==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 28-FEB-13 4JFH . COMPND 2 MOLECULE: ALPHA24 TCR ALLELE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.J.RIZKALLAH,D.K.COLE,F.MADURA,A.K.SEWELL . 444 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 37.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 5 1.1 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 0.2 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 . 37 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 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 0 PARALLEL BRIDGES PER LADDER . 1 4 6 3 6 3 4 1 1 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 2 2 1 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 1 D Q 0 0 70 0, 0.0 100,-0.2 0, 0.0 245,-0.0 0.000 360.0 360.0 360.0 114.7 -7.1 57.7 52.9 2 2 D K + 0 0 161 3,-0.1 3,-0.2 98,-0.1 98,-0.0 0.632 360.0 70.3-114.0 -20.2 -7.0 61.5 52.3 3 3 D E S S+ 0 0 109 1,-0.2 23,-2.2 96,-0.1 2,-0.4 0.807 113.2 26.0 -68.7 -30.0 -5.1 63.0 55.3 4 4 D V E S-A 25 0A 4 95,-0.3 2,-0.4 21,-0.2 -1,-0.2 -0.979 80.7-174.8-136.7 116.7 -1.8 61.5 54.2 5 5 D E E -A 24 0A 44 19,-2.5 19,-2.5 -2,-0.4 2,-0.5 -0.958 25.3-174.0-123.8 137.9 -1.2 60.7 50.6 6 6 D Q + 0 0 14 -2,-0.4 2,-1.2 17,-0.2 17,-0.1 -0.870 19.4 179.0-120.6 78.6 1.5 59.0 48.7 7 7 D N + 0 0 118 -2,-0.5 2,-0.3 96,-0.0 96,-0.1 -0.727 34.7 114.1 -87.9 83.3 0.3 59.7 45.2 8 8 D S - 0 0 42 -2,-1.2 96,-0.2 94,-0.2 3,-0.1 -0.985 61.0-119.6-147.5 152.5 3.0 58.1 43.2 9 9 D G - 0 0 44 -2,-0.3 2,-0.2 1,-0.2 -2,-0.0 -0.262 56.9 -64.4 -82.4 178.8 3.2 55.2 40.8 10 10 D P - 0 0 117 0, 0.0 2,-0.2 0, 0.0 95,-0.2 -0.489 57.3-141.6 -68.6 132.9 5.5 52.2 41.4 11 11 D L E -e 105 0B 44 93,-2.7 95,-1.2 -2,-0.2 2,-0.3 -0.620 19.7-178.3 -96.7 156.1 9.2 53.2 41.4 12 12 D S E +e 106 0B 67 -2,-0.2 95,-0.2 93,-0.2 93,-0.0 -0.940 5.7 165.8-157.4 129.7 12.1 51.3 39.9 13 13 D V E -e 107 0B 24 93,-2.3 95,-2.8 -2,-0.3 2,-0.2 -0.961 36.1-106.0-140.8 157.2 15.8 52.0 39.8 14 14 D P E > -e 108 0B 81 0, 0.0 3,-2.0 0, 0.0 65,-0.2 -0.547 56.2 -80.1 -80.4 152.0 19.0 50.1 39.0 15 15 D E T 3 S+ 0 0 78 93,-2.8 65,-0.2 1,-0.2 3,-0.1 -0.238 118.0 26.4 -50.7 130.8 21.3 49.2 41.9 16 16 D G T 3 S+ 0 0 40 63,-2.4 62,-0.5 1,-0.4 -1,-0.2 0.241 96.5 113.6 99.6 -13.8 23.4 52.2 43.0 17 17 D A < - 0 0 32 -3,-2.0 62,-2.2 62,-0.2 -1,-0.4 -0.393 69.7-103.7 -86.3 170.7 21.1 54.9 41.8 18 18 D I - 0 0 96 60,-0.2 2,-0.3 59,-0.1 59,-0.2 -0.712 33.2-168.9 -95.3 138.4 19.1 57.4 43.9 19 19 D A E - B 0 76A 5 57,-2.2 57,-2.9 -2,-0.3 