==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 21-JUL-04 1U3H . COMPND 2 MOLECULE: T-CELL RECEPTOR ALPHA-CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.MAYNARD,K.PETERSSON,D.H.WILSON,E.J.ADAMS,S.E.BLONDELLE, . 1208 10 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 817 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 439 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 . 143 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.1 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 3 0 0 3 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 1 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 0 PARALLEL BRIDGES PER LADDER . 6 15 16 13 7 17 0 4 4 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 . 4 0 5 11 1 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 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 2 A Q 0 0 128 0, 0.0 23,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.8 5.8 35.1 34.1 2 3 A V E -A 23 0A 7 98,-0.5 2,-0.4 21,-0.2 100,-0.3 -0.924 360.0-164.3-119.9 143.0 7.8 32.7 31.8 3 4 A R E -A 22 0A 101 19,-3.2 19,-2.3 -2,-0.4 2,-0.6 -0.986 8.5-158.2-131.6 136.4 6.6 30.3 29.2 4 5 A Q - 0 0 12 -2,-0.4 17,-0.2 17,-0.2 68,-0.0 -0.917 7.9-158.1-117.2 107.4 8.4 27.3 27.4 5 6 A S S S+ 0 0 70 -2,-0.6 2,-1.3 1,-0.1 -1,-0.2 0.901 74.3 72.6 -46.7 -64.7 6.9 26.3 24.1 6 7 A P - 0 0 15 0, 0.0 99,-0.2 0, 0.0 3,-0.2 -0.401 60.8-170.0 -62.5 94.6 8.1 22.7 23.6 7 8 A Q S S- 0 0 161 -2,-1.3 98,-0.4 1,-0.2 2,-0.3 0.814 77.5 -11.6 -54.1 -28.8 5.9 20.9 26.2 8 9 A S S S- 0 0 79 96,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.918 71.4-164.5-169.8 144.5 8.2 17.9 25.5 9 10 A L E -e 106 0B 48 96,-2.4 98,-1.9 -2,-0.3 2,-0.4 -0.993 8.7-173.5-146.5 139.1 10.8 17.1 22.9 10 11 A T E +e 107 0B 76 -2,-0.3 2,-0.3 96,-0.2 98,-0.2 -0.994 13.9 168.2-130.2 129.2 12.7 14.0 21.5 11 12 A V E -e 108 0B 18 96,-2.4 98,-1.7 -2,-0.4 2,-0.4 -0.996 35.2-109.7-141.9 146.0 15.5 14.1 19.0 12 13 A W E > -e 109 0B 175 -2,-0.3 3,-1.7 96,-0.2 66,-0.2 -0.617 52.2 -83.9 -82.0 129.4 18.1 11.6 17.7 13 14 A E T 3 S+ 0 0 90 96,-2.7 66,-0.2 -2,-0.4 -1,-0.1 0.154 112.7 28.3 -28.7 124.5 21.7 12.1 18.7 14 15 A G T 3 S+ 0 0 37 