==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 02-APR-10 3MFF . COMPND 2 MOLECULE: T CELL RECEPTOR ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.I.VAN BOXEL,S.HOLMES,L.FUGGER,E.Y.JONES . 874 7 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 546 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 318 36.4 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 . 4 0.5 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-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 . 79 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 2.2 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 2 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 . 9 6 13 8 5 12 4 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 . 2 2 3 4 4 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 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 11 A Q 0 0 125 0, 0.0 23,-1.8 0, 0.0 24,-0.5 0.000 360.0 360.0 360.0 128.5 35.5 -21.7 69.9 2 12 A V E -A 23 0A 7 98,-0.3 2,-0.4 21,-0.2 100,-0.4 -0.998 360.0-163.5-116.9 126.8 35.1 -22.0 73.7 3 13 A R E -A 22 0A 159 19,-3.3 19,-1.7 -2,-0.4 2,-0.3 -0.956 5.5-169.5-118.9 128.9 32.8 -24.8 74.6 4 14 A Q E -A 21 0A 32 -2,-0.4 17,-0.3 17,-0.2 98,-0.1 -0.823 15.5-122.8-111.9 153.5 31.2 -25.3 78.1 5 15 A S E S+A 20 0A 58 15,-1.9 15,-2.1 -2,-0.3 2,-0.1 -0.985 74.6 24.8-148.0 150.1 29.3 -28.2 79.6 6 16 A P - 0 0 49 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.724 63.8-142.4 -75.5 170.4 26.6 -28.8 80.8 7 17 A Q S S- 0 0 146 1,-0.2 98,-2.2 97,-0.2 2,-0.3 0.796 88.2 -2.3 -58.7 -33.2 24.2 -26.1 79.4 8 18 A S E -e 105 0B 52 96,-0.3 2,-0.3 77,-0.0 -1,-0.2 -0.976 66.2-167.9-160.6 156.7 22.6 -26.1 82.9 9 19 A L E -e 106 0B 52 96,-2.7 98,-2.3 -2,-0.3 2,-0.4 -0.992 10.0-151.9-153.5 137.8 23.0 -27.9 86.2 10 20 A T E +e 107 0B 59 -2,-0.3 2,-0.3 96,-0.2 98,-0.2 -0.983 24.9 171.8-120.5 131.8 21.0 -28.2 89.4 11 21 A V E -e 108 0B 10 96,-2.6 98,-3.1 -2,-0.4 2,-0.4 -0.806 29.7-113.8-135.3 162.2 22.8 -28.9 92.7 12 22 A W E > -e 109 0B 77 -2,-0.3 3,-2.3 96,-0.2 66,-0.2 -0.843 44.5 -92.1-100.7 143.8 22.1 -29.0 96.5 13 23 A E T 3 S+ 0 0 46 96,-2.5 66,-0.2 -2,-0.4 65,-0.1 -0.279 115.6 30.3 -46.1 134.0 23.6 -26.6 98.9 14 24 A G T 3 S+ 0 0 40 64,-2.3 63,-0.7 1,-0.3 -1,-0.2 -0.063 94.7 115.1 101.5 -29.5 26.8 -28.1 100.2 15 25 A E S < S- 0 0 94 -3,-2.3 63,-2.6 62,-0.2 2,-0.5 -0.239 71.4-107.7 -74.6 160.3 27.7 -30.1 97.1 16 26 A T - 0 0 75 61,-0.2 2,-0.4 60,-0.2 60,-0.2 -0.796 29.7-152.1 -86.0 124.2 30.7 -29.5 94.8 17 27 A T E - B 0 75A 0 58,-2.7 58,-2.6 -2,-0.5 2,-0.5 -0.827 