2,-0.4 -0.959 4.7-155.6-125.2 151.4 15.4 57.0 44.5 20 20 D S E - B 0 75A 60 -2,-0.3 2,-0.4 55,-0.2 55,-0.2 -0.976 1.9-160.7-136.9 126.8 13.0 59.5 45.9 21 21 D L E - B 0 74A 0 53,-2.7 53,-1.9 -2,-0.4 2,-0.3 -0.845 13.1-152.8-105.6 136.0 9.7 58.9 47.7 22 22 D N E + B 0 73A 60 -2,-0.4 2,-0.3 51,-0.2 51,-0.2 -0.801 14.7 174.4-112.3 153.2 7.0 61.6 48.1 23 23 D a E - B 0 72A 1 49,-1.6 49,-2.7 -2,-0.3 2,-0.4 -0.989 11.7-161.3-156.1 139.9 4.3 62.3 50.6 24 24 D T E -AB 5 71A 59 -19,-2.5 -19,-2.5 -2,-0.3 2,-0.3 -0.952 8.1-163.5-123.5 143.1 1.7 65.0 51.4 25 25 D Y E -A 4 0A 5 45,-1.7 -21,-0.2 -2,-0.4 -22,-0.1 -0.958 13.8-147.6-127.1 152.2 -0.1 65.7 54.6 26 26 D S S S+ 0 0 66 -23,-2.2 2,-0.6 -2,-0.3 -22,-0.1 0.795 74.9 72.2 -90.7 -32.8 -3.3 67.8 55.3 27 27 D F > - 0 0 95 -24,-0.3 3,-1.6 1,-0.1 -1,-0.1 -0.784 57.9-162.4 -94.2 120.2 -2.9 69.2 58.9 28 28 D L T 3 S+ 0 0 116 -2,-0.6 -1,-0.1 1,-0.3 42,-0.1 0.720 89.7 62.4 -72.1 -20.7 -0.3 72.0 59.2 29 29 D G T 3 S+ 0 0 32 64,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.334 72.7 134.7 -84.1 2.9 -0.1 71.6 62.9 30 30 D S < - 0 0 5 -3,-1.6 63,-0.2 1,-0.1 3,-0.1 -0.300 43.5-156.5 -52.8 137.3 1.2 68.0 62.5 31 31 D Q + 0 0 78 61,-1.8 2,-0.3 1,-0.2 62,-0.2 0.838 59.8 14.7 -92.0 -41.2 4.1 67.5 64.9 32 32 D S E -F 92 0B 1 60,-1.2 60,-2.9 17,-0.0 2,-0.4 -0.986 57.8-146.9-142.1 160.6 6.3 64.6 63.5 33 33 D F E -FG 91 50B 1 17,-2.8 17,-2.1 -2,-0.3 2,-0.3 -0.956 13.6-167.3-133.3 140.9 6.8 62.6 60.4 34 34 D F E -FG 90 49B 0 56,-3.2 56,-2.3 -2,-0.4 2,-0.4 -0.910 13.5-157.4-133.3 150.7 7.8 59.1 59.8 35 35 D W E -FG 89 48B 2 13,-2.6 12,-2.7 -2,-0.3 13,-1.2 -0.990 17.3-175.1-125.6 128.9 9.0 56.7 57.0 36 36 D Y E -FG 88 46B 1 52,-3.1 52,-2.7 -2,-0.4 2,-0.4 -0.913 14.6-146.2-120.1 156.0 8.5 53.0 57.3 37 37 D R E -FG 87 45B 43 8,-2.8 8,-4.0 -2,-0.3 2,-0.4 -0.922 15.7-171.3-118.4 142.3 9.6 50.2 55.1 38 38 D Q E -F 86 0B 18 48,-2.2 48,-2.5 -2,-0.4 2,-0.2 -0.955 7.7-157.4-142.6 123.5 7.6 47.1 54.7 39 39 D Y > - 0 0 72 4,-0.4 3,-2.3 -2,-0.4 46,-0.1 -0.620 45.1 -76.8 -93.4 158.0 8.5 43.8 52.9 40 40 D S T 3 S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.251 118.4 10.3 -55.2 129.9 5.9 41.4 51.6 41 41 D G T 3 S+ 0 0 45 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.421 113.0 96.2 80.5 5.2 4.3 39.4 54.4 42 42 D K S < S- 0 0 123 -3,-2.3 -1,-0.2 1,-0.1 267,-0.1 -0.755 75.3-103.1-124.5 167.1 5.8 41.5 57.2 43 43 D S - 0 0 20 -2,-0.2 -4,-0.4 265,-0.2 2,-0.1 -0.395 54.1 -85.4 -81.6 161.7 4.9 44.3 59.5 44 44 D P - 0 0 4 0, 