1,-0.3 63,-0.4 -3,-0.1 -1,-0.2 0.077 94.6 100.7 108.2 -25.1 23.6 14.5 16.5 15 16 A E S < S- 0 0 86 -3,-1.7 63,-3.6 62,-0.2 2,-0.5 0.138 80.8 -88.5 -76.7-161.8 20.8 16.8 15.3 16 17 A T - 0 0 78 61,-0.2 2,-0.6 60,-0.2 60,-0.2 -0.944 31.8-154.0-120.5 113.3 19.9 20.2 16.6 17 18 A A E - B 0 75A 0 58,-2.2 58,-3.4 -2,-0.5 2,-0.5 -0.749 10.6-165.3 -88.2 119.0 17.6 20.6 19.5 18 19 A I E - B 0 74A 76 -2,-0.6 2,-0.3 56,-0.2 56,-0.2 -0.909 3.5-169.9-107.0 126.4 15.7 23.9 19.6 19 20 A L E - B 0 73A 0 54,-1.7 54,-1.0 -2,-0.5 2,-0.3 -0.856 9.8-145.6-112.3 150.1 14.0 25.0 22.8 20 21 A N E + B 0 72A 61 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.869 17.7 173.3-121.1 153.6 11.6 28.0 23.1 21 22 A a E + B 0 71A 7 50,-2.5 50,-1.3 -2,-0.3 2,-0.3 -0.989 2.1 178.7-152.2 150.5 10.8 30.5 25.8 22 23 A S E +AB 3 70A 39 -19,-2.3 -19,-3.2 -2,-0.3 2,-0.3 -0.990 3.2 175.0-154.2 155.4 8.8 33.7 26.1 23 24 A Y E -A 2 0A 10 46,-1.6 -21,-0.2 -2,-0.3 3,-0.0 -0.911 22.6-145.7-150.9 169.1 7.8 36.3 28.8 24 25 A E + 0 0 126 -23,-0.7 2,-0.3 -2,-0.3 -22,-0.1 -0.204 66.7 98.4-142.8 50.7 5.9 39.5 28.8 25 26 A N > - 0 0 17 -24,-0.1 3,-3.4 44,-0.0 -1,-0.1 -0.833 53.5-162.0-135.7 88.9 7.6 41.7 31.4 26 27 A S T 3 S+ 0 0 61 -2,-0.3 -1,-0.0 1,-0.3 43,-0.0 0.576 85.7 73.8 -51.6 -9.5 9.9 44.1 29.4 27 28 A A T 3 + 0 0 2 65,-0.0 66,-1.5 572,-0.0 -1,-0.3 0.605 69.4 109.4 -81.6 -11.7 11.6 44.7 32.7 28 29 A F E < +F 92 0C 5 -3,-3.4 64,-0.3 64,-0.2 3,-0.1 -0.478 33.9 160.3 -66.0 130.4 13.2 41.3 32.5 29 30 A D E + 0 0 25 62,-2.4 21,-2.6 1,-0.3 2,-0.4 0.518 54.5 54.8-129.0 -14.6 17.0 41.7 31.8 30 31 A Y E -FG 91 49C 8 61,-1.5 61,-2.0 19,-0.2 -1,-0.3 -0.992 54.1-178.9-129.7 130.9 18.6 38.4 32.8 31 32 A F E - G 0 48C 1 17,-2.4 17,-1.8 -2,-0.4 2,-0.4 -0.886 3.8-177.1-133.1 102.0 17.7 34.9 31.6 32 33 A P E - G 0 47C 0 0, 0.0 57,-1.7 0, 0.0 2,-0.5 -0.831 15.8-145.5-101.2 137.3 19.5 31.9 33.0 33 34 A W E -HG 88 46C 0 13,-2.8 12,-3.1 -2,-0.4 13,-0.8 -0.871 14.5-157.3-100.6 128.7 18.7 28.3 31.7 34 35 A Y E -HG 87 44C 0 53,-2.6 53,-3.4 -2,-0.5 2,-0.5 -0.800 4.1-148.5-106.0 149.2 19.0 25.5 34.2 35 36 A Q E -HG 86 43C 34 8,-3.8 8,-0.9 -2,-0.3 2,-0.5 -0.966 12.2-168.7-118.3 123.4 19.6 21.9 33.4 36 37 