==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 09-FEB-99 1B88 . COMPND 2 MOLECULE: T CELL RECEPTOR V-ALPHA DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR D.PLAKSIN,S.CHACKO,J.NAVAZA,D.H.MARGULIES,E.A.PADLAN . 228 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 39.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 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 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 4 4 1 3 1 0 0 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 . 2 1 1 2 0 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 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 M 0 0 184 0, 0.0 2,-0.6 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 133.6 23.2 17.0 25.3 2 2 A Q - 0 0 89 1,-0.2 24,-0.5 23,-0.0 3,-0.2 -0.649 360.0-148.5 -76.8 116.4 24.9 20.2 26.6 3 3 A Q S S- 0 0 86 -2,-0.6 23,-2.2 1,-0.2 24,-0.6 0.945 76.6 -11.2 -45.6 -71.2 24.6 20.1 30.4 4 4 A V E -A 25 0A 15 21,-0.2 2,-0.5 100,-0.2 -1,-0.2 -0.983 69.9-167.7-138.8 121.4 24.4 23.8 31.1 5 5 A R E -A 24 0A 105 19,-3.2 19,-2.0 -2,-0.4 2,-0.5 -0.964 4.4-159.4-116.3 125.5 25.1 26.3 28.4 6 6 A Q E -A 23 0A 4 -2,-0.5 17,-0.2 17,-0.2 -2,-0.0 -0.908 15.2-135.6-108.4 132.6 25.6 30.0 29.2 7 7 A S E S+A 22 0A 29 15,-1.4 15,-2.6 -2,-0.5 2,-0.2 -0.995 70.9 29.4-139.8 140.5 25.1 32.8 26.6 8 8 A P - 0 0 16 0, 0.0 120,-0.2 0, 0.0 3,-0.1 0.565 65.0-148.5 -75.9-172.0 26.6 35.2 25.8 9 9 A Q S S+ 0 0 20 118,-1.6 100,-2.3 1,-0.4 2,-0.3 0.822 79.5 1.9 -89.5 -36.4 30.2 34.5 26.6 10 10 A S E -eF 109 127B 40 117,-1.0 117,-1.6 98,-0.3 -1,-0.4 -0.976 65.7-173.6-148.2 157.6 31.0 38.2 27.4 11 11 A L E - F 0 126B 12 98,-2.2 2,-0.3 -2,-0.3 115,-0.2 -0.764 12.9-159.8-139.4-178.6 29.2 41.4 27.5 12 12 A T E + F 0 125B 24 113,-0.6 112,-1.6 -2,-0.3 113,-0.8 -0.797 21.4 172.6-168.0 122.6 29.8 45.1 28.0 13 13 A V E -m 112 0C 5 98,-2.3 100,-1.9 -2,-0.3 2,-0.1 -0.951 33.6-101.5-139.4 154.6 27.0 47.3 29.1 14 14 A W E > -m 113 0C 80 -2,-0.3 3,-2.1 98,-0.2 66,-0.1 -0.462 50.9 -87.3 -73.0 156.2 26.7 51.0 30.1 15 15 A E T 3 S+ 0 0 95 98,-2.0 66,-0.2 1,-0.3 65,-0.2 -0.203 119.0 25.2 -57.2 149.2 26.4 51.9 33.8 16 16 A G T 3 S+ 0 0 36 64,-1.3 63,-0.5 63,-0.4 -1,-0.3 0.418 95.9 131.6 73.5 -3.9 22.8 51.9 34.8 17 17 A E E < - B 0 80A 34 -3,-2.1 63,-2.7 63,-0.5 2,-0.6 -0.477 62.7-119.2 -82.6 149.9 22.0 49.4 32.1 18 18 A T E - 0 0 88 61,-0.2 2,-0.4 60,-0.2 60,-0.2 -0.821 32.2-155.3 -90.3 119.5 20.0 46.2 32.7 19 19 A A E - B 0 77A 1 58,-1.2 