.917 45.0-174.8-132.1 158.5 -1.0 35.1 72.2 73 75 A F E - E 0 66A 0 -51,-2.4 -7,-0.2 -2,-0.3 2,-0.1 -0.469 22.6-170.1-151.6 66.3 2.6 34.5 71.2 74 76 A H E - E 0 65A 39 -9,-0.6 -9,-1.1 -53,-0.1 2,-0.4 -0.389 19.1-128.6 -68.8 138.3 4.7 36.1 73.9 75 77 A L E -BE 20 64A 0 -55,-2.9 -55,-2.3 -11,-0.2 2,-0.3 -0.709 34.4-179.1 -86.4 131.0 8.5 36.4 73.3 76 78 A K E -BE 19 63A 85 -13,-3.6 -13,-2.9 -2,-0.4 -57,-0.2 -0.941 22.1-179.7-136.4 157.7 10.6 35.1 76.2 77 79 A K E -B 18 0A 16 -59,-1.4 -59,-1.9 -2,-0.3 3,-0.2 -0.902 23.5-142.0-154.9 121.1 14.2 34.7 77.3 78 80 A P S S+ 0 0 84 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.919 91.4 23.0 -48.7 -57.8 15.3 33.1 80.6 79 81 A S S S- 0 0 63 -62,-0.1 -63,-0.2 -18,-0.1 2,-0.2 -0.937 81.5-142.5-122.2 112.9 18.3 35.4 81.4 80 82 A A - 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