==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 06-AUG-12 4GG8 . COMPND 2 MOLECULE: T-CELL RECEPTOR, SP3.4 ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.E.BROUGHTON,A.THEODOSSIS,J.PETERSEN,H.H.REID,J.ROSSJOHN . 836 14 10 6 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 511 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 295 35.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 100 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 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 RESIDUES PER ALPHA HELIX . 4 0 0 0 4 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 10 13 6 7 3 6 4 0 2 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 4 4 2 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 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 E K 0 0 203 0, 0.0 23,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-173.8 29.6 19.6 -19.6 2 4 E T - 0 0 31 84,-0.1 2,-0.3 20,-0.1 20,-0.2 -0.892 360.0-156.8-126.8 161.9 29.8 18.9 -15.8 3 5 E T B +A 21 0A 57 18,-1.5 18,-2.9 -2,-0.3 84,-0.0 -0.978 12.2 172.7-141.9 132.0 32.4 17.5 -13.5 4 6 E Q - 0 0 21 -2,-0.3 16,-0.1 16,-0.2 97,-0.1 -0.935 47.4 -81.5-126.9 155.0 32.1 15.8 -10.1 5 7 E P - 0 0 15 0, 0.0 675,-0.3 0, 0.0 98,-0.1 -0.240 39.6-124.9 -55.1 141.5 34.7 14.0 -8.0 6 8 E N S S+ 0 0 42 673,-1.5 97,-2.6 96,-0.2 2,-0.3 0.974 86.2 11.1 -50.7 -69.0 35.3 10.4 -9.1 7 9 E S E +eF 103 679B 18 672,-0.9 672,-2.5 95,-0.3 2,-0.3 -0.779 62.8 179.6-114.4 157.6 34.7 8.7 -5.8 8 10 E M E -eF 104 678B 1 95,-2.0 97,-2.4 -2,-0.3 2,-0.5 -0.955 9.3-160.5-151.5 138.0 33.3 9.9 -2.5 9 11 E E E +eF 105 677B 43 668,-2.6 667,-1.5 -2,-0.3 668,-1.0 -0.937 17.8 164.9-129.7 118.4 32.8 8.1 0.8 10 12 E S E -e 106 0B 5 95,-2.1 97,-1.5 -2,-0.5 2,-0.3 -0.515 32.7 -96.6-114.6 179.8 30.4 9.3 3.5 11 13 E N E > -e 107 0B 45 95,-0.2 3,-0.6 4,-0.2 65,-0.3 -0.761 36.8 -94.7-108.5 149.8 28.8 7.7 6.6 12 14 E E T 3 S+ 0 0 37 95,-1.8 65,-0.2 -2,-0.3 -1,-0.1 -0.062 104.1 20.0 -45.8 152.5 25.4 6.1 7.4 13 15 E E T 3 S+ 0 0 107 63,-2.9 -1,-0.2 1,-0.2 64,-0.1 0.822 102.8 110.9 50.2 39.3 22.6 8.2 8.8 14 16 E E S < S- 0 0 42 -3,-0.6 62,-3.1 62,-0.4 2,-0.3 -0.944 76.3-102.0-134.4 155.7 24.2 11.5 7.6 15 17 E P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 59,-0.2 -0.605 36.8-151.7 -75.8 143.4 23.3 14.0 5.0 16 18 E V E - B 0 73A 4 57,-1.6 57,-2.4 -2,-0.3 2,-0.6 -0.976 4.7-157.7-124.0 118.6 25.5 13.6 2.0 17 19 E H E - B 0 72A 27 -2,-0.5 55,-0.2 55,-0.2 