==== 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 24-JUL-08 3DX9 . COMPND 2 MOLECULE: DM1 T CELL RECEPTOR ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.K.ARCHBOLD,W.A.MACDONALD,S.GRAS,J.ROSSJOHN . 884 4 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 302 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 6 0.7 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 . 2 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 . 78 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 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 11 8 9 8 6 6 2 2 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 . 0 0 4 4 0 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 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 A 0 0 100 0, 0.0 97,-0.1 0, 0.0 87,-0.0 0.000 360.0 360.0 360.0 -55.0 25.5 -29.1 14.4 2 3 A K + 0 0 79 95,-0.2 23,-0.4 87,-0.1 2,-0.3 0.357 360.0 80.2 -96.2 -0.7 28.2 -27.8 12.1 3 4 A T - 0 0 18 20,-0.1 2,-0.4 84,-0.1 20,-0.2 -0.847 56.2-163.0-114.9 147.1 27.1 -24.2 12.3 4 5 A T B +A 22 0A 97 18,-2.6 18,-2.8 -2,-0.3 -2,-0.0 -0.996 15.1 170.3-128.7 138.1 27.5 -21.4 14.8 5 6 A Q - 0 0 20 -2,-0.4 16,-0.1 16,-0.2 95,-0.1 -0.979 41.0 -94.7-139.6 152.1 25.5 -18.2 15.1 6 8 A P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 95,-0.1 -0.436 34.3-132.1 -62.6 141.6 25.0 -15.2 17.4 7 9 A T S S- 0 0 89 1,-0.2 96,-0.8 95,-0.1 2,-0.3 0.886 84.2 -1.8 -66.7 -39.8 22.0 -16.0 19.7 8 10 A S E -e 103 0B 60 94,-0.2 2,-0.3 76,-0.1 96,-0.2 -0.980 64.3-173.2-148.5 163.9 20.6 -12.5 19.0 9 11 A M E -e 104 0B 44 94,-3.1 96,-1.9 -2,-0.3 2,-0.3 -0.962 16.4-139.4-159.6 128.9 21.4 -9.4 17.0 10 12 A D E +e 105 0B 107 -2,-0.3 2,-0.3 94,-0.2 96,-0.2 -0.651 24.0 179.9 -86.7 151.9 20.1 -5.9 16.6 11 13 A C E -e 106 0B 19 94,-2.0 96,-2.6 -2,-0.3 2,-0.4 -0.992 29.4-102.0-151.9 147.8 20.0 -4.2 13.2 12 14 A A E > -e 107 0B 21 -2,-0.3 3,-1.7 94,-0.2 2,-0.4 -0.532 41.3-102.9 -77.1 126.2 18.8 -0.8 11.9 13 15 A E T 3 S+ 0 0 55 94,-2.9 96,-0.2 -2,-0.4 65,-0.1 -0.713 96.6 7.6 -69.3 134.1 15.5 -0.4 10.1 14 16 A G T 3 S+ 0 0 46 63,-0.6 -1,-0.3 -2,-0.4 2,-0.2 -0.272 98.3 86.3-128.2 76.6 15.8 -0.1 7.2 15 17 A R S < S- 0 0 171 -3,-1.7 62,-1.9 1,-0.1 -1,-0.2 -0.585 92.6 -64.1-100.3 179.3 19.2 -0.7 5.7 16 18 A A - 0 0 35 -2,-0.2 2,-0.5 60,-0.2 -4,-0.2 -0.427 48.9-144.2 -63.1 135.1 20.4 -4.2 4.8 17 19 A A E - B 0 74A 3 57,-2.2 57,-2.5 -2,-0.1 2,-0.6 -0.925 10.0-155.7-104.0 130.2 20.7 -6.6 7.8 18 20 A N E - B 0 73A 78 -2,-0.5 55,-0.2 55,-0.2 -2,-0.0 -0.915 