==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 16-MAY-07 2PYF . COMPND 2 MOLECULE: T-CELL RECEPTOR, ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SAMI,P.J.RIZKALLAH,S.DUNN,Y.LI,R.MOYSEY,A.VUIDEPOT,E.BASTO . 446 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 37.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 39 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 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 5 7 4 2 3 4 2 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 2 1 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 K 0 0 239 0, 0.0 25,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.5 -22.6 19.6 9.6 2 2 A Q + 0 0 36 24,-0.1 2,-0.3 23,-0.1 23,-0.0 0.028 360.0 172.0 -42.4 139.5 -21.2 16.1 9.1 3 3 A E - 0 0 125 100,-0.1 23,-1.5 2,-0.0 2,-0.4 -0.907 13.3-159.4-155.5 120.1 -20.7 13.8 12.2 4 4 A V E -A 25 0A 12 100,-0.4 2,-0.4 -2,-0.3 102,-0.3 -0.909 7.4-175.1-112.4 131.1 -19.8 10.1 12.0 5 5 A T E -A 24 0A 81 19,-2.2 19,-2.5 -2,-0.4 2,-0.4 -0.969 8.0-156.9-124.8 136.2 -20.4 7.5 14.7 6 6 A Q E -A 23 0A 14 -2,-0.4 17,-0.2 17,-0.2 100,-0.1 -0.938 18.3-128.0-115.9 135.7 -19.2 3.9 14.8 7 7 A I E S+A 22 0A 108 15,-1.4 15,-2.0 -2,-0.4 2,-0.1 -0.993 79.9 31.1-137.4 142.2 -20.8 1.1 16.8 8 8 A P - 0 0 52 0, 0.0 3,-0.2 0, 0.0 14,-0.1 0.630 65.9-156.7 -77.5 167.0 -19.9 -0.9 18.7 9 9 A A S S+ 0 0 74 1,-0.3 100,-3.1 99,-0.2 2,-0.4 0.810 86.5 16.0 -74.6 -31.6 -16.9 1.0 20.2 10 10 A A E S-e 109 0B 70 98,-0.3 2,-0.4 77,-0.1 -1,-0.3 -0.990 72.0-171.0-144.2 131.5 -15.4 -2.3 21.1 11 11 A L E -e 110 0B 43 98,-3.0 100,-1.8 -2,-0.4 2,-0.5 -0.991 3.6-170.8-129.6 129.8 -16.3 -5.7 19.9 12 12 A S E +e 111 0B 77 -2,-0.4 100,-0.2 98,-0.2 98,-0.1 -0.983 20.0 163.2-119.5 124.4 -15.0 -9.1 21.2 13 13 A V E -e 112 0B 6 98,-2.6 100,-2.8 -2,-0.5 2,-0.3 -0.992 38.8-111.4-145.3 149.7 -15.9 -12.2 19.2 14 14 A P E > -e 113 0B 67 0, 0.0 3,-1.3 0, 0.0 66,-0.2 -0.611 48.5-100.2 -77.8 138.7 -14.8 -15.9 18.8 15 15 A E T 3 S+ 0 0 48 98,-2.3 66,-0.2 -2,-0.3 3,-0.1 -0.166 104.8 44.0 -58.1 152.7 -13.1 -16.7 15.5 16 16 A G T 3 S+ 0 0 51 64,-2.0 63,-0.3 1,-0.4 -1,-0.2 -0.054 89.5 109.5 101.2 -29.6 -15.1 -18.4 12.7 17 17 A E S < S- 0 0 100 -3,-1.3 63,-2.3 62,-0.2 -1,-0.4 -0.488 72.8-117.6 -79.3 148.8 -18.0 -16.1 13.3 18 18 A N - 0 0 117 61,-0.2 2,-0.3 -2,-0.2 60,-0.2 -0.547 31.6-143.4 -80.9 152.0 -18.9 -13.4 10.8 19 19 A L E - B 0 77A 7 58,-2.9 58,-2.2 -2,-0.2 2,-0.4 -0.904 10.4-158.2-122.3 150.7 -18.7 -9.8 12.1 20 20 A V E - B 0 76A 70 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.986 8.1-175.3-130.7 121.7 -20.7 -6.7 11.4 21 21 A L E - B 0 75A 0 54,-2.6 54,-3.0 -2,-0.4 2,-0.4 -0.956 11.9-152.7-116.5 135.3 -19.4 -3.1 11.9 22 22 A N E -AB 7 74A 63 -15,-2.0 -15,-1.4 -2,-0.4 2,-0.4 -0.845 13.6-177.6-112.0 143.4 -21.6 -0.1 11.5 23 23 A a E -AB 6 73A 0 50,-2.6 50,-3.2 -2,-0.4 2,-0.3 -0.932 9.8-172.3-139.5 112.0 -20.8 3.5 10.6 24 24 A S E -AB 5 72A 50 -19,-2.5 -19,-2.2 -2,-0.4 2,-0.4 -0.811 1.1-169.3-106.8 148.8 -23.5 6.1 10.5 25 25 A F E -A 4 0A 7 46,-3.4 -21,-0.2 -2,-0.3 -23,-0.1 -0.999 23.0-138.4-139.8 138.5 -23.2 9.6 9.2 26 26 A T S S+ 0 0 82 -23,-1.5 2,-0.7 -2,-0.4 -1,-0.1 0.824 89.5 60.0 -64.4 -38.0 -25.6 12.6 9.5 27 27 A D - 0 0 72 1,-0.1 -1,-0.1 -24,-0.1 44,-0.1 -0.865 59.4-168.0-102.6 117.3 -25.2 13.9 5.9 28 28 A S + 0 0 55 -2,-0.7 2,-1.8 1,-0.2 -1,-0.1 0.640 69.6 93.5 -73.0 -16.3 -26.1 11.5 3.1 29 29 A A + 0 0 46 40,-0.1 66,-1.3 42,-0.0 67,-0.4 -0.552 57.0 139.5 -80.7 78.6 -24.5 13.8 0.6 30 30 A I E -F 94 0B 1 -2,-1.8 3,-0.1 64,-0.2 38,-0.0 -0.932 52.2-146.4-123.8 146.8 -21.0 12.2 0.5 31 31 A Y E S- 0 0 62 62,-3.3 21,-2.1 -2,-0.3 2,-0.3 0.917 80.5 -19.2 -74.8 -45.1 -18.7 11.6 -2.4 32 32 A N E -FG 93 51B 5 61,-0.7 61,-2.0 19,-0.2 2,-0.4 -0.992 52.2-133.6-160.9 161.0 -17.4 8.3 -0.8 33 33 A L E -FG 92 50B 0 17,-2.3 17,-3.2 -2,-0.3 2,-0.4 -0.940 23.7-167.2-118.1 139.6 -16.9 6.3 2.3 34 34 A Q E -FG 91 49B 8 57,-2.8 57,-2.2 -2,-0.4 2,-0.4 -0.996 8.7-150.6-135.7 135.8 -13.6 4.6 3.2 35 35 A W E -FG 90 48B 0 13,-2.7 12,-3.2 -2,-0.4 13,-0.9 -0.877 16.5-172.2-105.8 138.5 -12.7 2.0 5.8 36 36 A F E -FG 89 46B 1 53,-2.9 53,-1.7 -2,-0.4 2,-0.4 -0.850 15.2-145.4-126.0 161.7 -9.3 1.8 7.4 37 37 A R E -FG 88 45B 52 8,-2.2 