8.6-166.4 -94.3 134.4 29.8 -27.9 91.5 18 28 A I E - B 0 74A 78 -2,-0.4 2,-0.5 56,-0.2 56,-0.2 -0.994 1.1-168.1-123.6 123.0 32.1 -28.7 88.6 19 29 A L E - B 0 73A 0 54,-3.0 54,-2.3 -2,-0.5 2,-0.3 -0.958 12.2-147.5-115.8 121.6 31.8 -26.6 85.5 20 30 A N E +AB 5 72A 73 -15,-2.1 -15,-1.9 -2,-0.5 2,-0.3 -0.633 19.1 171.9 -96.1 148.0 33.6 -27.8 82.3 21 31 A a E -AB 4 71A 5 50,-2.0 50,-2.0 -17,-0.3 2,-0.3 -0.973 4.9-179.8-147.5 152.1 35.2 -25.8 79.5 22 32 A S E -AB 3 70A 39 -19,-1.7 -19,-3.3 -2,-0.3 2,-0.3 -0.977 8.9-156.6-152.6 154.2 37.3 -26.6 76.4 23 33 A Y E -A 2 0A 13 46,-1.5 -21,-0.2 -2,-0.3 -2,-0.0 -0.991 16.2-154.8-141.0 144.6 38.9 -24.5 73.6 24 34 A E S S+ 0 0 74 -23,-1.8 2,-0.8 -2,-0.3 -22,-0.1 0.697 75.5 82.1 -86.8 -25.0 40.1 -25.1 70.0 25 35 A N > - 0 0 62 -24,-0.5 3,-1.6 1,-0.1 -1,-0.1 -0.751 57.2-165.8 -92.3 110.3 42.7 -22.3 69.7 26 36 A S T 3 S+ 0 0 94 -2,-0.8 -1,-0.1 1,-0.3 43,-0.0 0.404 84.0 73.8 -77.3 6.7 46.0 -23.3 71.2 27 37 A A T 3 + 0 0 42 65,-0.1 67,-0.4 67,-0.0 66,-0.3 0.376 69.2 110.3 -97.0 -1.1 47.0 -19.6 71.1 28 38 A F < + 0 0 5 -3,-1.6 64,-0.3 64,-0.2 3,-0.1 -0.573 34.2 163.8 -69.0 138.0 44.6 -18.8 74.0 29 39 A D + 0 0 52 62,-2.9 21,-2.9 1,-0.3 2,-0.4 0.353 55.4 56.9-138.7 1.1 46.7 -17.9 77.1 30 40 A Y E -FG 49 91B 18 61,-2.0 61,-2.1 19,-0.3 -1,-0.3 -0.994 55.5-175.1-143.6 129.5 44.3 -16.2 79.4 31 41 A F E +F 48 0B 1 17,-2.9 17,-1.2 -2,-0.4 2,-0.3 -0.788 5.9 178.1-134.7 87.0 41.0 -17.7 80.7 32 42 A P E -F 47 0B 0 0, 0.0 57,-2.0 0, 0.0 2,-0.4 -0.682 18.2-144.2 -88.4 148.0 38.6 -15.6 82.9 33 43 A W E -FH 46 88B 0 13,-3.3 12,-3.1 -2,-0.3 13,-1.3 -0.939 11.8-154.6-107.9 131.6 35.3 -16.8 84.2 34 44 A Y E -FH 44 87B 1 53,-2.6 53,-2.9 -2,-0.4 2,-0.5 -0.888 2.9-150.5-108.0 137.6 32.4 -14.4 84.4 35 45 A Q E -FH 43 86B 23 8,-3.5 8,-1.7 -2,-0.4 2,-0.5 -0.926 9.6-169.1-111.6 127.3 29.5 -14.8 86.9 36 46 A Q E - H 0 85B 13 49,-2.5 49,-2.3 -2,-0.5 3,-0.1 -0.928 5.5-158.8-123.0 106.4 26.0 -13.4 86.0 37 47 A F > - 0 0 62 -2,-0.5 3,-2.0 4,-0.5 47,-0.2 -0.436 43.7 -75.9 -76.1 155.2 23.4 -13.3 88.7 38 48 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.240 117.8 7.7 -55.0 133.9 19.7 -13.2 87.6 39 49 A G T 3 S+ 0 0 75 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.539 115.8 96.8 71.2 8.3 18.6 -9.7 86.4 40 50 A E S < S- 0 0 106 -3,-2.0 -1,-0.2 1,-0.0 260,-0.1 -0.792 77.3-102.6-120.9 166.1 22.2 -8.5 86.5 41 51 A G - 0 0 12 -2,-0.3 -4,-0.5 258,-0.2 -6,-0.1 -0.480 50.5 -88.2 -79.1 156.9 25.1 -8.1 84.0 42 52 A P - 0 0 3 0, 0.0 257,-0.7 0, 0.0 2,-0.4 -0.256 43.6-159.8 -63.0 154.9 28.0 -10.6 84.0 43 53 