==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 14-NOV-06 2NW2 . COMPND 2 MOLECULE: ELS4 TCR ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.E.TYNAN,H.H.REID,J.ROSSJOHN . 438 4 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 37.0 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 . 37 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.8 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 . 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 . 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 . 2 4 6 3 4 6 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 0 1 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 72 0, 0.0 23,-2.6 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 -1.8 -25.0 7.7 26.7 2 2 A N - 0 0 122 21,-0.2 2,-0.3 1,-0.2 23,-0.1 0.873 360.0-173.9 50.8 51.2 -25.9 4.1 25.6 3 3 A I + 0 0 33 20,-0.2 2,-0.4 95,-0.1 20,-0.2 -0.601 10.9 177.9 -86.9 133.9 -23.9 4.3 22.4 4 4 A D B +A 22 0A 108 18,-2.6 18,-2.4 -2,-0.3 95,-0.1 -1.000 8.5 155.5-134.4 133.3 -24.0 1.5 19.8 5 5 A Q - 0 0 15 -2,-0.4 16,-0.1 16,-0.2 95,-0.1 -0.970 46.9 -87.2-148.3 156.8 -22.3 1.3 16.3 6 7 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 97,-0.1 -0.276 27.8-132.6 -67.7 153.2 -21.2 -1.6 14.1 7 8 A T S S- 0 0 122 1,-0.2 96,-2.8 95,-0.2 2,-0.3 0.919 80.4 -0.1 -68.5 -44.7 -17.8 -3.2 14.6 8 9 A E E -e 103 0B 116 94,-0.3 2,-0.3 76,-0.1 -1,-0.2 -0.994 55.2-174.9-152.3 148.1 -16.8 -3.2 11.0 9 10 A M E -e 104 0B 50 94,-2.7 96,-2.6 -2,-0.3 2,-0.4 -0.971 10.2-154.4-141.3 154.1 -17.9 -2.3 7.4 10 11 A T E +e 105 0B 71 -2,-0.3 2,-0.3 94,-0.2 96,-0.2 -0.985 19.4 161.8-131.4 140.3 -16.5 -2.9 4.0 11 12 A A E -e 106 0B 14 94,-2.2 96,-3.2 -2,-0.4 2,-0.3 -0.954 33.4-110.4-150.8 167.5 -17.1 -0.8 0.8 12 13 A T E > -e 107 0B 54 -2,-0.3 3,-2.1 94,-0.2 65,-0.2 -0.781 43.1 -91.0-106.6 145.1 -15.5 -0.2 -2.6 13 14 A E T 3 S+ 0 0 51 94,-2.9 65,-0.2 -2,-0.3 3,-0.1 -0.212 113.0 28.0 -52.4 139.7 -13.8 2.9 -3.8 14 15 A G T 3 S+ 0 0 58 63,-2.3 62,-0.4 1,-0.3 -1,-0.2 0.213 100.6 111.2 92.1 -12.9 -16.2 5.3 -5.5 15 16 A A < - 0 0 37 -3,-2.1 62,-2.4 61,-0.2 2,-0.4 -0.168 68.8-112.9 -85.5 178.5 -19.2 4.1 -3.5 16 17 A I - 0 0 110 59,-0.2 2,-0.4 60,-0.2 59,-0.2 -0.927 31.0-170.7-110.4 137.6 -21.4 5.7 -0.8 17 18 A V E - B 0 74A 10 57,-2.3 57,-2.9 -2,-0.4 2,-0.5 -0.991 11.7-153.5-133.1 143.4 -21.3 4.3 2.7 18 19 A Q E - B 0 73A 81 -2,-0.4 2,-0.6 55,-0.2 55,-0.2 -0.973 5.1-160.5-117.5 118.4 -23.5 5.1 5.7 19 20 A I E - B 0 72A 0 53,-3.0 53,-2.2 -2,-0.5 2,-0.3 -0.908 17.0-153.0-104.1 115.9 -22.1 4.6 9.2 20 21 A N E + B 0 71A 62 -2,-0.6 2,-0.4 51,-0.2 51,-0.2 -0.697 15.9 179.7 -96.9 140.5 -24.9 4.3 11.8 21 22 A a E - B 0 70A 1 49,-2.9 49,-2.9 -2,-0.3 2,-0.3 -0.999 5.9-167.8-137.9 134.5 -24.8 5.2 15.4 22 23 A T E +AB 4 69A 65 -18,-2.4 -18,-2.6 -2,-0.4 2,-0.3 -0.912 14.0 165.2-119.2 152.2 -27.6 5.0 18.1 23 24 A Y - 0 0 18 45,-2.2 2,-0.3 -2,-0.3 -21,-0.2 -0.963 22.1-154.7-153.4 163.1 -27.5 6.6 21.6 24 25 A Q + 0 0 145 -23,-2.6 2,-0.3 -2,-0.3 -21,-0.0 -0.912 28.5 149.9-147.8 125.2 -29.8 7.4 24.5 25 26 A T - 0 0 35 -2,-0.3 3,-0.4 -23,-0.1 2,-0.3 -0.998 41.9-123.2-151.6 148.1 -29.1 10.1 27.0 26 27 A S S S+ 0 0 113 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.659 98.6 23.8 -79.3 150.2 -30.6 12.7 29.3 27 28 A G S S- 0 0 60 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.913 84.2-155.9 60.7 49.1 -29.5 16.2 28.7 28 29 A F + 0 0 26 -3,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.360 23.4 169.6 -59.4 128.0 -28.5 15.8 25.0 29 30 A N - 0 0 67 61,-0.6 -1,-0.1 1,-0.4 2,-0.1 0.030 55.7 -60.2-131.3 22.7 -25.9 18.4 24.1 30 31 A G - 0 0 0 60,-0.2 60,-2.8 19,-0.2 -1,-0.4 -0.325 41.3-109.7 119.1 163.0 -24.7 17.1 20.7 31 32 A L E -FG 48 89B 0 17,-2.4 17,-2.6 58,-0.2 2,-0.3 -0.998 25.0-159.7-134.7 131.6 -23.1 14.3 18.9 32 33 A F E -FG 47 88B 0 56,-3.2 56,-2.6 -2,-0.4 2,-0.4 -0.838 6.2-153.2-109.1 149.1 -19.6 14.3 17.3 33 34 A W E -FG 46 87B 0 13,-2.2 12,-2.9 -2,-0.3 13,-1.7 -0.981 17.0-175.8-115.2 135.3 -18.1 12.1 14.6 34 35 A Y E -FG 44 86B 0 52,-2.2 52,-2.8 -2,-0.4 2,-0.4 -0.941 18.0-140.1-122.4 150.0 -14.3 11.5 14.6 35 36 A Q E -FG 43 85B 29 8,-2.8 8,-2.8 -2,-0.3 2,-0.4 -0.912 17.9-171.4-104.4 136.8 -12.0 9.7 12.1 36 37 A Q E - G 0 84B 10 48,-3.2 48,-2.8 -2,-0.4 2,-0.2 -0.902 10.7-155.6-133.8 106.7 -9.2 7.6 13.5 37 38 A H > - 0 0 61 4,-0.5 3,-1.6 -2,-0.4 46,-0.1 -0.558 54.3 -74.9 -70.3 142.5 -6.6 6.0 11.3 38 39 A A T 3 S- 0 0 75 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.178 113.7 -3.8 -45.6 121.1 -5.0 2.9 13.0 39 40 A G T 3 S+ 0 0 45 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.895 110.9 94.1 22.5 78.2 -2.7 4.4 15.7 40 41 A E S < S- 0 0 85 -3,-1.6 -1,-0.3 263,-0.1 264,-0.1 -0.841 83.1 -62.6-131.7-148.0 -2.9 7.7 15.2 41 42 A A - 0 0 12 -2,-0.2 -4,-0.5 261,-0.1 263,-0.1 -0.363 46.5-119.7 -65.8 131.3 -4.9 10.6 16.6 42 43 A P - 0 0 3 0, 0.0 260,-0.7 0, 0.0 2,-0.4 -0.448 33.1-154.9 -60.4 143.6 -8.6 10.7 16.2 43 44 A T E -F 35 0B 69 -8,-2.8 -8,-2.8 258,-0.1 258,-0.1 -0.980 18.9-101.4-129.3 143.2 -9.6 13.9 14.3 44 45 A F E +F 34 0B 87 -2,-0.4 -10,-0.2 256,-0.3 3,-0.1 -0.325 38.4 165.1 -62.9 132.7 -12.9 15.8 14.3 45 46 A L E - 0 0 38 -12,-2.9 2,-0.3 1,-0.4 -11,-0.2 0.724 60.6 -15.8-107.9 -47.9 -15.3 15.3 11.4 46 47 A S E -F 33 0B 3 -13,-1.7 -13,-2.2 14,-0.0 2,-0.4 -0.998 40.4-151.0-159.2 156.5 -18.6 16.8 12.5 47 48 A Y E -F 32 0B 42 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.998 19.2-178.4-130.9 130.3 -20.8 18.1 15.4 48 49 A N E +F 31 0B 10 -17,-2.6 -17,-2.4 -2,-0.4 3,-0.1 -0.999 22.1 149.4-130.4 134.4 -24.6 17.9 15.2 49 50 A V + 0 0 46 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 0.553 64.2 64.3-130.3 -27.0 -27.1 19.2 