58,-2.1 -2,-0.6 2,-0.5 -0.826 7.1-160.0-100.2 137.1 22.2 43.2 31.8 20 20 A I E - B 0 76A 68 -2,-0.4 2,-0.6 56,-0.2 56,-0.2 -0.959 8.5-178.6-121.5 115.8 20.9 39.8 30.8 21 21 A L E - B 0 75A 0 54,-2.3 54,-2.9 -2,-0.5 2,-0.2 -0.970 19.9-152.3-110.8 118.0 23.1 36.7 31.1 22 22 A N E -AB 7 74A 62 -15,-2.6 -15,-1.4 -2,-0.6 2,-0.3 -0.597 12.3-169.7 -93.9 159.3 21.2 33.6 29.9 23 23 A a E -AB 6 73A 1 50,-3.0 50,-2.7 -17,-0.2 2,-0.4 -0.979 3.3-162.8-144.5 146.2 21.7 30.0 30.9 24 24 A S E -AB 5 72A 17 -19,-2.0 -19,-3.2 -2,-0.3 2,-0.4 -0.997 3.5-162.7-136.9 129.9 20.2 26.8 29.3 25 25 A Y E -A 4 0A 5 46,-2.2 -21,-0.2 -2,-0.4 -22,-0.2 -0.933 10.3-166.3-117.3 137.7 20.0 23.4 30.9 26 26 A E + 0 0 47 -23,-2.2 2,-0.8 -24,-0.5 -23,-0.1 0.775 68.2 79.9 -89.8 -29.8 19.5 20.1 29.1 27 27 A N > - 0 0 62 -24,-0.6 3,-2.0 1,-0.2 -1,-0.1 -0.736 59.8-160.9 -88.6 112.6 18.6 17.8 32.0 28 28 A S T 3 S+ 0 0 66 -2,-0.8 -1,-0.2 1,-0.3 43,-0.0 0.747 87.0 71.6 -58.2 -28.8 15.0 18.1 33.2 29 29 A A T 3 S+ 0 0 46 -3,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.608 70.4 111.8 -65.1 -13.5 15.9 16.5 36.5 30 30 A F < + 0 0 4 -3,-2.0 64,-0.3 1,-0.2 65,-0.1 -0.523 32.3 160.4 -66.4 113.8 17.7 19.7 37.4 31 31 A D + 0 0 66 62,-1.2 21,-1.7 -2,-0.5 2,-0.4 0.351 54.7 65.7-117.6 3.3 15.8 21.3 40.3 32 32 A Y E -GH 51 93B 28 61,-2.0 61,-2.3 19,-0.2 19,-0.2 -0.919 54.3-179.7-133.3 111.7 18.4 23.6 41.8 33 33 A F E +G 50 0B 0 17,-2.9 17,-2.6 -2,-0.4 2,-0.3 -0.877 7.9 176.9-115.9 97.4 19.8 26.6 39.9 34 34 A P E -G 49 0B 0 0, 0.0 57,-2.0 0, 0.0 2,-0.4 -0.767 15.3-149.4 -97.2 149.6 22.4 28.7 41.8 35 35 A W E -GI 48 90B 0 13,-3.3 12,-2.8 -2,-0.3 13,-1.8 -0.967 10.2-157.1-122.0 133.7 24.3 31.7 40.3 36 36 A Y E -GI 46 89B 39 53,-2.5 53,-1.5 -2,-0.4 2,-0.5 -0.714 10.8-145.0-111.0 157.0 27.8 32.7 41.3 37 37 A Q E -GI 45 88B 36 8,-2.2 8,-1.9 -2,-0.3 2,-0.5 -0.964 20.1-170.5-122.7 108.8 29.7 36.0 41.0 38 38 A Q E - I 0 87B 43 49,-3.2 49,-2.5 -2,-0.5 5,-0.1 -0.883 6.5-153.0-104.1 130.7 33.4 35.5 40.3 39 39 A F > - 0 0 56 -2,-0.5 3,-2.2 4,-0.3 47,-0.1 -0.748 39.0 -82.8-104.4 154.3 35.8 38.4 40.5 40 40 A P T 3 S+ 0 0 130 0, 0.0 46,-0.0 0, 0.0 -1,-0.0 0.444 120.9 2.7 -23.1 -28.7 39.2 39.0 38.6 41 41 A G T 3 S+ 0 0 77 -2,-0.1 2,-0.1 2,-0.1 -3,-0.0 0.301 114.3 85.4-151.2 12.4 41.3 36.8 40.9 42 42 A E S < S- 0 0 135 -3,-2.2 -4,-0.1 1,-0.1 3,-0.0 -0.151 77.7 -90.8-104.1-166.2 39.0 35.4 43.5 43 43 A G - 0 0 49 -2,-0.1 -4,-0.3 -6,-0.1 2,-0.2 -0.813 51.8 -84.1-109.2 154.8 36.8 32.3 