A A E -F 35 0B 48 -8,-1.7 -8,-3.5 255,-0.1 2,-0.1 -0.999 26.3-102.4-140.9 137.9 31.0 -9.9 86.4 44 54 A L E +F 34 0B 45 253,-0.5 -10,-0.2 -2,-0.4 3,-0.1 -0.380 42.5 169.7 -57.8 126.1 34.6 -11.1 86.4 45 55 A L E - 0 0 36 -12,-3.1 2,-0.3 1,-0.4 -11,-0.2 0.823 57.2 -22.5-106.9 -46.6 34.9 -13.9 89.0 46 56 A I E -F 33 0B 9 -13,-1.3 -13,-3.3 2,-0.0 -1,-0.4 -0.941 56.0-164.9-173.0 145.2 38.3 -15.6 88.7 47 57 A A E -F 32 0B 22 -2,-0.3 2,-0.3 -15,-0.3 15,-0.1 -0.953 1.6-164.1-142.1 154.4 40.9 -16.0 86.0 48 58 A I E -F 31 0B 7 -17,-1.2 -17,-2.9 -2,-0.3 2,-0.3 -0.948 17.5-127.3-136.9 156.1 43.9 -18.1 85.2 49 59 A R E > -F 30 0B 121 -2,-0.3 3,-2.4 -19,-0.2 -19,-0.3 -0.794 25.9-115.3-102.9 148.0 46.9 -17.9 82.8 50 60 A S T 3 S+ 0 0 18 -21,-2.9 16,-0.1 -2,-0.3 -20,-0.1 0.750 114.1 65.3 -43.0 -34.4 48.1 -20.6 80.3 51 61 A V T 3 S+ 0 0 138 -22,-0.3 2,-0.3 15,-0.0 -1,-0.3 0.532 98.7 64.8 -72.9 -5.1 51.3 -20.8 82.3 52 62 A S < - 0 0 55 -3,-2.4 3,-0.1 1,-0.1 -4,-0.0 -0.914 58.1-162.9-126.5 143.8 49.5 -22.1 85.4 53 63 A D S S+ 0 0 118 -2,-0.3 11,-3.3 1,-0.2 2,-0.3 0.577 78.3 32.9-101.2 -11.8 47.5 -25.4 86.0 54 64 A K E -C 63 0A 95 9,-0.3 2,-0.4 2,-0.0 9,-0.2 -0.967 55.5-173.5-149.8 126.9 45.5 -24.4 89.2 55 65 A K E -C 62 0A 87 7,-3.1 7,-2.3 -2,-0.3 2,-0.4 -0.989 12.1-168.2-122.4 125.0 44.0 -21.1 90.4 56 66 A E E +C 61 0A 115 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.924 19.4 162.1-117.3 134.8 42.4 -20.9 93.9 57 67 A D E > -C 60 0A 96 3,-2.8 3,-1.9 -2,-0.4 2,-0.3 -0.663 65.9 -74.4-149.0 86.3 40.2 -18.2 95.4 58 68 A G T 3 S- 0 0 37 1,-0.3 -1,-0.2 -2,-0.2 18,-0.1 -0.426 117.7 -0.8 63.3-118.7 38.3 -19.4 98.4 59 69 A R T 3 S+ 0 0 35 -2,-0.3 17,-2.2 430,-0.1 2,-0.4 0.631 123.3 80.7 -78.6 -13.1 35.4 -21.7 97.4 60 70 A F E < +CD 57 75A 27 -3,-1.9 -3,-2.8 15,-0.2 2,-0.4 -0.816 54.4 172.8-102.0 129.7 36.3 -21.2 93.7 61 71 A T E -CD 56 74A 11 13,-2.3 13,-3.0 -2,-0.4 2,-0.6 -0.958 18.3-157.5-140.8 122.2 39.0 -23.1 91.9 62 72 A I E -CD 55 73A 0 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.857 9.1-164.4 -92.1 122.2 40.0 -23.3 88.2 63 73 A F E -CD 54 72A 85 9,-2.4 9,-2.6 -2,-0.6 2,-0.4 -0.915 11.8-161.4-100.3 137.1 41.9 -26.4 87.2 64 74 A F E - D 0 71A 12 -11,-3.3 2,-0.6 -2,-0.4 7,-0.2 -0.988 16.1-171.4-128.5 124.7 43.6 -26.0 83.8 65 75 A N E > - D 0 70A 70 5,-3.4 5,-2.4 -2,-0.4 4,-0.4 -0.918 2.8-172.8-117.6 102.9 45.0 -28.7 81.5 66 76 A K T > 5S+ 0 0 127 -2,-0.6 3,-1.2 3,-0.2 -1,-0.2 0.936 78.6 55.0 -59.3 -53.7 46.9 -27.2 78.7 67 77 A R T 3 5S+ 0 0 116 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.829 115.5 