8,-3.7 -2,-0.3 2,-0.4 -0.995 13.9-170.5-128.9 131.8 -7.5 -0.6 9.7 38 38 A Q E -FG 87 44B 20 49,-2.4 49,-2.2 -2,-0.4 6,-0.2 -0.981 5.6-161.6-129.6 123.9 -5.1 0.5 12.3 39 39 A D > - 0 0 60 4,-0.7 3,-2.4 -2,-0.4 47,-0.1 -0.791 43.5 -86.4 -99.8 143.0 -2.8 -1.8 14.4 40 40 A P T 3 S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.208 116.6 13.5 -49.8 131.2 -1.2 -0.5 17.6 41 41 A G T 3 S+ 0 0 52 1,-0.3 2,-0.2 -3,-0.0 272,-0.1 0.453 118.6 87.4 80.0 2.2 2.0 1.4 16.9 42 42 A K S < S- 0 0 133 -3,-2.4 -1,-0.3 1,-0.2 268,-0.1 -0.689 74.9-108.4-124.3 177.1 1.2 1.5 13.2 43 43 A G - 0 0 12 -2,-0.2 -4,-0.7 -3,-0.1 2,-0.5 0.081 48.0 -67.8 -89.6-158.6 -0.8 3.8 10.8 44 44 A L E -G 38 0B 10 265,-0.7 264,-0.5 -6,-0.2 2,-0.5 -0.873 39.6-156.7-103.5 127.0 -4.0 3.4 8.9 45 45 A T E -G 37 0B 89 -8,-3.7 -8,-2.2 -2,-0.5 2,-0.2 -0.875 21.7-122.1-103.4 128.4 -4.4 0.8 6.2 46 46 A S E +G 36 0B 36 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.501 33.7 170.8 -69.8 132.1 -7.1 1.3 3.6 47 47 A L E - 0 0 33 -12,-3.2 2,-0.3 1,-0.4 -11,-0.2 0.813 61.6 -10.1-104.1 -59.2 -9.5 -1.6 3.4 48 48 A L E -G 35 0B 7 -13,-0.9 -13,-2.7 15,-0.0 2,-0.4 -0.989 48.4-157.9-146.0 152.2 -12.3 -0.5 1.1 49 49 A L E -G 34 0B 20 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.994 13.0-162.1-132.1 123.7 -13.6 2.7 -0.6 50 50 A I E -G 33 0B 0 -17,-3.2 -17,-2.3 -2,-0.4 2,-0.1 -0.932 12.3-138.8-112.6 126.5 -17.2 3.0 -1.7 51 51 A Q E >> -G 32 0B 37 -2,-0.5 3,-0.8 -19,-0.2 4,-0.6 -0.395 28.7-110.5 -73.7 158.0 -18.3 5.6 -4.2 52 52 A S T 34 S+ 0 0 21 -21,-2.1 2,-1.0 1,-0.3 3,-0.5 0.956 115.8 41.5 -53.4 -55.2 -21.6 7.3 -3.5 53 53 A S T 34 S+ 0 0 95 -22,-0.2 -1,-0.3 1,-0.2 -2,-0.1 -0.524 98.8 74.6 -96.9 66.1 -23.3 5.6 -6.4 54 54 A Q T <4 - 0 0 126 -2,-1.0 2,-1.9 -3,-0.8 -1,-0.2 0.489 63.9-164.5-139.3 -36.4 -22.0 2.0 -6.1 55 55 A R < + 0 0 195 -4,-0.6 11,-1.4 -3,-0.5 2,-0.3 -0.378 66.7 43.3 80.5 -62.5 -23.8 0.4 -3.1 56 56 A E E +C 65 0A 69 -2,-1.9 2,-0.3 9,-0.2 9,-0.2 -0.815 54.7 177.5-118.7 157.5 -21.5 -2.6 -2.6 57 57 A Q E -C 64 0A 83 7,-1.3 7,-2.9 -2,-0.3 2,-0.3 -0.859 12.0-163.5-159.9 121.4 -17.7 -3.1 -2.6 58 58 