A Q E -H 85 0C 15 49,-3.0 49,-2.3 -2,-0.5 5,-0.1 -0.946 5.1-162.3-121.0 118.8 18.1 19.2 35.7 37 38 A F > - 0 0 73 -2,-0.5 3,-2.1 4,-0.5 47,-0.1 -0.737 43.1 -88.7 -92.1 140.3 19.0 15.5 35.5 38 39 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.199 113.3 26.4 -50.6 130.8 16.6 13.0 37.2 39 40 A G T 3 S+ 0 0 61 1,-0.3 2,-0.2 176,-0.1 -3,-0.0 0.043 113.4 65.0 105.9 -25.5 17.6 12.5 40.8 40 41 A E S < S- 0 0 121 -3,-2.1 -1,-0.3 1,-0.1 174,-0.1 -0.705 85.5 -92.4-123.6 175.3 19.3 15.8 41.5 41 42 A G - 0 0 12 173,-0.4 -4,-0.5 -2,-0.2 -1,-0.1 -0.221 53.6 -80.2 -80.4 175.2 18.3 19.5 41.6 42 43 A P - 0 0 6 0, 0.0 171,-0.6 0, 0.0 2,-0.3 -0.299 44.2-159.5 -72.8 162.1 18.5 21.9 38.7 43 44 A A E -G 35 0C 52 -8,-0.9 -8,-3.8 169,-0.1 2,-0.3 -0.998 24.8-101.5-147.0 142.0 21.8 23.6 37.7 44 45 A L E +G 34 0C 41 -2,-0.3 -10,-0.3 167,-0.3 3,-0.1 -0.440 40.5 165.9 -65.7 122.1 22.8 26.7 35.7 45 46 A L E - 0 0 41 -12,-3.1 2,-0.3 1,-0.3 -11,-0.2 0.871 63.6 -8.5 -98.3 -67.3 23.9 25.8 32.1 46 47 A I E -G 33 0C 5 -13,-0.8 -13,-2.8 15,-0.0 2,-0.3 -1.000 60.1-168.1-139.2 138.9 24.0 29.1 30.1 47 48 A S E -G 32 0C 30 -2,-0.3 2,-0.3 -15,-0.3 15,-0.1 -0.957 3.2-168.8-128.8 146.8 22.8 32.6 30.9 48 49 A I E -G 31 0C 5 -17,-1.8 -17,-2.4 -2,-0.3 2,-0.3 -0.933 15.7-132.8-133.7 156.6 22.3 35.8 28.8 49 50 A L E > -G 30 0C 21 -2,-0.3 3,-0.9 -19,-0.2 -19,-0.2 -0.795 26.7-120.8-105.2 149.2 21.7 39.5 29.3 50 51 A S T 3 S+ 0 0 14 -21,-2.6 16,-0.1 -2,-0.3 -20,-0.1 0.684 105.8 77.6 -61.9 -15.3 19.0 41.5 27.4 51 52 A V T 3 S+ 0 0 85 -22,-0.3 -1,-0.2 2,-0.0 2,-0.1 0.935 97.0 40.8 -59.6 -50.2 21.9 43.6 26.2 52 53 A S < - 0 0 49 -3,-0.9 14,-0.2 1,-0.1 3,-0.1 -0.195 69.2-144.1 -89.5-174.9 23.1 41.1 23.6 53 54 A D S S+ 0 0 119 1,-0.3 11,-0.9 12,-0.1 2,-0.3 0.217 79.7 34.9-133.7 6.8 21.0 38.9 21.3 54 55 A K E -C 63 0A 102 9,-0.2 2,-0.3 -5,-0.1 -1,-0.3 -0.985 52.1-177.0-161.6 152.2 23.2 35.8 21.3 55 56 A K E -C 62 0A 79 7,-1.2 7,-2.3 -2,-0.3 2,-0.3 -0.910 10.7-168.3-156.9 124.3 25.4 33.8 23.6 56 57 A E E +C 61 0A 123 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.867 19.4 156.0-119.5 152.4 27.5 30.7 22.8 57 58 A D E > S-C 60 0A 106 3,-1.9 3,-0.9 -2,-0.3 2,-0.3 -0.432 71.8 -44.1-172.6 