==== 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 4G8F . COMPND 2 MOLECULE: ALPHA CHAIN CLONE 42 TCR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAS,M.BHATI,J.ROSSJOHN . 427 3 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 36.8 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 . 1 0.2 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 . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 2 4 7 3 4 5 2 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 0 2 1 1 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 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 N 0 0 154 0, 0.0 2,-0.5 0, 0.0 22,-0.4 0.000 360.0 360.0 360.0 133.7 14.5 6.5 -9.2 2 4 A I - 0 0 25 20,-0.2 2,-0.5 95,-0.1 97,-0.4 -0.851 360.0-168.1-100.2 126.5 13.1 6.6 -12.8 3 5 A D B +A 21 0A 106 18,-2.4 18,-2.1 -2,-0.5 95,-0.1 -0.973 16.2 157.7-122.6 121.6 13.5 9.8 -14.9 4 6 A Q - 0 0 17 -2,-0.5 16,-0.1 16,-0.2 95,-0.1 -0.971 46.7 -97.8-134.7 148.4 11.6 10.3 -18.1 5 8 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 97,-0.1 -0.353 28.3-135.2 -67.5 147.1 10.8 13.6 -20.0 6 9 A T S S+ 0 0 97 1,-0.2 96,-2.9 95,-0.2 2,-0.3 0.930 82.1 15.8 -65.6 -51.7 7.2 14.9 -19.2 7 10 A E E +e 102 0B 93 94,-0.2 2,-0.3 76,-0.1 96,-0.2 -0.963 59.8 178.0-129.0 147.3 6.2 15.6 -22.9 8 11 A M E -e 103 0B 52 94,-2.4 96,-2.6 -2,-0.3 2,-0.3 -0.952 8.8-162.2-141.5 152.6 7.5 14.8 -26.4 9 12 A T E +e 104 0B 90 -2,-0.3 2,-0.3 94,-0.2 96,-0.2 -0.997 14.8 162.5-139.0 136.3 6.2 15.7 -29.9 10 13 A A E -e 105 0B 14 94,-2.0 96,-3.0 -2,-0.3 2,-0.3 -0.907 35.1-109.9-146.2 163.9 7.0 14.1 -33.3 11 14 A T E > -e 106 0B 43 -2,-0.3 3,-1.7 94,-0.2 65,-0.2 -0.831 43.2 -91.2-101.6 146.1 5.3 14.2 -36.7 12 15 A E T 3 S+ 0 0 43 94,-3.4 65,-0.2 -2,-0.3 3,-0.1 -0.210 112.9 29.6 -51.6 134.0 3.5 11.2 -38.2 13 16 A G T 3 S+ 0 0 62 63,-2.6 62,-0.4 1,-0.3 -1,-0.2 0.216 101.9 104.7 95.9 -9.9 5.9 9.1 -40.4 14 17 A A S < S- 0 0 39 -3,-1.7 62,-2.2 60,-0.1 2,-0.4 -0.224 72.8-105.0 -93.0-177.3 9.0 9.9 -38.3 15 18 A I - 0 0 112 59,-0.2 2,-0.4 60,-0.2 59,-0.2 -0.918 31.7-169.1-112.6 130.9 11.1 8.1 -35.7 16 19 A V E - B 0 73A 9 57,-2.6 57,-3.4 -2,-0.4 2,-0.5 -0.987 8.6-162.1-126.6 140.7 10.9 8.9 -32.0 17 20 A Q E - B 0 72A 75 -2,-0.4 2,-0.7 55,-0.2 55,-0.2 -0.988 5.0-160.9-124.5 116.6 13.1 7.8 -29.2 18 21 A I E - B 0 71A 0 53,-3.0 53,-2.1 -2,-0.5 2,-0.3 -0.919 17.5-149.1-103.1 110.6 11.8 8.1 -25.6 19 22 A N E - B 0 70A 67 -2,-0.7 2,-0.3 51,-0.2 51,-0.2 -0.577 16.7-178.1 -86.6 142.0 14.7 8.0 -23.1 20 23 A a E - B 0 69A 0 49,-3.0 49,-3.1 -2,-0.3 2,-0.3 -0.997 8.2-166.4-138.6 134.8 14.6 6.7 -19.6 21 24 A T E -AB 3 68A 69 -18,-2.1 -18,-2.4 -2,-0.3 2,-0.3 -0.910 12.3-175.5-116.0 143.9 17.3 6.5 -16.9 22 25 A Y - 0 0 7 45,-2.3 2,-0.8 -2,-0.3 -20,-0.2 -0.974 29.8-112.8-139.2 