==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 23-JUL-12 4G8E . COMPND 2 MOLECULE: ALPHA CHAIN CLONE 18 TCR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAS,M.BHATI,J.ROSSJOHN . 442 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 36.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 51 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 0 1 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 . 3 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 4 6 2 5 4 2 1 2 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 2 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 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 G 0 0 77 0, 0.0 3,-0.1 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -42.0 -14.0 -18.8 -2.0 2 2 A Q + 0 0 98 22,-0.2 23,-2.3 1,-0.1 2,-0.5 0.550 360.0 10.7 -5.8 -92.1 -11.8 -21.8 -1.3 3 3 A N E -A 24 0A 22 21,-0.2 2,-0.6 97,-0.2 99,-0.5 -0.910 54.7-177.6-123.2 113.4 -10.0 -21.7 2.1 4 4 A I E +A 23 0A 103 19,-3.7 19,-2.9 -2,-0.5 2,-0.3 -0.898 7.6 171.0-117.8 110.8 -10.7 -19.2 5.0 5 5 A D E -A 22 0A 11 -2,-0.6 17,-0.2 17,-0.2 97,-0.1 -0.748 53.1 -91.6-106.7 150.3 -8.5 -19.4 8.2 6 6 A Q S S- 0 0 69 15,-1.0 3,-0.3 -2,-0.3 98,-0.1 0.623 75.3-126.9 -40.1 -36.6 -8.6 -16.6 11.1 7 8 A P - 0 0 55 0, 0.0 97,-0.1 0, 0.0 96,-0.0 0.786 56.6 -9.6 22.6 137.8 -5.7 -14.5 9.5 8 9 A T S S+ 0 0 67 95,-0.2 97,-2.9 94,-0.1 2,-0.2 -0.894 116.8 4.1 -76.2 -18.6 -3.4 -13.3 9.7 9 10 A E E -e 105 0B 76 -3,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.636 29.1-177.9-130.9 166.0 -3.4 -13.8 13.6 10 11 A M E -e 106 0B 36 95,-1.6 97,-2.1 -2,-0.2 2,-0.3 -0.913 17.9-162.3-155.9 141.7 -4.6 -15.0 17.0 11 12 A T E +e 107 0B 82 -2,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.991 15.9 163.8-131.2 140.8 -3.0 -14.2 20.5 12 13 A A E -e 108 0B 14 95,-2.2 97,-3.8 -2,-0.3 2,-0.3 -0.965 36.0-105.3-153.5 162.9 -3.6 -16.1 23.7 13 14 A T E > -e 109 0B 53 -2,-0.3 3,-1.8 95,-0.2 65,-0.2 -0.687 38.8-108.6 -92.6 144.9 -2.1 -16.6 27.2 14 15 A E T 3 S+ 0 0 27 95,-2.8 96,-0.1 -2,-0.3 -1,-0.1 0.750 115.5 51.9 -44.5 -34.1 -0.3 -19.9 28.2 15 16 A G T 3 S+ 0 0 60 62,-0.1 62,-0.4 2,-0.1 -1,-0.2 