A T E +C 63 0A 76 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.732 19.5 173.1-111.4 158.2 -15.8 -6.4 -1.9 59 59 A S E > -C 62 0A 63 3,-2.2 3,-1.4 -2,-0.3 2,-0.7 -0.384 67.5 -72.8-160.3 68.0 -12.2 -7.4 -0.9 60 60 A G T 3 S- 0 0 69 1,-0.3 -1,-0.2 0, 0.0 18,-0.0 -0.676 121.3 -2.0 79.4-111.2 -12.1 -11.1 -0.1 61 61 A R T 3 S+ 0 0 100 -2,-0.7 17,-2.1 -3,-0.1 2,-0.6 0.578 119.8 90.3 -87.4 -13.3 -13.7 -11.6 3.3 62 62 A L E < +CD 59 77A 23 -3,-1.4 -3,-2.2 15,-0.2 2,-0.4 -0.781 51.9 172.6 -89.7 119.6 -14.3 -7.8 3.6 63 63 A N E -CD 58 76A 50 13,-2.5 13,-3.4 -2,-0.6 2,-0.4 -0.997 9.2-168.4-127.8 126.7 -17.6 -6.7 2.1 64 64 A A E -CD 57 75A 0 -7,-2.9 -7,-1.3 -2,-0.4 2,-0.3 -0.966 2.4-171.9-122.1 133.8 -18.9 -3.2 2.6 65 65 A S E -CD 56 74A 25 9,-2.1 9,-1.5 -2,-0.4 2,-0.3 -0.786 4.4-160.5-117.0 162.4 -22.3 -1.8 1.9 66 66 A L E - D 0 73A 7 -11,-1.4 2,-0.7 -2,-0.3 7,-0.2 -0.948 12.2-168.8-150.3 123.4 -23.6 1.8 1.9 67 67 A D E >> - D 0 72A 90 5,-2.6 4,-2.0 -2,-0.3 5,-1.7 -0.898 9.9-176.9-111.1 96.1 -27.2 3.1 2.1 68 68 A K T 45S+ 0 0 106 -2,-0.7 -1,-0.2 -16,-0.2 -15,-0.0 0.905 78.8 56.6 -61.6 -43.4 -26.8 6.8 1.2 69 69 A S T 45S+ 0 0 113 1,-0.2 -1,-0.2 -3,-0.1 -41,-0.1 0.934 114.4 37.7 -55.1 -51.3 -30.5 7.6 1.8 70 70 A S T 45S- 0 0 76 2,-0.1 -1,-0.2 -42,-0.1 -2,-0.2 0.811 110.7-124.6 -71.0 -30.6 -30.4 6.3 5.4 71 71 A G T <5 + 0 0 5 -4,-2.0 -46,-3.4 1,-0.3 2,-0.3 0.885 67.9 104.4 87.4 45.7 -26.9 7.7 6.0 72 72 A S E < -BD 24 67A 41 -5,-1.7 -5,-2.6 -48,-0.3 2,-0.3 -0.996 45.6-160.6-157.3 150.9 -25.0 4.6 7.1 73 73 A S E -BD 23 66A 1 -50,-3.2 -50,-2.6 -2,-0.3 2,-0.4 -0.883 10.0-149.0-128.0 159.7 -22.6 1.9 6.0 74 74 A T E -BD 22 65A 25 -9,-1.5 -9,-2.1 -2,-0.3 2,-0.6 -0.996 4.4-149.7-136.4 131.1 -21.7 -1.6 7.2 75 75 A L E -BD 21 64A 0 -54,-3.0 -54,-2.6 -2,-0.4 2,-0.6 -0.883 14.4-161.4 -99.8 121.3 -18.5 -3.5 7.1 76 76 A Y E -BD 20 63A 97 -13,-3.4 -13,-2.5 -2,-0.6 2,-0.6 -0.920 6.0-170.7-105.9 122.7 -18.9 -7.2 6.9 77 77 A I E -BD 19 62A 1 -58,-2.2 -58,-2.9 -2,-0.6 3,-0.4 -0.947 16.4-149.1-112.9 108.5 -16.0 -9.4 7.9 78 78 A A - 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