==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 26-NOV-01 1KGC . COMPND 2 MOLECULE: T-CELL RECEPTOR ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.KJER-NIELSEN,C.S.CLEMENTS,A.G.BROOKS,A.W.PURCELL, . 442 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 61.1 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 . 147 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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 . 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 . 47 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 . 1 6 5 2 6 3 2 1 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 0 2 3 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 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 D K 0 0 186 0, 0.0 22,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 136.4 25.2 -11.1 57.0 2 3 D T E -A 22 0A 13 20,-0.1 2,-0.3 84,-0.1 20,-0.2 -0.918 360.0-153.0-136.3 161.0 24.8 -7.6 55.7 3 4 D T E -A 21 0A 69 18,-1.9 18,-3.0 -2,-0.3 3,-0.0 -0.984 11.2-179.3-137.1 149.3 24.4 -4.1 57.1 4 5 D Q - 0 0 24 -2,-0.3 16,-0.1 16,-0.2 99,-0.1 -0.945 41.0 -84.7-142.0 158.7 22.7 -1.0 55.8 5 7 D P - 0 0 50 0, 0.0 101,-0.1 0, 0.0 3,-0.1 -0.343 42.5-119.7 -63.5 150.8 22.2 2.5 57.1 6 8 D N S S- 0 0 133 99,-0.2 100,-2.2 1,-0.1 2,-0.3 0.880 84.5 -7.0 -61.2 -38.9 19.2 2.8 59.5 7 9 D S E -e 106 0B 64 98,-0.3 2,-0.3 76,-0.0 100,-0.2 -0.949 57.1-160.2-152.1 168.8 17.4 5.3 57.3 8 10 D M E -e 107 0B 40 98,-2.6 100,-2.3 -2,-0.3 2,-0.4 -0.980 9.2-147.6-155.3 144.1 17.7 7.5 54.2 9 11 D E E +e 108 0B 103 -2,-0.3 2,-0.3 98,-0.2 100,-0.2 -0.908 21.7 165.4-116.2 143.3 15.9 10.6 52.9 10 12 D S E -e 109 0B 8 98,-2.0 100,-3.3 -2,-0.4 2,-0.3 -0.972 30.5-120.3-150.3 159.8 15.2 11.5 49.3 11 13 D N E > -e 110 0B 41 -2,-0.3 3,-1.8 98,-0.2 65,-0.2 -0.779 44.1 -88.8-102.7 150.2 13.1 13.9 47.3 12 14 D E T 3 S+ 0 0 20 98,-2.6 65,-0.2 -2,-0.3 -1,-0.1 -0.199 112.3 22.3 -55.3 146.8 10.5 12.8 44.7 13 15 D E T 3 S+ 0 0 108 63,-3.8 -1,-0.2 1,-0.3 64,-0.1 0.190 96.8 116.1 80.1 -15.8 12.0 12.4 41.2 14 16 D E S < S- 0 0 85 -3,-1.8 62,-2.4 62,-0.2 -1,-0.3 -0.502 71.6-113.8 -83.0 152.7 15.6 12.1 42.5 15 17 D P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 59,-0.2 -0.524 32.6-145.5 -79.2 158.1 17.5 8.8 41.9 16 18 D V E - B 0 73A 5 57,-2.5 57,-2.6 -2,-0.1 2,-0.6 -0.994 11.4-160.2-131.5 131.5 18.3 7.0 45.1 17 19 D H E - B 0 72A 104 -2,-0.4 55,-0.2 55,-0.2 