4.4-164.3-113.1 108.8 23.6 -9.1 7.6 19 21 A L E - B 0 72A 0 53,-2.5 53,-2.6 -2,-0.6 2,-0.3 -0.835 15.0-147.0 -96.5 119.7 23.2 -12.3 9.6 20 22 A P E - B 0 71A 47 0, 0.0 2,-0.4 0, 0.0 51,-0.2 -0.628 15.1-173.9 -92.2 148.9 26.5 -14.2 10.0 21 23 A a E - B 0 70A 1 49,-2.0 49,-2.3 -2,-0.3 2,-0.4 -0.997 11.6-151.1-139.3 130.1 27.1 -17.9 10.3 22 24 A N E +AB 4 69A 96 -18,-2.8 -18,-2.6 -2,-0.4 47,-0.2 -0.876 24.9 157.4 -99.9 133.8 30.3 -19.8 11.0 23 25 A H > + 0 0 1 45,-2.1 3,-1.1 -2,-0.4 -20,-0.1 -0.511 4.0 165.2-150.5 74.7 30.8 -23.4 9.6 24 26 A S T 3 S+ 0 0 83 1,-0.3 44,-0.1 -22,-0.1 45,-0.1 0.627 73.3 51.7 -77.9 -15.5 34.5 -24.1 9.5 25 27 A T T 3 S+ 0 0 94 -23,-0.4 -1,-0.3 43,-0.1 2,-0.2 0.017 79.6 139.7-106.2 28.8 34.3 -27.9 9.0 26 28 A I < - 0 0 13 -3,-1.1 2,-0.1 41,-0.1 -3,-0.1 -0.507 39.8-126.4 -76.1 134.8 32.0 -27.8 6.0 27 29 A S - 0 0 46 -2,-0.2 3,-0.1 4,-0.1 -1,-0.1 -0.393 21.0 -98.4 -67.6 162.3 32.5 -30.1 2.9 28 30 A G S S+ 0 0 53 1,-0.2 -2,-0.1 -2,-0.1 -1,-0.0 0.419 117.2 27.1 94.2-103.4 32.8 -30.5 -0.1 29 31 A N S S+ 0 0 103 2,-0.1 2,-0.5 63,-0.0 -1,-0.2 0.274 91.3 113.6-110.5 6.4 29.2 -31.3 -1.1 30 32 A E - 0 0 29 -3,-0.1 61,-0.3 20,-0.0 2,-0.2 -0.701 50.9-153.9 -91.2 126.5 27.4 -29.6 1.7 31 33 A Y E -F 90 0B 57 59,-3.0 59,-1.9 -2,-0.5 2,-0.4 -0.516 15.2-124.6 -87.6 161.4 25.1 -26.6 0.9 32 39 A V E -FG 89 49B 0 17,-3.0 17,-1.3 57,-0.2 2,-0.3 -0.929 28.6-169.9-106.0 137.9 24.3 -23.8 3.3 33 40 A Y E -FG 88 48B 3 55,-3.2 55,-2.8 -2,-0.4 2,-0.4 -0.969 11.6-156.0-130.2 143.7 20.7 -23.1 4.0 34 41 A W E +FG 87 47B 0 13,-2.7 12,-2.5 -2,-0.3 13,-1.3 -0.982 13.7 178.0-120.8 127.9 18.9 -20.3 5.9 35 42 A Y E -FG 86 45B 1 51,-2.8 51,-2.5 -2,-0.4 2,-0.4 -0.817 13.9-149.1-118.0 162.1 15.4 -20.6 7.4 36 43 A R E -FG 85 44B 29 8,-2.5 8,-2.8 -2,-0.3 2,-0.4 -0.991 5.6-162.3-133.1 139.7 13.4 -18.1 9.3 37 44 A Q E -F 84 0B 9 47,-3.0 47,-2.6 -2,-0.4 2,-0.4 -0.988 1.9-166.7-129.8 124.2 10.9 -18.8 12.1 38 45 A I > - 0 0 58 -2,-0.4 3,-1.6 4,-0.4 45,-0.1 -0.868 62.8 -28.9-110.7 140.2 8.3 -16.3 13.3 39 46 A H T 3 S- 0 0 116 -2,-0.4 45,-0.1 1,-0.3 335,-0.1 -0.075 117.0 -43.1 45.8-153.2 6.3 -16.9 16.5 40 47 A S T 3 S+ 0 0 53 197,-0.0 -1,-0.3 -3,-0.0 195,-0.0 0.423 108.8 126.2 -74.3 3.0 5.9 -20.6 17.2 41 48 A Q S < S- 0 0 92 -3,-1.6 266,-0.1 1,-0.2 3,-0.1 0.106 73.1 -72.8 -73.0 173.1 5.1 -21.2 13.5 42 49 A G - 0 0 21 1,-0.1 -4,-0.4 -5,-0.1 2,-0.3 -0.361 55.8-109.1 -59.2 136.5 6.7 -23.5 10.9 43 50 A P - 0 0 2 0, 0.0 261,-0.4 0, 0.0 2,-0.4 -0.577 34.0-144.4 -66.6 129.7 