53,-0.0 -0.865 3.5-164.1 -98.3 114.9 26.3 16.5 -0.3 18 20 E L E - B 0 71A 0 53,-3.6 53,-2.6 -2,-0.6 2,-0.2 -0.876 13.8-156.8-102.5 102.8 27.3 15.6 -3.8 19 21 E P E + B 0 70A 5 0, 0.0 2,-0.3 0, 0.0 51,-0.2 -0.494 14.7 176.9 -83.3 148.2 29.0 18.6 -5.4 20 22 E a E - B 0 69A 0 49,-1.7 49,-1.9 -2,-0.2 -16,-0.2 -0.959 15.3-145.1-151.7 131.4 29.2 19.1 -9.2 21 23 E N E +AB 3 68A 13 -18,-2.9 -18,-1.5 -2,-0.3 47,-0.2 -0.574 21.4 168.6 -96.6 160.5 30.6 21.9 -11.2 22 24 E H + 0 0 3 45,-2.8 4,-0.4 -20,-0.2 -20,-0.1 -0.265 12.1 157.2-165.5 64.2 29.5 23.5 -14.5 23 25 E S + 0 0 83 2,-0.1 2,-0.1 3,-0.0 3,-0.1 0.734 54.2 99.1 -64.7 -24.9 31.4 26.7 -15.1 24 26 E T S S- 0 0 54 -23,-0.4 2,-0.5 1,-0.2 0, 0.0 -0.445 106.5 -69.8 -60.4 140.2 30.5 26.2 -18.7 25 27 E I - 0 0 89 1,-0.2 2,-2.6 -2,-0.1 3,-0.2 -0.075 47.2-169.9 -46.6 88.8 27.5 28.3 -19.6 26 28 E S + 0 0 12 -2,-0.5 -1,-0.2 -4,-0.4 5,-0.1 -0.403 32.0 152.8 -74.3 63.3 24.6 26.7 -17.8 27 29 E G S S- 0 0 48 -2,-2.6 -1,-0.2 1,-0.2 -2,-0.0 0.972 77.6 -16.5 -62.6 -92.6 22.3 29.0 -19.9 28 30 E T S S+ 0 0 76 -3,-0.2 2,-0.6 2,-0.1 -1,-0.2 -0.157 107.7 131.1-101.1 33.2 18.9 27.4 -20.3 29 31 E D - 0 0 40 20,-0.1 61,-0.3 -4,-0.1 2,-0.2 -0.794 53.2-138.6 -95.4 122.7 20.5 24.2 -19.3 30 32 E Y E -G 89 0B 66 59,-3.7 59,-2.2 -2,-0.6 2,-0.6 -0.572 14.3-127.0 -78.2 140.2 18.7 22.1 -16.6 31 33 E I E -GH 88 48B 0 17,-1.2 17,-2.4 -2,-0.2 2,-0.3 -0.827 35.5-172.7 -86.3 117.6 20.8 20.5 -13.9 32 34 E H E -GH 87 47B 0 55,-3.5 55,-2.2 -2,-0.6 2,-0.4 -0.830 13.6-162.6-113.1 150.0 19.9 16.8 -13.8 33 35 E W E +G 86 0B 0 13,-1.2 12,-2.5 -2,-0.3 13,-0.5 -0.992 10.1 174.1-132.5 130.6 20.8 14.0 -11.5 34 36 E Y E -GH 85 44B 0 51,-1.3 51,-2.9 -2,-0.4 2,-0.3 -0.957 14.9-150.7-124.6 148.1 20.5 10.3 -12.1 35 37 E R E -GH 84 43B 47 8,-3.5 8,-3.0 -2,-0.3 2,-0.4 -0.880 4.0-154.9-119.7 155.3 21.7 7.4 -9.9 36 38 E Q E -GH 83 42B 20 47,-1.4 47,-1.9 -2,-0.3 5,-0.1 -0.964 14.4-151.9-131.9 118.4 22.9 3.8 -10.5 37 39 E L > - 0 0 22 4,-0.6 3,-2.8 -2,-0.4 45,-0.2 -0.439 42.7 -69.3 -92.0 161.3 22.7 1.1 -7.9 38 40 E P T 3 S- 0 0 111 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.524 121.9 -4.8 -11.6 -78.3 24.9 -2.0 -7.4 39 41 E S T 3 S+ 0 0 90 2,-0.0 2,-0.2 317,-0.0 -2,-0.0 -0.125 114.6 101.9-119.2 34.7 23.8 -4.2 -10.4 40 42 E Q S < S- 0 0 112 -3,-2.8 3,-0.1 1,-0.1 249,-0.1 -0.642 70.1 -93.8-125.5 170.3 21.1 -2.0 -11.9 41 43 E G - 0 0 13 247,-0.2 -4,-0.6 -2,-0.2 2,-0.2 -0.228 55.9 -83.3 -72.9 166.4 20.1 0.4 -14.6 42 44 E P E -H 36 0B 4 0, 0.0 244,-0.4 0, 0.0 2,-0.3 -0.516 44.3-166.7 -72.9 140.9 20.2 4.2 -14.1 43 45 E E E -H 35 0B 75 -8,-3.0 -8,-3.5 -2,-0.2 242,-0.1 -0.970 23.6-106.8-125.2 149.8 17.2 5.9 -12.4 44 46 E Y E +H 34 0B 26 -2,-0.3 -10,-0.3 -10,-0.3 3,-0.1 -0.255 31.2 177.7 -65.7 152.6 16.3 9.6 -12.2 45 47 E V E - 0 0 4 -12,-2.5 2,-0.3 1,-0.3 12,-0.2 0.545 52.8 -41.2-116.6 -83.6 16.8 11.5 -9.0 46 48 E I E - 0 0 1 -13,-0.5 -13,-1.2 11,-0.1 2,-0.3 -0.962 47.4-158.4-149.2 156.7 15.9 15.3 -9.1 47 49 E H E +H 32 0B 40 -2,-0.3 -15,-0.2 -15,-0.2 2,-0.2 -0.995 12.4 176.8-146.9 140.3 16.5 18.1 -11.6 48 50 E G E -H 31 0B 7 -17,-2.4 -17,-1.2 -2,-0.3 4,-0.1 -0.520 17.7-171.3-127.2-170.5 16.5 21.9 -11.3 49 51 E L S S- 0 0 62 2,-0.7 -1,-0.1 -19,-0.2 -20,-0.1 0.200 77.1 -11.0-145.9 -80.1 17.1 25.3 -13.0 50 52 E T S S+ 0 0 74 2,-0.1 2,-0.3 12,-0.0 16,-0.1 0.554 121.6 38.7-113.2 -14.3 17.3 28.6 -11.3 51 53 E S S S- 0 0 68 10,-0.0 -2,-0.7 1,-0.0 2,-0.1 -0.830 91.7 -83.0-132.2 169.5 16.1 27.8 -7.8 52 54 E N - 0 0 101 -2,-0.3 2,-0.3 10,-0.1 9,-0.2 -0.439 45.6-159.8 -71.5 148.9 16.4 25.0 -5.2 53 55 E V E -C 60 0A 45 7,-1.8 7,-2.5 -2,-0.1 2,-0.3 -0.988 5.9-153.0-138.9 142.0 14.0 22.0 -5.6 54 56 E N E +C 59 0A 114 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.882 19.4 154.2-115.3 144.5 12.7 19.2 -3.4 55 57 E N - 0 0 49 3,-1.8 -9,-0.0 -2,-0.3 -2,-0.0 -0.961 56.5 -92.8-153.5 174.7 11.4 15.7 -3.9 56 58 E R S S+ 0 0 110 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.680 122.3 48.7 -63.9 -18.4 11.1 12.4 -2.1 57 59 E M S S- 0 0 108 1,-0.3 17,-0.3 -12,-0.2 2,-0.3 0.952 122.8 -29.0 -80.8 -59.8 14.5 11.3 -3.4 58 60 E A - 0 0 0 -13,-0.2 -3,-1.8 15,-0.1 2,-0.4 -0.851 51.2-108.5-147.9 175.6 16.7 14.3 -2.7 59 61 E S E -CD 54 72A 17 13,-2.0 13,-2.5 -2,-0.3 2,-0.5 -0.927 28.9-152.1-109.2 142.6 17.1 18.0 -2.2 60 62 E L E -CD 53 71A 0 -7,-2.5 -7,-1.8 -2,-0.4 2,-0.5 -0.940 8.5-170.0-122.1 111.6 18.9 20.0 -4.9 61 63 E A E - D 0 70A 24 9,-2.3 9,-3.5 -2,-0.5 2,-0.3 -0.832 7.1-166.5 -93.4 132.0 20.7 23.2 -4.1 62 64 E I E - D 0 69A 20 -2,-0.5 7,-0.2 7,-0.2 -10,-0.1 -0.904 24.2-109.2-114.7 149.3 21.9 25.3 -7.0 63 65 E A - 0 0 24 5,-2.1 3,-0.5 -2,-0.3 -1,-0.0 -0.341 23.4-117.4 -72.1 156.9 24.4 28.2 -6.7 64 66 E E S S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.909 123.7 39.0 -57.0 -42.6 23.3 31.9 -7.1 65 67 E D S S- 0 0 98 1,-0.0 -1,-0.3 3,-0.0 -2,-0.0 0.449 106.3-135.8 -85.3 -5.9 25.6 32.0 -10.1 66 68 E R S S+ 0 0 