53,-0.0 -0.929 8.7-168.6-111.4 108.5 21.3 4.9 46.0 18 20 D L E - B 0 71A 0 53,-3.0 53,-2.4 -2,-0.6 2,-0.1 -0.866 16.0-149.3 -99.7 109.8 20.7 2.5 48.9 19 21 D P E - B 0 70A 51 0, 0.0 2,-0.3 0, 0.0 51,-0.2 -0.420 13.3-169.0 -82.9 155.5 24.0 1.0 50.1 20 22 D a E - B 0 69A 0 49,-2.0 49,-2.0 -16,-0.1 2,-0.4 -0.997 8.0-152.4-144.2 133.0 24.8 -2.4 51.6 21 23 D N E +AB 3 68A 87 -18,-3.0 -18,-1.9 -2,-0.3 2,-0.3 -0.838 26.6 151.3-105.7 145.1 27.9 -3.7 53.4 22 24 D H E -A 2 0A 15 45,-2.0 -20,-0.1 -2,-0.4 3,-0.1 -0.982 48.1 -84.5-164.0 161.1 28.8 -7.4 53.4 23 25 D S S S- 0 0 96 -22,-0.6 2,-0.0 -2,-0.3 45,-0.0 -0.301 74.4 -67.4 -65.3 159.6 31.8 -9.7 53.6 24 26 D T - 0 0 88 43,-0.1 2,-0.4 1,-0.1 43,-0.2 -0.281 58.9-149.9 -52.5 122.3 33.5 -10.4 50.3 25 27 D I - 0 0 4 41,-1.6 -1,-0.1 -3,-0.1 43,-0.1 -0.797 13.8-114.1-101.2 141.0 31.1 -12.5 48.2 26 28 D S > - 0 0 52 -2,-0.4 3,-1.6 1,-0.1 -1,-0.1 -0.145 31.1-103.9 -65.7 164.0 32.1 -15.0 45.6 27 29 D G T 3 S+ 0 0 57 1,-0.3 -1,-0.1 3,-0.0 22,-0.0 0.536 123.5 51.6 -67.4 -4.6 31.5 -14.5 41.9 28 30 D T T 3 S+ 0 0 100 63,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.448 87.6 99.7-109.7 -4.4 28.7 -17.1 42.3 29 30AD D < - 0 0 35 -3,-1.6 2,-0.3 20,-0.1 61,-0.1 -0.629 62.3-143.2 -84.9 142.2 26.9 -15.5 45.2 30 31 D Y - 0 0 92 -2,-0.3 2,-0.5 59,-0.3 19,-0.2 -0.772 2.4-144.7-106.4 151.2 23.8 -13.4 44.6 31 32 D I E -F 48 0B 0 17,-2.6 17,-1.9 -2,-0.3 2,-0.4 -0.943 20.0-164.0-111.3 131.1 22.6 -10.2 46.3 32 33 D H E -FG 47 87B 28 55,-2.9 55,-3.3 -2,-0.5 2,-0.4 -0.919 6.4-160.4-118.2 145.8 18.8 -9.9 46.7 33 34 D W E +FG 46 86B 0 13,-2.9 12,-2.4 -2,-0.4 13,-1.5 -0.993 13.0 171.7-127.1 129.5 16.7 -6.8 47.5 34 35 D Y E -FG 44 85B 2 51,-1.9 51,-3.2 -2,-0.4 2,-0.3 -0.874 12.7-157.5-126.3 159.3 13.2 -6.8 48.8 35 36 D R E -FG 43 84B 11 8,-2.6 8,-2.6 -2,-0.3 2,-0.4 -0.927 5.4-152.2-135.7 162.4 11.1 -3.9 50.1 36 37 D Q E - G 0 83B 23 47,-2.1 47,-2.2 -2,-0.3 3,-0.1 -0.917 9.2-154.1-140.9 111.5 8.1 -3.6 52.4 37 38 D L > - 0 0 15 4,-0.5 3,-2.1 -2,-0.4 45,-0.2 -0.401 49.7 -63.3 -77.5 161.2 5.6 -0.8 52.1 38 39 D P T 3 S- 0 0 85 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.177 118.0 -8.5 -49.2 126.8 3.6 0.4 55.2 39 40 D S T 3 S+ 0 0 80 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.659 113.2 110.3 57.2 21.6 1.4 -2.4 56.6 40 41 D Q S < S- 0 0 116 -3,-2.1 -1,-0.2 1,-0.0 3,-0.1 -0.754 73.6-103.9-118.1 165.7 2.1 -4.6 53.6 41 42 D G - 