153.9 16.9 4.4 -13.7 23 26 A Q - 0 0 140 -22,-0.4 3,-0.3 -2,-0.3 44,-0.1 -0.820 29.1-139.7 -96.6 107.9 18.9 3.8 -10.6 24 27 A T + 0 0 87 -2,-0.8 2,-0.5 1,-0.2 -1,-0.1 0.766 57.8 121.7 -20.7 -93.9 20.4 0.3 -10.5 25 28 A S S S+ 0 0 125 1,-0.1 2,-0.7 2,-0.1 -1,-0.2 -0.423 93.4 5.7 54.0 -99.5 20.1 -1.1 -6.8 26 29 A G S S- 0 0 26 -2,-0.5 2,-0.8 -3,-0.3 -1,-0.1 -0.834 80.8-174.3-110.7 88.1 18.1 -4.2 -7.4 27 30 A F + 0 0 29 -2,-0.7 63,-0.2 1,-0.1 3,-0.1 -0.768 22.6 150.9 -92.9 107.4 17.7 -4.6 -11.2 28 31 A N - 0 0 58 61,-2.6 62,-0.1 -2,-0.8 -1,-0.1 -0.127 69.1 -43.3-120.8 35.0 15.4 -7.4 -12.3 29 32 A G - 0 0 0 19,-0.2 60,-2.3 60,-0.1 2,-0.4 -0.233 48.5-115.2 118.6 149.0 14.1 -6.0 -15.6 30 39 A L E -FG 47 88B 0 17,-2.3 17,-2.3 58,-0.2 2,-0.3 -0.991 27.4-159.2-120.0 128.1 12.8 -2.9 -17.3 31 40 A F E -FG 46 87B 0 56,-2.8 56,-2.6 -2,-0.4 2,-0.4 -0.805 8.6-157.2-106.4 147.9 9.2 -2.6 -18.6 32 41 A W E -FG 45 86B 0 13,-2.4 12,-2.6 -2,-0.3 13,-1.7 -0.990 17.2-176.1-118.7 126.2 7.7 -0.2 -21.2 33 42 A Y E -FG 43 85B 0 52,-2.1 52,-3.0 -2,-0.4 2,-0.5 -0.944 19.1-139.5-119.6 148.2 3.9 0.3 -21.0 34 43 A Q E -FG 42 84B 27 8,-3.1 8,-2.2 -2,-0.3 2,-0.4 -0.921 19.1-174.2-103.1 130.3 1.6 2.3 -23.3 35 44 A Q E - G 0 83B 12 48,-3.2 48,-2.7 -2,-0.5 2,-0.1 -0.871 6.7-162.9-130.6 103.4 -1.2 4.4 -21.6 36 45 A H > - 0 0 58 -2,-0.4 3,-3.1 4,-0.4 2,-0.5 -0.429 50.4 -63.1 -72.0 152.6 -3.7 6.1 -23.7 37 46 A A T 3 S- 0 0 89 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.698 115.8 -12.3 -81.1 131.5 -5.7 8.9 -21.9 38 47 A G T 3 S+ 0 0 72 -2,-0.5 -1,-0.3 1,-0.2 2,-0.2 0.105 111.3 107.2-115.8 78.2 -7.4 7.9 -19.6 39 48 A E S < S- 0 0 117 -3,-3.1 -1,-0.2 1,-0.1 252,-0.1 -0.575 75.4 -71.4-112.7 179.3 -7.3 4.2 -20.2 40 49 A A - 0 0 27 -2,-0.2 -4,-0.4 250,-0.1 -6,-0.1 -0.571 52.0-112.1 -74.9 132.6 -5.6 1.2 -18.7 41 50 A P - 0 0 3 0, 0.0 249,-0.5 0, 0.0 2,-0.4 -0.304 34.9-156.9 -59.8 145.9 -1.8 0.9 -19.3 42 51 A T E -F 34 0B 74 -8,-2.2 -8,-3.1 247,-0.1 247,-0.1 -0.993 22.0 -99.6-130.4 140.9 -0.9 -2.1 -21.6 43 52 A F E +F 33 0B 50 -2,-0.4 -10,-0.2 245,-0.3 3,-0.1 -0.290 39.8 165.7 -60.4 135.0 2.4 -4.0 -21.8 44 53 A L E - 0 0 22 -12,-2.6 2,-0.3 1,-0.4 -11,-0.2 0.726 60.2 -16.9-112.9 -57.7 4.8 -3.0 -24.6 45 54 A S E -F 32 0B 10 -13,-1.7 -13,-2.4 14,-0.1 -1,-0.4 -0.990 41.2-149.0-154.2 161.0 8.1 -4.6 -23.7 46 55 A Y E -F 31 0B 67 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.996 17.7-173.8-132.5 130.4 10.4 -6.3 -21.1 47 56 A N E +F 30 0B 9 -17,-2.3 -17,-2.3 -2,-0.4 3,-0.1 -0.990 23.2 150.5-131.9 121.7 14.2 -6.0 -21.2 48 57 A V + 0 0 45 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 0.628 69.0 48.0-116.8 -30.2 16.6 -7.8 -18.8 49 58 A L S S- 0 0 130 1,-0.1 -1,-0.1 14,-0.0 2,-0.1 -0.717 94.8 -72.9-107.8 160.5 19.6 -8.1 -21.1 