43.8 44 44 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.387 41.4-156.3 -62.8 125.5 33.1 32.2 42.8 45 45 A A E -G 37 0B 57 -8,-1.9 -8,-2.2 -2,-0.2 2,-0.3 -0.883 28.3-107.3-106.7 127.2 30.7 33.4 45.5 46 46 A L E +G 36 0B 87 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.355 42.7 176.5 -55.8 110.8 27.0 32.2 45.5 47 47 A L E - 0 0 33 -12,-2.8 2,-0.3 1,-0.4 -11,-0.2 0.803 57.0 -31.6 -88.6 -40.0 25.3 35.4 44.3 48 48 A I E -G 35 0B 18 -13,-1.8 -13,-3.3 2,-0.0 -1,-0.4 -0.930 59.7-165.5-175.8 158.1 21.7 34.2 44.1 49 49 A S E -G 34 0B 33 -2,-0.3 2,-0.3 -15,-0.3 15,-0.1 -0.966 5.7-158.4-153.2 166.9 19.7 31.1 43.3 50 50 A I E -G 33 0B 0 -17,-2.6 -17,-2.9 -2,-0.3 2,-0.2 -0.987 14.3-133.2-149.8 151.9 16.3 29.6 42.4 51 51 A L E -G 32 0B 60 -2,-0.3 3,-0.5 -19,-0.2 -19,-0.2 -0.652 33.0-107.8-101.8 164.6 14.5 26.2 42.6 52 52 A S S S+ 0 0 31 -21,-1.7 16,-0.2 1,-0.2 -20,-0.1 0.695 118.9 58.2 -65.2 -21.0 12.5 24.6 39.8 53 53 A V S S+ 0 0 126 -22,-0.3 2,-0.3 15,-0.0 -1,-0.2 0.879 102.2 59.5 -75.5 -38.4 9.3 25.4 41.8 54 54 A S - 0 0 36 -3,-0.5 3,-0.1 1,-0.1 -4,-0.0 -0.668 60.3-173.5 -89.7 145.2 10.0 29.1 41.8 55 55 A N + 0 0 110 -2,-0.3 11,-2.3 1,-0.1 2,-0.3 0.222 69.2 35.3-124.5 16.3 10.3 30.9 38.4 56 56 A K - 0 0 121 9,-0.2 2,-0.3 2,-0.0 9,-0.2 -0.961 61.0-175.1-160.4 156.1 11.4 34.3 39.6 57 57 A K - 0 0 61 7,-0.5 7,-1.1 -2,-0.3 2,-0.5 -0.898 10.0-157.0-165.1 132.1 13.6 35.7 42.4 58 58 A E B +C 63 0A 169 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.949 24.1 157.4-116.2 123.1 14.5 39.1 43.8 59 59 A D S S- 0 0 103 3,-1.6 -1,-0.1 -2,-0.5 2,-0.1 0.687 79.4 -70.3-104.1 -37.0 17.7 39.8 45.9 60 60 A G S S- 0 0 34 2,-0.6 3,-0.1 0, 0.0 -2,-0.0 -0.071 114.5 -2.9 141.2 112.5 17.6 43.5 45.0 61 61 A R S S+ 0 0 88 1,-0.1 17,-0.4 -2,-0.1 2,-0.3 0.811 117.5 98.5 49.4 35.9 18.5 44.6 41.5 62 62 A F + 0 0 13 15,-0.2 -3,-1.6 -5,-0.0 -2,-0.6 -0.928 49.6 175.7-151.9 118.7 19.1 40.9 40.8 63 63 A T E -CD 58 76A 27 13,-1.8 13,-2.8 -2,-0.3 2,-0.6 -0.992 18.9-161.0-137.3 132.4 16.5 38.6 39.2 64 64 A I E - D 0 75A 0 -7,-1.1 2,-0.5 -2,-0.4 -7,-0.5 -0.944 13.3-160.8-106.7 118.2 16.6 35.1 38.1 65 65 A F E - D 0 74A 72 9,-2.7 9,-1.8 -2,-0.6 2,-0.5 -0.924 9.4-164.5-100.0 129.3 13.9 34.3 35.6 66 66 A F E + D 0 73A 6 -11,-2.3 2,-0.9 -2,-0.5 7,-0.2 -0.911 16.8 179.9-125.1 108.4 13.3 30.6 35.4 67 67 A N E >> + D 0 72A 45 5,-2.7 5,-2.3 -2,-0.5 4,-1.4 -0.811 3.0 178.4-104.4 91.0 11.3 29.0 32.6 68 68 A K T 45S+ 0 0 92 -2,-0.9 -1,-0.2 3,-0.2 5,-0.1 