17.9 50 51 A L S S- 0 0 135 1,-0.1 -1,-0.1 14,-0.0 13,-0.1 -0.680 94.0 -96.2 -95.4 152.1 -30.1 20.1 15.7 51 52 A D S S+ 0 0 96 -2,-0.3 2,-0.2 11,-0.1 13,-0.2 -0.327 77.7 54.3 -62.2 146.3 -32.1 17.6 13.7 52 53 A G E S-C 63 0A 29 11,-2.6 11,-1.9 2,-0.0 2,-0.5 -0.637 84.8 -54.8 128.5-179.7 -31.3 17.2 10.1 53 54 A L E -C 62 0A 84 9,-0.2 2,-0.5 -2,-0.2 9,-0.2 -0.876 42.1-167.6-101.5 126.6 -28.7 16.5 7.4 54 55 A E E -C 61 0A 33 7,-2.5 7,-2.5 -2,-0.5 2,-0.4 -0.971 9.5-149.1-117.6 125.0 -25.6 18.7 7.4 55 56 A E E +C 60 0A 128 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.808 20.3 171.6-101.7 133.3 -23.2 18.5 4.4 56 57 A K E > -C 59 0A 135 3,-3.2 3,-1.7 -2,-0.4 2,-0.3 -0.755 62.8 -67.9-138.3 88.8 -19.4 19.1 4.5 57 58 A G T 3 S- 0 0 80 -2,-0.3 -1,-0.2 1,-0.3 0, 0.0 -0.502 116.5 -9.4 68.0-127.8 -17.7 18.3 1.3 58 61 A R T 3 S+ 0 0 53 -2,-0.3 17,-2.4 -3,-0.1 2,-0.3 0.579 129.1 70.8 -75.9 -14.5 -17.8 14.5 0.5 59 62 A F E < -CD 56 74A 30 -3,-1.7 -3,-3.2 15,-0.2 2,-0.3 -0.832 58.3-173.7-110.7 144.7 -19.2 13.8 4.0 60 63 A S E -CD 55 73A 2 13,-2.3 13,-3.1 -2,-0.3 2,-0.4 -0.956 9.1-153.7-129.7 152.9 -22.6 14.4 5.5 61 64 A S E -CD 54 72A 1 -7,-2.5 -7,-2.5 -2,-0.3 2,-0.4 -0.997 9.5-164.3-130.6 131.5 -23.8 13.9 9.1 62 65 A F E -CD 53 71A 50 9,-2.8 9,-1.2 -2,-0.4 2,-0.4 -0.877 2.9-169.0-113.7 144.5 -27.4 13.3 10.0 63 66 A L E -CD 52 70A 1 -11,-1.9 -11,-2.6 -2,-0.4 2,-0.4 -0.998 13.7-179.9-133.7 136.6 -29.1 13.6 13.4 64 67 A S E >> - D 0 69A 13 5,-2.7 5,-2.2 -2,-0.4 4,-1.0 -0.946 7.1-171.8-124.3 107.5 -32.6 12.5 14.7 65 68 A R T 45S+ 0 0 112 -2,-0.4 3,-0.1 3,-0.2 -1,-0.1 0.874 84.3 53.5 -66.5 -38.3 -32.9 13.4 18.4 66 69 A S T 45S+ 0 0 111 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.903 117.0 37.7 -65.6 -38.8 -36.2 11.6 18.9 67 70 A K T 45S- 0 0 162 2,-0.1 -1,-0.2 -43,-0.0 -2,-0.2 0.594 103.8-130.4 -83.7 -11.6 -34.8 8.3 17.5 68 71 A G T <5 + 0 0 6 -4,-1.0 -45,-2.2 1,-0.2 2,-0.4 0.955 62.9 139.2 54.9 52.3 -31.4 8.9 19.1 69 72 A Y E < +BD 22 64A 53 -5,-2.2 -5,-2.7 -47,-0.2 2,-0.3 -0.990 29.1 169.9-133.9 132.6 -29.9 8.2 15.7 70 73 A S E -BD 21 63A 0 -49,-2.9 -49,-2.9 -2,-0.4 2,-0.4 -0.990 8.9-167.8-132.9 149.2 -27.1 9.7 13.7 71 74 A Y E -BD 20 62A 37 -9,-1.2 -9,-2.8 -2,-0.3 2,-0.5 -0.990 15.5-144.8-131.9 150.8 -25.3 8.6 10.6 72 75 A L E -BD 19 61A 1 -53,-2.2 -53,-3.0 -2,-0.4 2,-0.6 -0.954 19.6-156.5-103.4 127.4 -22.1 9.7 8.8 73 76 A L E -BD 18 60A 25 -13,-3.1 -13,-2.3 -2,-0.5 2,-0.6 -0.932 5.8-166.5-110.7 118.4 -22.5 9.5 5.1 74 77 A L E -BD 17 59A 0 -57,-2.9 -57,-2.3 -2,-0.6 3,-0.3 -0.942 8.9-168.4-106.5 120.0 -19.3 9.2 3.0 75 78 A K + 0 0 78 -17,-2.4 -59,-0.2 -2,-0.6 -60,-0.1 -0.693 64.6 16.9-103.8 159.9 -19.6 9.8 -0.7 76 79 A E S S- 0 0 141 -62,-0.4 -1,-0.2 -2,-0.2 -60,-0.2 0.915 92.4-139.0 48.0 54.8 -17.1 9.1 -3.5 77 80 A L - 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