0 0 11 -2,-0.3 -4,-0.5 1,-0.2 263,-0.1 -0.496 52.8 -82.5 -83.4 161.7 4.0 -7.8 53.3 42 43 D P - 0 0 5 0, 0.0 262,-0.6 0, 0.0 2,-0.3 -0.133 44.7-157.9 -59.8 159.7 7.5 -7.7 51.7 43 44 D E E -F 35 0B 70 -8,-2.6 -8,-2.6 260,-0.1 260,-0.1 -0.999 21.1-106.1-144.2 142.0 7.9 -7.7 47.9 44 45 D Y E +F 34 0B 72 258,-0.5 -10,-0.2 -2,-0.3 3,-0.1 -0.344 34.1 170.9 -64.1 142.2 10.8 -8.7 45.6 45 46 D V E - 0 0 12 -12,-2.4 2,-0.3 1,-0.4 13,-0.2 0.687 56.5 -42.6-116.8 -56.8 12.7 -5.8 43.9 46 47 D I E -F 33 0B 4 -13,-1.5 -13,-2.9 13,-0.0 -1,-0.4 -0.979 45.0-167.2-169.8 162.7 15.7 -7.3 42.2 47 48 D H E +F 32 0B 53 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.975 19.6 141.8-157.0 153.6 18.6 -9.8 42.6 48 49 D G E -F 31 0B 5 -17,-1.9 -17,-2.6 -2,-0.3 13,-0.1 -0.975 47.1-126.4-179.9 170.4 21.8 -10.5 40.7 49 50 D L S S+ 0 0 52 -2,-0.3 2,-0.3 -19,-0.2 -20,-0.1 0.335 91.1 33.4-115.9 4.7 25.5 -11.5 40.9 50 51 D T S S- 0 0 70 -19,-0.1 3,-0.3 1,-0.0 10,-0.1 -0.899 85.9 -94.4-147.1 173.8 26.9 -8.6 38.9 51 52 D S S S+ 0 0 52 -2,-0.3 10,-0.2 11,-0.2 3,-0.1 -0.236 98.1 53.8 -82.7-179.5 26.3 -4.9 38.2 52 54 D N S S+ 0 0 142 8,-0.6 2,-0.6 1,-0.3 -1,-0.2 0.767 73.0 136.8 62.5 24.8 24.3 -3.6 35.2 53 55 D V E +C 60 0A 41 7,-1.1 7,-2.7 -3,-0.3 2,-0.3 -0.912 32.3 145.4 -99.8 125.1 21.4 -5.9 36.3 54 56 D N E -C 59 0A 88 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.965 34.3-173.7-157.3 174.5 18.1 -3.9 36.0 55 57 D N - 0 0 67 3,-2.5 -9,-0.0 -2,-0.3 -2,-0.0 -0.787 58.5 -62.3-149.9-169.8 14.4 -3.5 35.3 56 58 D R S S+ 0 0 233 -2,-0.2 18,-0.2 1,-0.2 -1,-0.1 0.960 128.9 29.0 -46.0 -72.3 11.9 -0.6 35.1 57 61 D M S S+ 0 0 53 -12,-0.1 17,-1.9 16,-0.1 18,-0.4 0.897 123.0 10.2 -59.5 -51.4 12.2 0.7 38.6 58 62 D A E - D 0 73A 0 15,-0.2 -3,-2.5 -13,-0.2 2,-0.3 -0.808 47.1-146.1-139.0 174.5 15.7 -0.2 39.7 59 63 D S E -CD 54 72A 11 13,-2.1 13,-3.0 -2,-0.3 2,-0.4 -0.935 19.8-134.9-133.3 154.6 19.3 -1.4 39.0 60 64 D L E -CD 53 71A 2 -7,-2.7 -7,-1.1 -2,-0.3 -8,-0.6 -0.927 18.1-171.5-114.3 136.2 21.7 -3.4 41.1 61 65 D A E - D 0 70A 28 9,-2.3 9,-2.9 -2,-0.4 2,-0.5 -0.988 5.1-165.9-128.7 137.9 25.4 -2.5 41.5 62 66 D I E - D 0 69A 13 -2,-0.4 7,-0.2 7,-0.2 -11,-0.2 -0.991 27.7-116.4-125.0 124.3 28.1 -4.6 43.1 63 67 D A > - 0 0 32 5,-2.7 3,-1.5 -2,-0.5 5,-0.1 -0.084 26.8-111.5 -54.4 156.7 31.4 -3.0 44.0 64 68 D E T 3 S+ 0 0 201 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.853 120.1 48.6 -60.5 -37.1 34.5 -4.3 42.3 65 69 D D T 3 S- 0 0 94 1,-0.0 -1,-0.3 3,-0.0 -40,-0.1 0.427 107.3-128.9 -84.3 2.4 35.8 -5.8 45.6 66 70 D R S < S+ 0 0 44 -3,-1.5 -41,-1.6 2,-0.2 -2,-0.1 0.720 78.7 115.0 59.3 22.8 32.4 -7.4 46.1 67 71 D K S S+ 0 0 114 -43,-0.2 -45,-2.0 1,-0.2 2,-0.3 0.385 76.3 27.1-101.7 0.8 32.3 -6.0 49.7 68 72 D S E -B 21 0A 41 -47,-0.2 -5,-2.7 -5,-0.1 2,-0.3 -0.982 61.7-165.5-158.9 152.4 29.4 -3.7 49.1 69 73 D S E -BD 20 62A 0 -49,-2.0 -49,-2.0 -2,-0.3 2,-0.4 -0.911 7.8-150.9-136.3 162.5 26.3 -3.5 46.9 70 74 D T E -BD 19 61A 32 -9,-2.9 -9,-2.3 -2,-0.3 2,-0.6 -0.998 9.8-147.8-142.5 136.2 23.8 -0.8 46.0 71 75 D L E -BD 18 60A 0 -53,-2.4 -53,-3.0 -2,-0.4 2,-0.6 -0.905 22.4-159.1 -98.9 124.2 20.1 -0.7 45.0 72 76 D I E -BD 17 59A 36 -13,-3.0 -13,-2.1 -2,-0.6 2,-0.7 -0.925 7.5-162.0-110.3 115.4 19.6 2.2 42.6 73 77 D L E -BD 16 58A 1 -57,-2.6 -57,-2.5 -2,-0.6 3,-0.4 -0.864 10.1-154.0 -93.0 117.8 16.1 3.5 42.2 74 78 D H S S+ 0 0 88 -17,-1.9 2,-0.2 -2,-0.7 -1,-0.2 0.852 79.7 7.6 -62.6 -38.5 16.1 5.6 39.0 75 79 D R S S- 0 0 147 -18,-0.4 -1,-0.3 -60,-0.1 -61,-0.1 -0.725 78.1-148.2-150.6 93.7 13.3 7.9 39.8 76 80 D A - 0 0 0 -62,-2.4 -63,-3.8 -3,-0.4 2,-0.3 -0.338 16.8-177.0 -66.5 139.0 11.8 7.8 43.4 77 81 D T > - 0 0 65 -65,-0.2 3,-2.0 -64,-0.1 4,-0.3 -0.794 45.4 -94.5-126.4 170.2 8.1 8.6 43.9 78 82 D L G > S+ 0 0 43 1,-0.3 3,-1.9 -2,-0.3 31,-0.2 0.881 123.2 60.8 -54.8 -38.9 6.1 8.8 47.1 79 83 D R G 3 S+ 0 0 158 1,-0.3 -1,-0.3 -42,-0.0 -3,-0.0 0.621 91.1 68.9 -65.7 -12.2 5.1 5.2 46.6 80 84 D D G < + 0 0 12 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.549 69.5 114.1 -83.1 -6.9 8.7 4.1 46.8 81 85 D A < + 0 0 30 -3,-1.9 2,-0.3 -4,-0.3 27,-0.2 -0.517 48.5 104.5 -66.2 122.4 8.8 5.1 50.5 82 86 D A E S- H 0 107B 7 25,-0.9 25,-2.9 -2,-0.4 2,-0.5 -0.970 76.3 -69.3-178.4-179.2 9.3 1.8 52.3 83 87 D V E -GH 36 106B 33 -47,-2.2 -47,-2.1 -2,-0.3 2,-0.5 -0.842 45.5-155.0 -95.4 129.8 11.8 -0.4 54.2 84 88 D Y E -GH 35 105B 0 21,-2.7 21,-2.3 -2,-0.5 2,-0.5 -0.933 4.5-158.5-111.3 128.3 14.5 -1.9 51.8 85 89 D Y E -G 34 0B 4 -51,-3.2 -51,-1.9 -2,-0.5 2,-0.6 -0.912 7.1-156.6-111.8 126.4 16.3 -5.1 52.7 86 90 D a E -G 33 0B 0 -2,-0.5 2,-0.4 -53,-0.2 16,-0.2 -0.882 22.0-171.0 -98.3 122.2 19.6 -6.2 51.3 87 91 D I E -G 32 0B 1 -55,-3.3 -55,-2.9 -2,-0.6 14,-0.1 -0.959 20.2-167.3-124.0 133.3 19.9 -10.0 51.5 88 92 D L - 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