0.783 98.2 103.9 -75.1 -20.3 -3.0 -21.2 30.5 16 17 A A < - 0 0 37 -3,-1.8 62,-2.0 61,-0.2 2,-0.4 0.289 68.0-123.0 -65.6 171.8 -5.9 -20.7 27.9 17 18 A I - 0 0 124 59,-0.2 2,-0.4 60,-0.1 59,-0.2 -0.963 29.7-169.1-112.8 126.7 -8.2 -22.5 25.4 18 19 A V E - B 0 75A 12 57,-2.2 57,-2.6 -2,-0.4 2,-0.5 -0.966 11.0-156.4-121.7 142.6 -8.0 -21.3 21.8 19 20 A Q E - B 0 74A 79 -2,-0.4 2,-0.8 55,-0.2 55,-0.2 -0.967 6.5-157.6-118.7 111.1 -10.3 -22.1 18.9 20 21 A I E - B 0 73A 0 53,-3.3 53,-1.5 -2,-0.5 2,-0.3 -0.806 18.0-150.9 -94.4 107.5 -8.8 -21.7 15.4 21 22 A N E + B 0 72A 54 -2,-0.8 -15,-1.0 51,-0.2 2,-0.4 -0.605 17.5 178.6 -84.9 137.9 -11.8 -21.3 13.0 22 23 A a E -AB 5 71A 1 49,-3.4 49,-3.0 -2,-0.3 2,-0.4 -0.996 10.4-170.8-137.0 140.6 -11.7 -22.4 9.4 23 24 A T E -AB 4 70A 69 -19,-2.9 -19,-3.7 -2,-0.4 2,-0.3 -0.981 11.1-175.3-125.9 142.6 -14.3 -22.3 6.6 24 25 A Y E -A 3 0A 20 45,-2.7 2,-0.4 -2,-0.4 -21,-0.2 -0.960 18.2-165.0-136.8 155.2 -13.9 -24.0 3.2 25 26 A Q + 0 0 127 -23,-2.3 2,-0.3 -2,-0.3 -2,-0.0 -0.982 29.2 154.5-136.1 115.8 -15.8 -24.2 -0.1 26 27 A T - 0 0 39 -2,-0.4 3,-0.2 1,-0.1 -2,-0.0 -0.940 46.4-127.6-140.2 164.8 -14.7 -27.0 -2.5 27 28 A S S S+ 0 0 126 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.967 100.6 15.1 -77.6 -52.6 -16.1 -29.2 -5.4 28 29 A G S S- 0 0 30 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.775 76.2-154.5-131.3 88.0 -15.2 -32.7 -4.0 29 30 A F + 0 0 28 -2,-0.4 63,-0.2 -3,-0.2 3,-0.1 -0.436 19.6 172.4 -63.9 113.0 -14.2 -32.9 -0.3 30 31 A N - 0 0 54 61,-2.9 62,-0.2 1,-0.4 -1,-0.1 0.140 66.0 -59.3-107.5 18.3 -12.0 -35.8 0.5 31 32 A G - 0 0 0 60,-0.3 60,-2.6 19,-0.1 -1,-0.4 -0.313 51.0 -99.2 120.0 158.5 -11.4 -34.6 4.1 32 39 A L E -FG 49 90B 0 17,-3.1 17,-2.2 58,-0.2 2,-0.3 -0.893 31.8-163.8-111.9 143.2 -10.0 -31.7 6.0 33 40 A F E -FG 48 89B 1 56,-3.9 56,-2.3 -2,-0.4 2,-0.4 -0.888 11.8-157.4-124.9 157.3 -6.5 -31.4 7.6 34 41 A W E -FG 47 88B 0 13,-1.9 12,-2.4 -2,-0.3 13,-1.7 -0.986 15.4-174.8-127.4 138.2 -4.7 -29.2 10.2 35 42 A Y E -FG 45 87B 0 52,-1.7 52,-2.8 -2,-0.4 2,-0.5 -0.936 19.7-134.3-129.0 151.9 -0.9 -28.8 10.2 36 43 A Q E -FG 44 86B 29 8,-2.4 8,-2.4 -2,-0.3 2,-0.5 -0.919 20.7-172.5-106.4 128.4 1.4 -27.1 12.6 37 44 A Q E - G 0 85B 11 48,-3.0 48,-2.8 -2,-0.5 2,-0.2 -0.870 7.7-161.4-130.1 105.5 4.1 -24.9 11.2 38 45 A H > - 0 0 74 -2,-0.5 3,-2.6 4,-0.4 2,-0.5 -0.538 50.0 -70.0 -77.0 141.2 6.8 -23.4 13.4 39 46 A A T 3 S- 0 0 76 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.714 114.1 -7.4 -77.8 126.6 8.5 -20.5 11.7 40 47 A G T 3 S+ 0 0 62 -2,-0.5 -1,-0.3 1,-0.2 2,-0.1 -0.478 109.4 98.6-121.0 57.7 10.3 -21.2 9.4 41 48 A E S < S- 0 0 102 -3,-2.6 -1,-0.2 1,-0.2 266,-0.1 -0.394 80.0 -74.9 -92.1 173.0 10.3 -25.1 9.5 42 49 A A - 0 0 16 -2,-0.1 -4,-0.4 263,-0.1 -1,-0.2 -0.380 54.4-102.6 -66.3 144.0 8.3 -27.6 7.5 43 50 A P - 0 0 4 0, 0.0 262,-0.4 0, 0.0 2,-0.4 -0.393 35.4-149.6 -67.8 148.1 4.6 -28.1 8.4 44 51 A T E -F 36 0B 78 -8,-2.4 -8,-2.4 260,-0.1 2,-0.1 -0.951 23.5-100.5-119.6 138.8 3.8 -31.2 10.5 45 52 A F E +F 35 0B 49 -2,-0.4 -10,-0.2 258,-0.3 3,-0.1 -0.391 42.6 164.4 -60.8 135.8 0.5 -33.2 10.4 46 53 A L E - 0 0 28 -12,-2.4 2,-0.3 1,-0.4 -11,-0.2 0.729 58.1 -9.1-118.6 -54.7 -1.9 -32.5 13.3 47 54 A S E -F 34 0B 6 -13,-1.7 -13,-1.9 2,-0.0 2,-0.4 -0.990 40.1-157.7-155.6 156.0 -5.4 -33.9 12.2 48 55 A Y E -F 33 0B 59 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.993 17.5-179.3-133.8 125.1 -7.6 -35.4 9.4 49 56 A N E +F 32 0B 1 -17,-2.2 -17,-3.1 -2,-0.4 3,-0.1 -0.985 20.5 152.8-126.0 135.8 -11.4 -35.2 9.7 50 57 A V + 0 0 39 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.1 0.471 66.9 56.1-131.2 -30.5 -13.8 -36.6 7.1 51 58 A L S S- 0 0 123 2,-0.1 2,-0.3 14,-0.0 -1,-0.2 -0.723 98.0 -70.3-105.8 152.9 -16.9 -37.3 9.3 52 59 A D S S- 0 0 95 -2,-0.3 13,-0.1 -3,-0.1 2,-0.1 -0.599 76.4 -25.6 -71.0 134.5 -18.8 -34.9 11.5 53 60 A G S S+ 0 0 23 11,-0.6 2,-0.3 -2,-0.3 11,-0.2 -0.393 79.0 15.5-145.8 -78.4 -17.6 -33.9 14.0 54 66 A L + 0 0 97 9,-0.2 2,-0.4 -2,-0.1 9,-0.2 -0.637 36.4 179.7 -84.6 131.5 -15.5 -33.5 17.2 55 67 A E B -C 62 0A 83 7,-1.4 7,-1.3 -2,-0.3 -2,-0.0 -0.944 16.4-155.7-137.4 113.9 -12.3 -35.7 17.8 56 68 A E + 0 0 141 -2,-0.4 4,-0.3 5,-0.2 -1,-0.1 0.759 18.2 171.8 -51.3 -52.2 -10.1 -35.4 21.0 57 69 A K > - 0 0 129 2,-0.1 2,-0.6 1,-0.1 3,-0.5 0.693 66.9 -67.3 34.2 45.0 -6.5 -36.6 19.8 58 70 A G T 3 S- 0 0 60 1,-0.2 -1,-0.1 0, 0.0 3,-0.0 -0.806 111.0 -8.7 97.1-116.1 -4.8 -35.6 23.1 59 78 A R T 3 S+ 0 0 53 -2,-0.6 17,-2.1 1,-0.1 2,-0.5 0.390 126.1 69.4 -98.2 -6.2 -4.4 -31.9 24.0 60 79 A F E < - D 0 75A 26 -3,-0.5 2,-0.3 -4,-0.3 15,-0.2 -0.978 66.3-162.8-122.4 121.9 -5.6 -30.8 20.5 61 80 A S E - D 0 74A 17 13,-2.7 13,-2.6 -2,-0.5 2,-0.3 -0.698 1.4-160.0-103.2 153.7 -9.3 -31.2 19.4 62 81 A S E -CD 55 73A 2 -7,-1.3 -7,-1.4 -2,-0.3 2,-0.3 -0.945 6.3-165.8-139.6 116.7 -10.5 -31.1 15.8 63 82 A F E - D 0 72A 50 9,-2.8 9,-1.0 -2,-0.3 2,-0.4 -0.744 1.5-166.0-104.4 147.8 -14.1 -30.5 14.7 64 83 A L E + D 0 71A 1 -2,-0.3 -11,-0.6 -11,-0.2 2,-0.4 -0.999 13.8 178.9-136.0 134.2 -15.9 -31.0 11.4 65 84 A S E >> - D 0 70A 7 5,-2.0 5,-2.0 -2,-0.4 4,-0.9 -0.935 4.7-177.0-127.3 101.1 -19.3 -29.8 10.1 66 84AA R T 45S+ 0 0 121 -2,-0.4 3,-0.2 2,-0.2 -1,-0.1 0.869 83.9 55.9 -66.7 -38.9 -19.7 -31.0 6.4 67 84BA S T 45S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.887 117.4 34.2 -61.2 -41.3 -23.0 -29.2 6.0 68 84CA K T 45S- 0 0 157 2,-0.1 -1,-0.2 -45,-0.0 -2,-0.2 0.498 101.9-125.2 -90.9 -14.0 -21.4 -25.8 7.0 69 85 A G T <5 + 0 0 8 -4,-0.9 -45,-2.7 1,-0.2 2,-0.4 0.909 65.5 142.9 65.3 40.8 -18.0 -26.3 5.4 70 86 A Y E < +BD 23 65A 53 -5,-2.0 -5,-2.0 -47,-0.2 2,-0.3 -0.946 28.2 169.9-123.6 137.1 -16.6 -25.5 8.9 71 87 A S E -BD 22 64A 0 -49,-3.0 -49,-3.4 -2,-0.4 2,-0.3 -0.980 7.5-171.3-137.4 149.9 -13.7 -26.7 11.0 72 88 A Y E -BD 21 63A 44 -9,-1.0 -9,-2.8 -2,-0.3 2,-0.5 -0.991 14.5-149.5-139.4 144.4 -12.0 -25.7 14.2 73 89 A L E -BD 20 62A 1 -53,-1.5 -53,-3.3 -2,-0.3 2,-0.5 -0.961 19.0-156.3-105.7 120.3 -8.8 -26.8 15.9 74 90 A L E -BD 19 61A 41 -13,-2.6 -13,-2.7 -2,-0.5 2,-0.5 -0.907 6.1-166.1-105.2 130.5 -9.2 -26.5 19.7 75 91 A L E -BD 18 60A 0 -57,-2.6 -57,-2.2 -2,-0.5 3,-0.3 -0.984 10.6-171.6-117.1 114.3 -5.9 -26.1 21.7 76 92 A K + 0 0 83 -17,-2.1 -59,-0.2 -2,-0.5 -60,-0.1 -0.753 64.4 18.9-107.3 157.7 -6.4 -26.6 25.5 77 93 A E S S- 0 0 119 -62,-0.4 -1,-0.2 -2,-0.3 -61,-0.2 0.939 94.1-143.5 50.7 50.7 -3.8 -26.1 28.4 78 94 A L - 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