87.1 29.3 28.1 24.9 58 59 A G T 3 S- 0 0 71 1,-0.2 -1,-0.3 -2,-0.1 18,-0.1 -0.681 121.2 -21.2 86.3-138.4 29.9 24.7 23.3 59 61 A R T 3 S+ 0 0 68 -2,-0.3 17,-1.8 -3,-0.1 2,-0.4 0.731 120.7 97.7 -75.9 -20.7 26.9 23.2 21.5 60 62 A F E < +CD 57 75A 22 -3,-0.9 -3,-1.9 15,-0.2 2,-0.4 -0.564 46.0 165.5 -79.9 124.1 24.8 25.5 23.6 61 63 A T E -CD 56 74A 12 13,-1.8 13,-3.1 -2,-0.4 2,-0.4 -0.980 23.0-150.0-139.9 122.5 23.6 28.9 22.1 62 64 A I E -CD 55 73A 0 -7,-2.3 -7,-1.2 -2,-0.4 2,-0.7 -0.785 6.5-156.8 -93.6 133.0 20.9 31.2 23.4 63 65 A F E -CD 54 72A 87 9,-3.6 9,-1.4 -2,-0.4 2,-0.6 -0.892 13.0-168.0-110.5 100.9 19.0 33.3 20.8 64 66 A F E - D 0 71A 8 -11,-0.9 2,-0.8 -2,-0.7 7,-0.2 -0.808 9.7-169.7 -96.5 121.0 17.5 36.3 22.6 65 67 A N E > - D 0 70A 61 5,-1.4 5,-1.3 -2,-0.6 4,-0.2 -0.773 7.5-161.7-109.9 85.8 14.9 38.4 20.7 66 68 A K T > 5S+ 0 0 124 -2,-0.8 3,-0.8 -14,-0.2 -1,-0.2 0.807 75.0 48.1 -29.3 -67.9 14.4 41.6 22.7 67 69 A R G > 5S+ 0 0 196 1,-0.2 3,-0.8 2,-0.1 -2,-0.0 -0.398 109.7 34.8 -77.9 161.4 11.1 42.6 21.2 68 70 A E G 3 5S- 0 0 136 1,-0.2 -1,-0.2 -2,-0.1 -45,-0.1 0.389 110.3-115.1 73.7 -6.5 8.3 40.1 20.8 69 71 A K G < 5 + 0 0 64 -3,-0.8 -46,-1.6 -4,-0.2 -1,-0.2 0.837 67.1 148.0 42.3 47.5 9.9 38.9 24.1 70 72 A K E < < +BD 22 65A 107 -5,-1.3 -5,-1.4 -3,-0.8 2,-0.3 -0.574 21.1 174.2-102.0 169.2 10.9 35.6 22.6 71 73 A L E -BD 21 64A 5 -50,-1.3 -50,-2.5 -7,-0.2 2,-0.3 -0.915 5.6-171.3-172.6 144.5 14.0 33.5 23.5 72 74 A S E -BD 20 63A 14 -9,-1.4 -9,-3.6 -2,-0.3 2,-0.6 -0.994 18.1-143.5-152.6 144.2 15.4 30.1 22.5 73 75 A L E -BD 19 62A 0 -54,-1.0 -54,-1.7 -2,-0.3 2,-0.5 -0.912 19.4-162.0-109.1 111.3 18.1 27.6 23.5 74 76 A H E -BD 18 61A 38 -13,-3.1 -13,-1.8 -2,-0.6 2,-0.8 -0.813 7.1-166.5 -97.5 123.7 19.7 25.7 20.5 75 77 A I E -BD 17 60A 0 -58,-3.4 -58,-2.2 -2,-0.5 -15,-0.2 -0.807 16.1-160.6-109.1 89.3 21.7 22.6 21.2 76 78 A A S S+ 0 0 43 -17,-1.8 -60,-0.2 -2,-0.8 -61,-0.1 -0.341 70.3 19.2 -68.0 148.7 23.6 21.9 18.0 77 79 A D S S- 0 0 98 -63,-0.4 -62,-0.2 -64,-0.1 -61,-0.2 0.983 93.6-138.1 52.2 70.8 24.9 18.4 17.5 78 80 A S - 0 0 2 -63,-3.6 -66,-0.1 -66,-0.2 -2,-0.1 0.186 24.6-172.9 -47.3 176.2 22.6 16.7 20.0 79 81 A Q > - 0 0 75 -66,-0.2 