50 59 A D S S+ 0 0 98 -2,-0.3 13,-0.2 11,-0.1 2,-0.1 -0.444 73.8 4.3 -73.7 155.9 21.4 -5.6 -23.2 51 60 A G E S-C 62 0A 27 11,-0.7 11,-1.7 -2,-0.1 2,-0.4 -0.255 84.7 -11.5-123.2 -82.7 20.8 -4.1 -26.0 52 66 A L E -C 61 0A 79 9,-0.2 2,-0.4 -2,-0.1 9,-0.2 -0.789 41.5-178.0-103.1 124.2 18.2 -3.6 -28.8 53 67 A E E -C 60 0A 134 7,-2.7 7,-2.4 -2,-0.4 2,-0.2 -0.966 15.4-145.5-126.7 120.5 14.9 -5.6 -29.4 54 68 A E E +C 59 0A 135 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.571 20.7 169.9 -83.0 140.6 12.4 -5.2 -32.3 55 69 A K E > -C 58 0A 126 3,-2.5 3,-1.1 -2,-0.2 2,-0.5 -0.608 68.7 -65.4-150.7 70.6 8.6 -5.8 -31.6 56 70 A G T 3 S- 0 0 69 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.690 116.2 -12.8 83.4-118.8 6.9 -4.5 -34.8 57 78 A R T 3 S+ 0 0 49 -2,-0.5 17,-2.6 -3,-0.1 2,-0.4 0.449 127.1 79.6 -91.0 -8.4 7.3 -0.7 -35.2 58 79 A F E < -CD 55 73A 28 -3,-1.1 -3,-2.5 15,-0.2 2,-0.4 -0.881 58.9-171.2-106.0 136.2 8.6 -0.5 -31.6 59 80 A S E -CD 54 72A 0 13,-2.4 13,-3.3 -2,-0.4 2,-0.5 -0.975 9.0-152.3-124.8 137.8 12.2 -1.3 -30.4 60 81 A S E -CD 53 71A 5 -7,-2.4 -7,-2.7 -2,-0.4 2,-0.4 -0.958 9.7-164.2-114.3 129.7 13.3 -1.5 -26.8 61 82 A F E -CD 52 70A 47 9,-2.5 9,-1.3 -2,-0.5 2,-0.4 -0.916 5.2-174.1-114.2 141.7 16.9 -0.8 -25.8 62 83 A L E +CD 51 69A 0 -11,-1.7 -11,-0.7 -2,-0.4 2,-0.4 -0.999 12.9 178.7-135.2 134.1 18.6 -1.6 -22.6 63 84 A S E >> - D 0 68A 11 5,-2.2 5,-2.1 -2,-0.4 4,-0.9 -0.959 9.1-170.0-129.3 107.0 22.1 -0.7 -21.3 64 84AA R T 45S+ 0 0 103 -2,-0.4 -40,-0.1 1,-0.2 3,-0.1 0.855 83.6 53.7 -68.1 -38.7 22.5 -2.1 -17.8 65 84BA S T 45S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.1 -41,-0.1 0.803 114.3 40.5 -66.2 -34.5 25.8 -0.3 -17.0 66 84CA K T 45S- 0 0 158 2,-0.2 -1,-0.2 -42,-0.0 -2,-0.2 0.630 102.9-127.3 -89.4 -13.7 24.4 3.2 -17.9 67 85 A G T <5 + 0 0 4 -4,-0.9 -45,-2.3 1,-0.3 2,-0.4 0.907 65.3 141.0 66.0 40.2 21.0 2.6 -16.2 68 86 A Y E < +BD 21 63A 59 -5,-2.1 -5,-2.2 -47,-0.2 2,-0.3 -0.957 28.1 167.7-124.0 136.4 19.5 3.6 -19.6 69 87 A S E -BD 20 62A 0 -49,-3.1 -49,-3.0 -2,-0.4 2,-0.3 -0.987 9.1-169.5-138.6 150.0 16.6 2.4 -21.6 70 88 A Y E -BD 19 61A 41 -9,-1.3 -9,-2.5 -2,-0.3 2,-0.5 -0.997 17.2-144.2-138.9 147.5 14.8 3.9 -24.6 71 89 A L E -BD 18 60A 1 -53,-2.1 -53,-3.0 -2,-0.3 2,-0.5 -0.952 21.5-159.0-106.6 120.4 11.7 3.1 -26.5 72 90 A L E -BD 17 59A 26 -13,-3.3 -13,-2.4 -2,-0.5 2,-0.5 -0.931 6.7-170.0-106.4 124.9 12.1 3.7 -30.2 73 91 A L E -BD 16 58A 0 -57,-3.4 -57,-2.6 -2,-0.5 3,-0.3 -0.970 7.1-174.9-117.3 118.5 9.0 4.2 -32.4 74 92 A K + 0 0 56 -17,-2.6 -59,-0.2 -2,-0.5 3,-0.2 -0.648 65.2 26.5-104.9 170.1 9.3 4.2 -36.2 75 93 A E S S- 0 0 133 -62,-0.4 -1,-0.2 -2,-0.2 -60,-0.2 0.909 93.0-143.3 45.7 51.5 6.8 4.9 -38.9 76 94 A L - 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