==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 26-NOV-11 3UTP . COMPND 2 MOLECULE: 1E6 TCR ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.J.RIZKALLAH,D.K.COLE,A.K.SEWELL,A.M.BULEK . 892 4 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 332 37.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 1 0.1 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 . 76 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 2.8 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+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 1 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 RESIDUES PER ALPHA HELIX . 3 0 0 2 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 . 3 10 13 1 13 4 7 5 1 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 . 1 0 5 2 5 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 2 D K 0 0 133 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 62.8 46.8 4.6 9.8 2 3 D E - 0 0 159 97,-0.1 23,-0.7 2,-0.0 2,-0.4 -0.999 360.0-161.4-140.8 137.9 47.6 4.6 13.5 3 4 D V E -A 24 0A 15 97,-0.4 2,-0.4 -2,-0.4 99,-0.4 -0.957 12.6-135.8-124.7 142.3 46.8 2.0 16.2 4 5 D E E +A 23 0A 132 19,-3.4 19,-1.9 -2,-0.4 2,-0.3 -0.784 28.7 160.4-100.3 138.9 46.8 2.4 20.0 5 6 D Q E -A 22 0A 9 -2,-0.4 97,-0.1 17,-0.2 17,-0.1 -0.926 38.5-124.5-158.9 122.4 48.2 -0.2 22.4 6 7 D D - 0 0 111 15,-0.5 15,-0.2 -2,-0.3 -2,-0.0 -0.579 18.9-149.1 -68.6 126.3 49.3 0.2 26.0 7 8 D P + 0 0 77 0, 0.0 98,-2.3 0, 0.0 3,-0.2 0.656 38.0 162.6 -73.6 -16.8 53.0 -0.9 26.2 8 9 D G - 0 0 37 1,-0.3 98,-0.1 96,-0.2 3,-0.0 -0.643 48.5-139.5 79.6-131.8 52.7 -2.2 29.8 9 10 D P - 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.317 32.4-169.6 -84.3 129.6 54.7 -4.0 30.8 10 11 D L E -e 106 0B 39 95,-1.8 97,-2.4 -3,-0.2 2,-0.5 -0.608 5.6-158.5 -84.8 136.1 52.1 -6.0 32.5 11 12 D S E +e 107 0B 35 -2,-0.3 97,-0.2 95,-0.2 504,-0.1 -0.986 17.0 172.7-116.1 121.6 53.3 -8.7 35.0 12 13 D V E -e 108 0B 14 95,-2.3 97,-3.1 -2,-0.5 2,-0.3 -0.915 32.6-106.2-127.6 155.8 51.0 -11.6 35.8 13 14 D P E > -e 109 0B 32 0, 0.0 3,-2.8 0, 0.0 65,-0.1 -0.607 49.4 -85.9 -84.2 142.5 51.4 -14.8 37.8 14 15 D E T 3 S+ 0 0 58 95,-2.4 65,-0.2 1,-0.3 64,-0.1 -0.113 119.6 27.2 -44.0 127.4 51.6 -18.2 36.1 15 16 D G T 3 S+ 0 0 19 63,-2.6 62,-0.7 1,-0.4 -1,-0.3 0.187 91.6 128.1 101.5 -17.4 48.1 -19.4 35.5 16 17 D A < - 0 0 1 -3,-2.8 62,-2.2 62,-0.2 2,-0.4 -0.349 62.3-119.0 -70.6 149.6 46.6 -15.9 35.4 17 18 D I - 0 0 26 60,-0.2 2,-0.4 59,-0.2 59,-0.2 -0.776 32.6-158.8 -84.8 138.2 44.4 -15.0 32.5 18 19 D V E - B 0 75A 3 57,-3.0 