3,-2.3 -65,-0.1 2,-0.4 -0.744 33.1-106.5 179.6 126.7 24.0 14.0 22.3 80 82 A P T 3 S+ 0 0 48 0, 0.0 29,-0.1 0, 0.0 27,-0.0 -0.435 109.4 53.7 -60.9 116.4 22.7 11.4 24.8 81 83 A G T 3 S+ 0 0 46 -2,-0.4 3,-0.1 3,-0.0 26,-0.0 0.013 92.7 73.2 140.3 -19.1 23.8 12.9 28.1 82 84 A D S < S+ 0 0 11 -3,-2.3 2,-0.8 1,-0.1 24,-0.1 0.280 71.4 112.7 -98.3 7.4 22.2 16.2 27.4 83 85 A S + 0 0 41 -4,-0.2 -1,-0.1 25,-0.1 2,-0.0 -0.090 42.1 94.8 -78.8 34.9 18.8 14.5 28.0 84 86 A A S S- 0 0 5 -2,-0.8 22,-3.0 -3,-0.1 2,-0.4 -0.072 83.6 -66.1-101.2-147.5 17.2 15.9 31.2 85 87 A T E -HI 36 105C 23 -49,-2.3 -49,-3.0 20,-0.3 2,-0.4 -0.869 47.3-150.0-101.0 131.6 14.6 18.7 31.8 86 88 A Y E -HI 35 104C 0 18,-3.2 18,-1.4 -2,-0.4 2,-0.5 -0.828 5.6-152.4-106.0 141.9 15.7 22.2 30.9 87 89 A F E -H 34 0C 2 -53,-3.4 -53,-2.6 -2,-0.4 2,-0.6 -0.955 5.3-155.6-121.7 129.7 14.4 25.4 32.6 88 90 A a E +H 33 0C 0 -2,-0.5 -55,-0.2 -55,-0.2 2,-0.2 -0.883 25.7 174.9 -99.8 118.8 14.1 28.9 31.2 89 91 A A - 0 0 0 -57,-1.7 2,-0.3 -2,-0.6 11,-0.2 -0.580 10.6-169.8-115.9 179.1 14.2 31.5 34.0 90 92 A A - 0 0 0 9,-0.4 9,-2.2 -59,-0.2 2,-0.3 -0.946 7.3-165.1-169.9 148.6 14.2 35.3 34.2 91 93 A S E -F 30 0C 1 -61,-2.0 -62,-2.4 -2,-0.3 -61,-1.5 -0.952 25.1-111.7-137.1 156.0 14.7 38.2 36.6 92 98 A A E -F 28 0C 9 -2,-0.3 -64,-0.2 5,-0.3 115,-0.1 -0.300 30.0-104.0 -87.4 170.1 13.9 42.0 36.4 93 99 A N S S+ 0 0 6 -66,-1.5 508,-1.9 505,-0.1 2,-0.1 0.601 111.2 71.0 -66.9 -15.7 16.0 45.2 36.2 94 100 A S S S- 0 0 9 506,-0.3 509,-0.1 -67,-0.1 113,-0.1 -0.314 112.7-101.5 -80.5-176.5 15.2 45.7 39.9 95 101 A G S S+ 0 0 5 184,-0.2 113,-0.1 -2,-0.1 -2,-0.1 0.217 71.1 145.5 -98.4 23.5 17.0 43.0 41.8 96 102 A T - 0 0 5 1,-0.1 -4,-0.2 111,-0.1 186,-0.0 -0.000 52.9 -78.7 -61.6 161.5 14.0 40.7 42.3 97 103 A Y - 0 0 21 1,-0.1 -5,-0.3 -6,-0.1 110,-0.1 -0.053 48.8 -96.6 -58.6 155.5 14.0 36.9 42.4 98 104 A Q - 0 0 1 -7,-0.1 2,-0.5 111,-0.1 -7,-0.2 -0.410 29.8-152.3 -72.6 148.2 14.2 34.6 39.4 99 105 A R - 0 0 69 -9,-2.2 -9,-0.4 -2,-0.1 54,-0.1 -0.970 12.9-158.0-127.8 114.2 11.0 33.1 38.0 100 106 A F - 0 0 19 -2,-0.5 -98,-0.5 52,-0.3 -11,-0.2 -0.081 7.5-130.1 -82.5-176.6 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