34.5 -47.9 -62.0 47.5 -30.4 76.7 68 78 A E T 3 5S- 0 0 117 2,-0.1 -1,-0.3 -46,-0.0 -2,-0.2 0.290 109.1-124.8 -77.3 7.3 43.8 -31.6 76.3 69 79 A K T < 5 + 0 0 64 -3,-1.2 -46,-1.5 -4,-0.4 2,-0.3 0.963 67.0 131.4 46.6 61.0 42.8 -27.8 76.1 70 80 A K E < +BD 22 65A 120 -5,-2.4 -5,-3.4 -48,-0.2 2,-0.3 -0.977 30.0 170.1-140.9 144.9 40.4 -28.3 79.0 71 81 A L E -BD 21 64A 7 -50,-2.0 -50,-2.0 -2,-0.3 2,-0.3 -0.958 11.4-158.9-148.2 162.2 39.8 -26.4 82.2 72 82 A S E -BD 20 63A 17 -9,-2.6 -9,-2.4 -2,-0.3 2,-0.6 -0.994 14.8-137.5-147.5 144.3 37.1 -26.5 84.9 73 83 A L E -BD 19 62A 0 -54,-2.3 -54,-3.0 -2,-0.3 2,-0.4 -0.884 22.4-164.3 -96.3 123.8 35.7 -24.3 87.6 74 84 A H E -BD 18 61A 45 -13,-3.0 -13,-2.3 -2,-0.6 2,-0.5 -0.901 7.5-167.5-104.5 136.5 35.0 -26.1 90.9 75 85 A I E > -BD 17 60A 0 -58,-2.6 -58,-2.7 -2,-0.4 3,-0.5 -0.941 12.1-159.0-120.5 104.4 32.8 -24.5 93.5 76 86 A T T 3 S+ 0 0 63 -17,-2.2 -60,-0.2 -2,-0.5 -61,-0.1 -0.609 74.4 16.2 -77.7 144.8 33.2 -26.4 96.8 77 87 A D T 3 S- 0 0 64 -63,-0.7 -1,-0.2 -2,-0.2 -62,-0.2 0.893 92.1-142.2 64.6 46.2 30.3 -26.0 99.4 78 88 A S < - 0 0 0 -63,-2.6 -64,-2.3 -3,-0.5 -63,-0.2 0.005 14.6-153.6 -48.2 138.2 27.9 -24.6 96.9 79 89 A Q > - 0 0 35 -66,-0.2 3,-2.6 -65,-0.1 4,-0.3 -0.856 27.2-118.7-114.5 147.7 25.6 -21.8 98.2 80 90 A P G > S+ 0 0 43 0, 0.0 3,-1.8 0, 0.0 28,-0.4 0.862 116.3 61.3 -49.1 -36.8 22.1 -20.8 97.0 81 91 A G G 3 S+ 0 0 56 1,-0.3 -3,-0.0 -44,-0.0 -44,-0.0 0.445 89.0 70.2 -70.0 -5.4 23.7 -17.4 96.3 82 92 A D G < + 0 0 11 -3,-2.6 2,-0.3 2,-0.1 -1,-0.3 0.499 67.5 122.5 -85.7 -8.6 26.0 -19.1 93.8 83 93 A S < + 0 0 12 -3,-1.8 2,-0.3 -4,-0.3 24,-0.2 -0.409 43.6 108.3 -58.5 116.3 23.0 -19.6 91.5 84 94 A A E S- I 0 106B 5 22,-1.0 22,-3.3 -2,-0.3 2,-0.5 -0.962 74.5 -83.6-170.9 173.6 24.1 -17.9 88.3 85 95 A T E -HI 36 105B 30 -49,-2.3 -49,-2.5 -2,-0.3 2,-0.5 -0.888 42.0-151.4 -94.3 133.8 25.2 -18.3 84.7 86 96 A Y E -HI 35 104B 0 18,-2.8 18,-2.1 -2,-0.5 2,-0.5 -0.947 7.7-162.6-111.9 119.8 28.9 -19.0 84.5 87 97 A F E -H 34 0B 2 -53,-2.9 -53,-2.6 -2,-0.5 2,-0.4 -0.913 6.6-155.5-103.6 125.6 30.8 -18.0 81.4 88 98 A a E -H 33 0B 0 -2,-0.5 13,-3.7 -55,-0.2 2,-0.3 -0.851 22.4-177.3 -90.9 131.5 34.3 -19.4 80.5 89 99 A A E -J 100 0C 0 -57,-2.0 2,-0.3 -2,-0.4 11,-0.3 -0.901 7.5-165.5-131.4 156.3 36.1 -16.9 78.3 90 100 A A E +J 99 0C 0 9,-2.4 9,-2.6 -2,-0.3 2,-0.3 -0.998 11.0 168.4-146.6 148.5 39.5 -17.1 76.6 91 101 A T B -G 30 0B 2 -61,-2.1 -62,-2.9 -2,-0.3 -61,-2.0 -0.979 10.6-162.1-152.1 154.7 42.1 -14.8 74.8 92 102 A G > - 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