0.781 74.6 66.7 -63.2 -27.6 11.3 25.3 33.4 69 69 A R T 45S+ 0 0 195 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.978 114.9 25.8 -56.0 -61.8 9.2 24.5 30.4 70 70 A E T 45S- 0 0 102 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.638 108.9-121.0 -76.9 -16.3 11.9 25.5 27.9 71 71 A K T <5 + 0 0 47 -4,-1.4 -46,-2.2 1,-0.3 2,-0.4 0.845 66.3 144.3 73.6 35.3 14.6 24.7 30.4 72 72 A K E < +BD 24 67A 96 -5,-2.3 -5,-2.7 -48,-0.2 2,-0.3 -0.863 25.4 176.8-109.0 145.9 15.7 28.3 30.1 73 73 A L E -BD 23 66A 1 -50,-2.7 -50,-3.0 -2,-0.4 2,-0.3 -0.955 3.1-175.8-144.2 154.6 17.1 30.5 32.8 74 74 A S E -BD 22 65A 18 -9,-1.8 -9,-2.7 -2,-0.3 2,-0.5 -0.953 18.1-145.0-160.7 138.1 18.5 34.1 33.0 75 75 A L E -BD 21 64A 0 -54,-2.9 -54,-2.3 -2,-0.3 2,-0.6 -0.895 15.1-161.1-104.5 125.4 20.1 36.6 35.5 76 76 A H E -BD 20 63A 34 -13,-2.8 -13,-1.8 -2,-0.5 2,-1.0 -0.941 4.1-159.7-110.4 118.9 19.2 40.2 35.1 77 77 A I E > -B 19 0A 0 -58,-2.1 -58,-1.2 -2,-0.6 3,-0.8 -0.769 20.1-151.9 -98.5 86.0 21.6 42.7 36.8 78 78 A A E 3 S+ 0 0 33 -2,-1.0 3,-0.3 -17,-0.4 -60,-0.2 -0.255 73.5 9.7 -61.2 142.8 19.5 45.8 37.1 79 79 A D E 3 S- 0 0 98 -63,-0.5 -63,-0.4 1,-0.2 -1,-0.2 0.891 91.7-137.0 53.7 45.0 21.2 49.2 37.1 80 80 A S E < -B 17 0A 0 -63,-2.7 -64,-1.3 -3,-0.8 -63,-0.5 -0.008 19.3-156.5 -38.3 91.7 24.4 47.5 36.1 81 81 A Q > - 0 0 95 -3,-0.3 3,-2.7 -66,-0.2 4,-0.1 -0.583 26.4-116.4 -71.3 141.6 26.7 49.4 38.5 82 82 A P G > S+ 0 0 49 0, 0.0 3,-1.0 0, 0.0 30,-0.4 0.667 114.3 70.5 -56.7 -14.1 30.3 49.3 37.1 83 83 A G G 3 S+ 0 0 35 1,-0.2 -3,-0.1 28,-0.1 30,-0.0 0.712 81.6 71.4 -74.5 -20.3 31.1 47.3 40.3 84 84 A D G < + 0 0 11 -3,-2.7 2,-1.1 -7,-0.1 -1,-0.2 0.387 64.6 128.9 -75.3 1.5 29.2 44.3 38.9 85 85 A S < + 0 0 38 -3,-1.0 2,-0.3 27,-0.2 26,-0.2 -0.468 41.0 109.7 -62.5 98.7 32.0 43.8 36.4 86 86 A A S S- 0 0 6 -2,-1.1 24,-2.4 24,-0.1 2,-0.5 -0.965 75.3 -89.0-161.8 171.3 32.6 40.1 37.0 87 87 A T E -IJ 38 109B 41 -49,-2.5 -49,-3.2 -2,-0.3 2,-0.5 -0.805 42.7-153.4 -91.0 128.9 32.3 36.7 35.5 88 88 A Y E -IJ 37 108B 0 20,-2.5 20,-2.1 -2,-0.5 2,-0.4 -0.933 5.1-154.8-110.4 131.2 28.9 35.2 36.4 89 89 A F E -I 36 0B 31 -53,-1.5 -53,-2.5 -2,-0.5 2,-0.4 -0.844 5.5-155.1-108.5 138.8 28.4 31.4 36.6 90 90 A a E +I 35 0B 0 -2,-0.4 15,-3.6 -55,-0.2 2,-0.3 -0.880 20.1 178.8-107.4 134.7 25.2 29.5 36.1 91 91 A A E - K 0 104B 0 -57,-2.0 2,-0.3 -2,-0.4 13,-0.2 -0.870 9.5-167.9-131.7 163.6 25.1 26.2 37.8 92 92 A A E - 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