10.1 -22.3 9.9 44 51 A Q E -G 36 0B 90 -8,-2.8 -8,-2.5 -2,-0.3 259,-0.1 -0.816 16.2-113.3 -98.2 136.9 10.0 -20.9 6.3 45 52 A Y E +G 35 0B 49 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.377 32.6 175.2 -59.6 141.3 12.9 -21.4 3.9 46 53 A I E - 0 0 2 -12,-2.5 2,-0.3 1,-0.3 12,-0.2 0.743 53.2 -42.7-111.1 -58.2 14.7 -18.2 2.8 47 54 A I E +G 34 0B 3 -13,-1.3 -13,-2.7 11,-0.1 -1,-0.3 -0.981 52.7 177.8-169.9 157.6 17.7 -19.2 0.6 48 55 A H E +G 33 0B 24 -2,-0.3 2,-0.2 -15,-0.2 -15,-0.2 -0.952 6.9 134.2-141.4 166.7 20.6 -21.6 0.1 49 56 A G E -G 32 0B 2 -17,-1.3 -17,-3.0 -2,-0.3 3,-0.1 -0.919 41.2 -74.8-173.7-125.1 23.4 -22.9 -1.6 50 57 A L S S- 0 0 57 -2,-0.2 2,-0.2 -19,-0.2 -1,-0.1 0.999 82.2 -44.0 -83.8 -80.8 26.9 -24.2 -2.4 51 58 A K S S+ 0 0 53 2,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.636 109.1 55.0-168.2 107.8 30.0 -22.0 -2.5 52 59 A N S S- 0 0 46 -2,-0.2 11,-2.5 11,-0.2 2,-0.3 -0.793 92.5 -69.3 154.0-168.9 29.3 -18.9 -4.3 53 66 A N E -C 62 0A 106 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.960 44.7-175.9-136.3 157.9 26.7 -16.2 -3.9 54 67 A E E -C 61 0A 84 7,-2.2 7,-2.9 -2,-0.3 2,-0.3 -0.962 4.9-165.6-148.4 164.2 23.0 -16.4 -4.6 55 68 A T E +C 60 0A 98 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.991 11.3 162.2-152.5 151.1 19.8 -14.2 -4.7 56 69 A N E > -C 59 0A 60 3,-2.4 3,-0.9 -2,-0.3 -2,-0.0 -0.922 58.1 -78.9-155.0-179.5 16.0 -14.3 -4.8 57 70 A E T 3 S+ 0 0 210 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.766 127.3 47.4 -54.1 -29.2 13.0 -12.0 -4.1 58 78 A M T 3 S- 0 0 62 -12,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.726 122.1 -39.6 -90.1 -22.1 13.4 -12.7 -0.4 59 79 A A E < -C 56 0A 4 -3,-0.9 -3,-2.4 -13,-0.1 2,-0.3 -0.982 49.3-101.9 177.9 178.1 17.2 -12.2 0.2 60 80 A S E -CD 55 73A 31 13,-2.2 13,-3.0 -2,-0.3 2,-0.4 -0.942 21.8-155.8-130.0 154.5 20.8 -12.7 -0.8 61 81 A L E -CD 54 72A 0 -7,-2.9 -7,-2.2 -2,-0.3 2,-0.4 -0.972 6.2-172.6-137.8 118.1 23.5 -15.2 0.3 62 82 A I E -CD 53 71A 86 9,-2.6 9,-2.9 -2,-0.4 2,-0.4 -0.951 4.0-171.0-111.3 130.5 27.2 -14.8 0.2 63 83 A I E - D 0 70A 9 -11,-2.5 7,-0.2 -2,-0.4 -11,-0.2 -0.979 25.0-117.8-121.0 132.9 29.5 -17.7 1.1 64 84 A T - 0 0 35 5,-2.1 3,-0.1 -2,-0.4 -12,-0.0 0.001 18.3-116.0 -66.7 170.6 33.3 -17.1 1.4 65 84AA E S S+ 0 0 178 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.893 119.7 60.1 -72.3 -41.2 36.0 -18.7 -0.7 66 84BA D S S- 0 0 95 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.817 98.2-143.9 -37.1 -42.4 37.1 -20.4 2.6 67 84CA