57,-2.4 -2,-0.4 2,-0.5 -0.932 9.3-156.1-123.3 148.0 45.7 -12.1 30.5 19 20 D S E + B 0 74A 20 -2,-0.4 2,-0.3 55,-0.2 55,-0.2 -0.982 11.4 179.0-125.3 122.8 44.1 -9.6 28.2 20 21 D L E + B 0 73A 3 53,-3.1 53,-2.7 -2,-0.5 2,-0.3 -0.841 13.0 169.6-116.0 153.9 45.9 -7.6 25.5 21 22 D N E - B 0 72A 50 -2,-0.3 -15,-0.5 51,-0.3 2,-0.3 -0.946 22.8-159.1-167.4 152.6 44.3 -5.2 23.2 22 23 D a E -AB 5 71A 1 49,-2.0 49,-2.5 -2,-0.3 2,-0.3 -0.833 9.1-158.3-127.2 159.5 44.6 -2.5 20.6 23 24 D T E -AB 4 70A 50 -19,-1.9 -19,-3.4 -2,-0.3 2,-0.3 -0.957 11.8-179.7-135.7 152.6 42.2 0.1 19.3 24 25 D Y E -A 3 0A 18 45,-1.3 -21,-0.2 -2,-0.3 3,-0.0 -0.875 25.3-148.5-143.6 175.6 42.2 2.0 16.0 25 26 D S + 0 0 87 -23,-0.7 2,-0.5 -2,-0.3 -22,-0.1 0.632 69.3 92.6-122.6 -26.1 40.2 4.7 14.2 26 27 D N > - 0 0 56 -24,-0.3 3,-1.1 1,-0.2 -1,-0.0 -0.612 54.7-162.1 -76.7 117.0 40.5 3.9 10.5 27 28 D S T 3 S+ 0 0 84 -2,-0.5 -1,-0.2 1,-0.2 42,-0.0 0.658 81.9 81.5 -72.0 -14.8 37.5 1.7 9.4 28 29 D A T 3 + 0 0 51 64,-0.1 2,-0.4 2,-0.0 65,-0.4 0.773 66.1 100.2 -60.7 -28.6 39.5 0.7 6.3 29 30 D F < + 0 0 7 -3,-1.1 63,-0.3 1,-0.2 3,-0.1 -0.489 40.1 159.9 -63.4 120.0 41.3 -1.9 8.5 30 31 D Q + 0 0 55 61,-2.2 21,-1.4 -2,-0.4 2,-0.4 0.459 52.5 57.7-123.6 -8.1 39.6 -5.2 7.7 31 32 D Y E -FG 50 91B 69 60,-2.0 60,-1.6 19,-0.2 2,-0.4 -0.981 59.6-175.5-129.5 140.6 42.2 -7.8 8.7 32 33 D F E +FG 49 90B 1 17,-2.1 17,-3.1 -2,-0.4 2,-0.3 -0.997 7.3 164.8-142.4 136.7 43.8 -8.3 12.2 33 34 D M E -FG 48 89B 2 56,-2.5 56,-3.0 -2,-0.4 2,-0.4 -0.998 27.6-129.7-153.7 144.9 46.4 -10.6 13.6 34 35 D W E -FG 47 88B 1 13,-1.1 12,-2.1 -2,-0.3 13,-1.7 -0.805 19.7-165.9 -99.4 132.5 48.5 -10.9 16.6 35 36 D Y E -FG 45 87B 0 52,-3.3 52,-2.1 -2,-0.4 2,-0.4 -0.792 8.9-145.8-109.6 157.5 52.2 -11.4 16.5 36 37 D R E -FG 44 86B 46 8,-3.2 8,-3.1 -2,-0.3 2,-0.5 -0.985 10.0-164.9-125.3 134.8 54.5 -12.4 19.3 37 38 D Q E -FG 43 85B 23 48,-2.6 48,-2.5 -2,-0.4 2,-0.2 -0.969 6.0-154.1-125.9 119.0 58.1 -11.2 19.7 38 39 D Y > - 0 0 48 4,-0.5 3,-1.7 -2,-0.5 46,-0.1 -0.626 46.7 -74.6 -87.5 148.8 60.6 -12.8 22.0 39 40 D S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.107 117.7 0.2 -44.9 127.1 63.4 -10.7 23.4 40 41 D R T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.818 115.5 104.5 62.1 30.6 66.1 -10.1 20.8 41 42 D K S < S- 0 0 106 -3,-1.7 -1,-0.2 3,-0.0 268,-0.1 -0.847 74.6 -96.2-131.6 172.3 64.1 -12.1 18.2 42 43 D G - 0 0 14 -2,-0.3 -4,-0.5 265,-0.2 2,-0.1 -0.500 49.9 -90.0 -86.1 157.7 61.9 -11.3 15.2 43 44 D P E -F 37 0B 4 0, 0.0 264,-0.5 0, 0.0 2,-0.4 -0.448 42.0-161.1 -67.4 139.9 58.1 -11.2 15.4 44 45 D E E -F 36 0B 88 -8,-3.1 -8,-3.2 -2,-0.1 262,-0.1 -0.983 23.2-106.7-126.9 135.9 56.3 -14.4 14.8 45 46 D L E +F 35 0B 52 -2,-0.4 -10,-0.2 260,-0.3 3,-0.1 -0.255 40.6 163.0 -54.5 145.7 52.7 -14.9 13.9 46 47 D L E - 0 0 36 -12,-2.1 2,-0.3 1,-0.5 -11,-0.2 0.596 61.3 -2.9-128.7 -60.3 50.5 -16.2 16.6 47 48 D M E -F 34 0B 5 -13,-1.7 -13,-1.1 14,-0.0 -1,-0.5 -0.881 54.4-176.4-135.4 163.6 46.8 -15.5 15.7 48 49 D Y E -F 33 0B 71 -15,-0.3 2,-0.3 -2,-0.3 -15,-0.3 -0.968 4.5-178.1-160.2 149.5 44.8 -13.8 12.8 49 50 D T E -F 32 0B 12 -17,-3.1 -17,-2.1 -2,-0.3 2,-0.4 -0.996 18.5-133.4-153.7 152.0 41.1 -13.1 12.1 50 51 D Y E -F 31 0B 183 -2,-0.3 -19,-0.2 -19,-0.2 14,-0.1 -0.870 64.2 -34.6-111.0 141.4 38.8 -11.6 9.5 51 52 D S S S- 0 0 40 -21,-1.4 2,-0.3 -2,-0.4 -19,-0.1 -0.057 111.4 -17.1 49.5-147.5 35.9 -9.1 10.1 52 53 D S S S+ 0 0 49 13,-0.1 2,-0.3 11,-0.1 13,-0.2 -0.719 95.4 81.7 -92.0 140.2 34.0 -9.6 13.4 53 54 D G E -C 64 0A 37 11,-1.1 11,-1.2 -2,-0.3 2,-0.4 -0.879 68.8 -93.4 152.7 178.2 34.2 -12.9 15.4 54 55 D N E -C 63 0A 85 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.887 23.9-159.9-134.4 106.9 36.3 -14.8 17.9 55 56 D K E -C 62 0A 83 7,-1.4 7,-2.8 -2,-0.4 2,-0.5 -0.691 10.9-162.1 -85.4 124.1 39.0 -17.4 16.9 56 57 D E E +C 61 0A 145 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.929 14.8 171.3-113.6 116.7 40.0 -19.8 19.7 57 58 D D E > -C 60 0A 108 3,-3.0 3,-2.2 -2,-0.5 2,-0.4 -0.893 61.6 -65.4-126.1 101.2 43.3 -21.8 19.5 58 59 D G T 3 S- 0 0 55 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.446 122.4 -5.0 63.0-114.5 44.1 -23.8 22.6 59 60 D R T 3 S+ 0 0 71 -2,-0.4 17,-2.3 -3,-0.1 2,-0.4 0.423 122.9 84.3 -91.1 0.7 44.8 -21.3 25.4 60 61 D F E < -CD 57 75A 19 -3,-2.2 -3,-3.0 15,-0.2 2,-0.4 -0.888 49.7-178.0-113.7 134.6 44.5 -18.3 23.0 61 62 D T E -CD 56 74A 4 13,-2.1 13,-2.3 -2,-0.4 2,-0.4 -0.977 8.3-165.9-130.0 119.2 41.3 -16.5 22.0 62 63 D A E -CD 55 73A 0 -7,-2.8 -7,-1.4 -2,-0.4 2,-0.3 -0.845 10.6-178.7-106.0 140.3 41.5 -13.6 19.5 63 64 D Q E -CD 54 72A 14 9,-2.6 9,-1.8 -2,-0.4 2,-0.3 -0.947 12.5-168.4-136.5 160.8 38.7 -11.1 18.9 64 65 D V E -CD 53 71A 4 -11,-1.2 -11,-1.1 -2,-0.3 2,-0.3 -0.990 5.0-169.3-148.6 143.3 37.8 -8.2 16.8 65 66 D D E >> - D 0 70A 7 5,-1.5 5,-1.4 -2,-0.3 4,-1.2 -0.805 2.7-171.5-139.2 96.0 35.0 -5.7 17.0 66 67 D K T 45S+ 0 0 32 -2,-0.3 -1,-0.1 3,-0.2 5,-0.1 0.774 85.9 55.9 -58.7 -31.3 34.7 -3.4 14.0 67 68 D S T 45S+ 0 0 17 1,-0.2 -1,-0.2 3,-0.1 392,-0.1 0.967 118.6 31.6 -66.8 -52.3 32.0 -1.3 15.6 68 69 D S