46 -3,-0.5 -2,-0.1 2,-0.1 -40,-0.1 0.567 72.2 119.4 62.1 13.1 24.5 28.4 -11.1 67 69 E K S S+ 0 0 106 -46,-0.1 -45,-2.8 -44,-0.1 2,-0.3 0.730 78.4 30.4 -82.1 -22.0 28.1 27.5 -11.8 68 70 E S E -B 21 0A 28 -47,-0.2 -5,-2.1 -46,-0.1 2,-0.3 -0.893 68.6-169.0-130.4 163.0 28.0 24.8 -9.2 69 71 E S E -BD 20 62A 2 -49,-1.9 -49,-1.7 -2,-0.3 2,-0.5 -0.987 11.2-142.8-151.5 152.6 25.2 22.6 -7.8 70 72 E T E -BD 19 61A 28 -9,-3.5 -9,-2.3 -2,-0.3 2,-0.4 -0.926 1.5-156.6-131.6 111.2 24.7 20.2 -4.8 71 73 E L E -BD 18 60A 0 -53,-2.6 -53,-3.6 -2,-0.5 2,-0.5 -0.684 20.9-161.1 -77.5 131.2 22.7 16.9 -4.7 72 74 E I E -BD 17 59A 25 -13,-2.5 -13,-2.0 -2,-0.4 2,-0.9 -0.949 18.0-158.1-125.0 114.3 21.7 16.2 -1.1 73 75 E L E -B 16 0A 8 -57,-2.4 -57,-1.6 -2,-0.5 3,-0.3 -0.816 21.6-143.8 -87.2 107.2 20.7 12.9 0.2 74 76 E H S S- 0 0 100 -2,-0.9 2,-0.2 -17,-0.3 -1,-0.2 0.721 83.9 -3.9 -44.0 -35.9 18.7 14.0 3.3 75 77 E R S S- 0 0 136 -60,-0.1 -1,-0.2 -59,-0.1 2,-0.2 -0.793 82.2-142.2-163.1 113.9 19.9 11.0 5.3 76 78 E A + 0 0 0 -62,-3.1 -63,-2.9 -3,-0.3 -62,-0.4 -0.531 18.4 179.6 -88.5 147.4 22.1 8.4 3.7 77 79 E T > - 0 0 38 -65,-0.2 3,-1.6 -2,-0.2 4,-0.3 -0.871 51.9 -89.3-132.0 169.2 22.0 4.6 4.3 78 80 E L G > S+ 0 0 56 -2,-0.3 3,-0.8 1,-0.3 28,-0.2 0.719 126.4 64.3 -48.0 -23.2 24.0 1.6 2.9 79 81 E R G 3 S+ 0 0 63 1,-0.2 -1,-0.3 -42,-0.0 -3,-0.1 0.887 89.7 62.7 -67.8 -41.8 21.2 1.6 0.3 80 82 E D G < S+ 0 0 29 -3,-1.6 2,-0.9 -43,-0.1 -1,-0.2 0.436 70.3 121.8 -70.7 1.2 22.1 5.0 -1.1 81 83 E A < + 0 0 31 -3,-0.8 2,-0.2 -4,-0.3 24,-0.1 -0.569 46.4 120.6 -65.9 103.2 25.5 3.6 -2.1 82 84 E A - 0 0 6 -2,-0.9 22,-2.3 -45,-0.2 2,-0.5 -0.851 68.5 -86.4-153.1-178.9 25.3 4.3 -5.8 83 85 E V E -GI 36 103B 25 -47,-1.9 -47,-1.4 -2,-0.2 2,-0.5 -0.938 42.0-154.0-106.4 122.3 26.9 6.1 -8.9 84 86 E Y E -GI 35 102B 0 18,-1.7 18,-2.2 -2,-0.5 2,-0.5 -0.853 6.7-163.1-110.8 123.2 25.7 9.7 -9.2 85 87 E Y E -G 34 0B 12 -51,-2.9 -51,-1.3 -2,-0.5 2,-0.7 -0.863 8.0-160.3-106.0 132.6 25.6 11.6 -12.5 86 88 E a E +G 33 0B 0 -2,-0.5 2,-0.3 -53,-0.2 -53,-0.2 -0.923 26.1 179.0-108.8 104.1 25.3 15.4 -12.8 87 89 E I E -G 32 0B 9 -55,-2.2 -55,-3.5 -2,-0.7 2,-0.4 -0.816 26.7-139.0-109.7 145.8 24.1 16.1 -16.3 88 90 E L E -G 31 0B 30 -2,-0.3 2,-0.4 -57,-0.2 -57,-0.2 -0.886 24.3-179.8 -95.5 135.7 23.2 19.3 -18.2 89 91 E R E +G 30 0B 7 -59,-2.2 -59,-3.7 -2,-0.4 7,-0.1 -0.990 17.3 138.5-139.3 127.7 20.1 19.0 -20.3 90 92 E D - 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