R S S+ 0 0 126 2,-0.3 -1,-0.1 -3,-0.1 -41,-0.1 0.202 75.0 109.4 77.7 -8.2 33.7 -22.0 2.7 68 85 A K S S+ 0 0 107 -44,-0.1 -45,-2.1 -46,-0.1 2,-0.3 0.481 77.6 20.0 -86.2 -3.7 34.2 -21.5 6.4 69 86 A S E -B 22 0A 34 -47,-0.2 -5,-2.1 -46,-0.1 2,-0.3 -0.975 62.0-166.7-155.8 160.1 31.6 -18.7 6.9 70 87 A S E -BD 21 63A 4 -49,-2.3 -49,-2.0 -2,-0.3 2,-0.4 -0.942 9.7-144.0-146.1 165.0 28.6 -17.2 5.2 71 88 A T E -BD 20 62A 43 -9,-2.9 -9,-2.6 -2,-0.3 2,-0.5 -0.988 4.5-152.0-137.9 128.5 26.3 -14.1 5.3 72 89 A L E -BD 19 61A 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.6 -0.848 16.5-157.0 -93.8 130.7 22.6 -13.8 4.8 73 90 A I E -BD 18 60A 35 -13,-3.0 -13,-2.2 -2,-0.5 -55,-0.2 -0.946 13.8-171.1-114.2 115.8 21.6 -10.4 3.5 74 91 A L E -B 17 0A 3 -57,-2.5 -57,-2.2 -2,-0.6 3,-0.4 -0.906 21.1-151.3-100.2 104.4 18.0 -9.0 4.0 75 92 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.660 77.9 17.7 -61.6 -32.8 18.2 -5.9 1.8 76 93 A H S S- 0 0 139 -60,-0.1 2,-0.3 -59,-0.1 -60,-0.2 -0.718 81.7-149.0-140.6 87.8 15.7 -3.5 3.4 77 94 A A + 0 0 0 -62,-1.9 -63,-0.6 -3,-0.4 2,-0.2 -0.394 21.5 175.4 -71.1 121.0 15.0 -4.6 7.0 78 95 A T > - 0 0 29 -2,-0.3 3,-1.4 -65,-0.1 4,-0.2 -0.633 49.6 -94.7-110.5 175.5 11.5 -3.8 8.2 79 96 A L G > S+ 0 0 31 1,-0.3 3,-1.9 -2,-0.2 27,-0.2 0.866 122.9 64.0 -59.0 -35.3 9.7 -4.7 11.5 80 97 A R G 3 S+ 0 0 148 1,-0.3 -1,-0.3 3,-0.0 -3,-0.1 0.716 92.4 66.0 -62.3 -21.1 8.2 -7.7 9.7 81 98 A D G < S+ 0 0 28 -3,-1.4 2,-0.5 2,-0.0 -1,-0.3 0.491 71.9 109.3 -78.9 -4.4 11.7 -9.1 9.3 82 99 A T < + 0 0 60 -3,-1.9 2,-0.3 -4,-0.2 23,-0.2 -0.640 49.1 102.9 -82.9 124.6 12.3 -9.6 13.0 83 100 A A E S- H 0 104B 14 21,-0.6 21,-2.6 -2,-0.5 2,-0.4 -0.926 76.2 -62.3-173.8-177.7 12.3 -13.3 13.7 84 101 A V E -FH 37 103B 30 -47,-2.6 -47,-3.0 -2,-0.3 2,-0.5 -0.821 44.7-159.7 -92.3 135.5 14.6 -16.3 14.4 85 102 A Y E -FH 36 102B 0 17,-4.4 17,-2.3 -2,-0.4 2,-0.5 -0.977 2.3-160.5-120.1 119.6 17.0 -17.2 11.6 86 103 A Y E -F 35 0B 5 -51,-2.5 -51,-2.8 -2,-0.5 2,-0.6 -0.886 4.3-160.6-104.0 131.5 18.5 -20.6 11.4 87 104 A a E +F 34 0B 0 -2,-0.5 2,-0.3 -53,-0.2 12,-0.2 -0.958 23.1 171.3-108.2 116.6 21.7 -21.4 9.4 88 105 A I E -F 33 0B 2 -55,-2.8 -55,-3.2 -2,-0.6 2,-0.4 -0.877 22.7-144.0-126.6 155.3 22.0 -25.1 8.6 89 106 A V E +F 32 0B 20 8,-0.3 8,-0.3 -2,-0.3 2,-0.3 -0.979 22.6 165.0-123.9 137.5 24.3 -27.2 6.5 90 107 A W E -F 31 0B 5 -59,-1.9 -59,-3.0 -2,-0.4 3,-0.1 -0.996 21.6-179.9-150.8 142.9 23.3 -30.3 4.5 91 108 A G - 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