T 45S- 0 0 44 390,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.569 105.1-133.3 -78.9 -5.9 34.1 -0.5 18.7 69 70 D K T <5 + 0 0 64 -4,-1.2 -45,-1.3 1,-0.2 2,-0.3 0.987 60.9 137.1 45.2 67.6 37.2 -0.7 16.5 70 71 D Y E < -BD 23 65A 85 -5,-1.4 -5,-1.5 -47,-0.2 2,-0.4 -0.987 37.4-169.7-150.9 129.5 38.7 -2.8 19.2 71 72 D I E -BD 22 64A 2 -49,-2.5 -49,-2.0 -2,-0.3 2,-0.3 -0.969 10.2-174.6-126.4 140.6 40.8 -6.0 19.1 72 73 D S E -BD 21 63A 5 -9,-1.8 -9,-2.6 -2,-0.4 2,-0.4 -0.939 17.6-158.0-139.6 157.8 41.8 -8.3 21.9 73 74 D L E -BD 20 62A 0 -53,-2.7 -53,-3.1 -2,-0.3 2,-0.5 -0.998 12.3-163.9-135.5 122.5 43.9 -11.3 22.8 74 75 D F E -BD 19 61A 6 -13,-2.3 -13,-2.1 -2,-0.4 2,-0.5 -0.938 3.0-169.2-111.0 130.0 43.2 -13.4 25.8 75 76 D I E -BD 18 60A 0 -57,-2.4 -57,-3.0 -2,-0.5 3,-0.4 -0.982 10.7-162.2-116.2 117.5 45.7 -15.9 27.1 76 77 D R S S+ 0 0 67 -17,-2.3 -59,-0.2 -2,-0.5 -60,-0.1 -0.764 70.7 14.9-101.6 150.7 44.3 -18.2 29.7 77 78 D D S S- 0 0 84 -62,-0.7 -1,-0.2 -2,-0.3 -61,-0.2 0.893 92.4-141.9 56.0 44.8 46.5 -20.2 32.1 78 79 D S - 0 0 0 -62,-2.2 -63,-2.6 -3,-0.4 -62,-0.2 -0.005 16.5-155.7 -38.0 134.0 49.5 -18.0 31.3 79 80 D Q > - 0 0 51 -65,-0.2 3,-3.1 -3,-0.1 4,-0.2 -0.835 27.6-114.5-118.2 149.2 52.7 -19.9 31.1 80 81 D P G > S+ 0 0 35 0, 0.0 3,-3.1 0, 0.0 28,-0.3 0.899 115.8 64.7 -45.9 -44.8 56.3 -18.6 31.6 81 82 D S G 3 S+ 0 0 79 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.563 90.9 69.3 -56.4 -11.6 57.0 -19.4 27.9 82 83 D D G < + 0 0 2 -3,-3.1 2,-0.4 26,-0.1 -1,-0.3 0.520 67.2 118.6 -85.2 -7.5 54.4 -16.7 27.1 83 84 D S < + 0 0 34 -3,-3.1 2,-0.3 -4,-0.2 24,-0.2 -0.483 47.1 94.0 -65.1 115.2 56.6 -13.9 28.3 84 85 D A E S- H 0 106B 11 22,-1.1 22,-2.7 -2,-0.4 2,-0.5 -0.959 78.4 -73.3-177.2-177.3 57.1 -11.7 25.3 85 86 D T E -GH 37 105B 30 -48,-2.5 -48,-2.6 -2,-0.3 2,-0.4 -0.909 40.1-152.2-101.6 129.0 55.9 -8.6 23.5 86 87 D Y E -GH 36 104B 0 18,-2.6 18,-2.3 -2,-0.5 2,-0.4 -0.873 10.8-168.1-105.1 130.6 52.6 -9.0 21.7 87 88 D L E -G 35 0B 0 -52,-2.1 -52,-3.3 -2,-0.4 2,-0.4 -0.971 13.1-144.6-123.0 127.4 51.9 -6.8 18.6 88 89 D a E -G 34 0B 2 -2,-0.4 13,-1.6 -54,-0.2 2,-0.4 -0.750 18.7-166.4 -89.1 135.1 48.6 -6.4 16.9 89 90 D A E +GI 33 100B 0 -56,-3.0 -56,-2.5 -2,-0.4 2,-0.3 -0.992 10.6 172.0-126.2 132.5 49.0 -6.0 13.1 90 91 D M E +GI 32 99B 0 9,-2.7 9,-2.8 -2,-0.4 2,-0.3 -0.900 4.3 167.4-139.1 159.5 46.2 -4.9 10.9 91 92 D R E -G 31 0B 7 -60,-1.6 -61,-2.2 -2,-0.3 -60,-2.0 -0.975 26.1-116.6-159.8 171.2 45.6 -3.8 7.3 92 93 D G > - 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