0.0 262,-0.5 0, 0.0 2,-0.4 -0.448 38.6-146.3 -71.5 144.4 6.3 47.7 58.7 45 45 D E E -G 37 0B 81 -8,-4.0 -8,-2.8 -2,-0.1 2,-0.3 -0.934 20.6-115.0-111.9 137.2 9.8 48.7 60.0 46 46 D L E +G 36 0B 42 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.471 33.4 172.7 -72.7 124.5 10.7 52.2 61.1 47 47 D I E - 0 0 22 -12,-2.7 2,-0.3 1,-0.4 -11,-0.2 0.878 61.4 -34.1 -91.1 -57.6 13.4 53.9 58.9 48 48 D M E -G 35 0B 7 -13,-1.2 -13,-2.6 14,-0.0 -1,-0.4 -0.986 44.4-150.9-157.7 168.7 13.4 57.4 60.3 49 49 D F E -G 34 0B 61 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.881 14.2-173.7-140.3 160.1 11.3 60.2 61.8 50 50 D T E +G 33 0B 7 -17,-2.1 -17,-2.8 -2,-0.3 3,-0.1 -0.981 20.5 177.2-156.2 146.2 11.8 63.9 61.6 51 51 D Y + 0 0 109 -2,-0.3 2,-0.4 -19,-0.2 -1,-0.1 0.355 64.3 79.9-129.4 -0.2 10.1 67.0 63.2 52 52 D R S S- 0 0 167 2,-0.1 13,-0.2 14,-0.0 -1,-0.1 -0.897 82.2-109.9-113.8 139.8 12.3 69.8 61.8 53 53 D E S S+ 0 0 116 -2,-0.4 2,-0.3 11,-0.1 13,-0.2 -0.329 83.9 34.9 -59.8 145.4 12.1 71.4 58.4 54 54 D G E S-C 65 0A 33 11,-2.0 11,-1.9 2,-0.1 2,-0.4 -0.779 102.4 -27.0 112.5-153.9 15.0 70.6 56.2 55 55 D D E -C 64 0A 112 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.809 38.7-171.1-108.6 135.0 17.1 67.5 55.8 56 56 D K E -C 63 0A 73 7,-2.2 7,-2.8 -2,-0.4 2,-0.4 -0.993 17.4-160.9-120.9 117.7 17.8 64.8 58.3 57 57 D E E +C 62 0A 137 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.865 18.0 169.7-106.0 135.3 20.4 62.4 57.1 58 58 D D E > -C 61 0A 99 3,-3.4 3,-2.1 -2,-0.4 2,-0.2 -0.831 63.9 -57.9-145.6 100.1 20.9 58.9 58.5 59 59 D G T 3 S- 0 0 66 -2,-0.3 -1,-0.1 1,-0.3 18,-0.0 -0.435 122.8 -12.1 63.7-126.6 23.3 56.6 56.5 60 60 D R T 3 S+ 0 0 71 -2,-0.2 17,-2.5 -3,-0.1 2,-0.4 0.517 124.5 86.5 -84.1 1.6 22.0 56.3 53.0 61 61 D F E < -CD 58 76A 24 -3,-2.1 -3,-3.4 15,-0.2 2,-0.4 -0.814 51.1-174.9-113.0 140.9 18.6 57.9 53.9 62 62 D T E -CD 57 75A 4 13,-2.0 13,-2.9 -2,-0.4 2,-0.5 -0.993 10.7-156.2-133.6 121.5 17.6 61.5 54.0 63 63 D A E -CD 56 74A 1 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.4 -0.878 13.8-165.2 -96.4 128.7 14.2 62.7 55.3 64 64 D Q E -CD 55 73A 60 9,-2.6 9,-2.0 -2,-0.5 2,-0.4 -0.951 5.0-172.7-118.8 131.0 13.1 66.2 53.8 65 65 D L E +CD 54 72A 8 -11,-1.9 -11,-2.0 -2,-0.4 2,-0.5 -0.985 15.6 179.8-132.4 131.2 10.4 68.3 55.3 66 66 D N E >> - D 0 71A 70 5,-2.2 5,-1.8 -2,-0.4 4,-1.0 -0.969 5.8-172.2-126.3 105.3 8.7 71.5 54.1 67 67 D K T 45S+ 0 0 73 -2,-0.5 -1,-0.1 3,-0.2 -37,-0.1 0.517 82.4 57.7 -78.2 -8.1 5.9 72.6 56.5 68 68 D A T 45S+ 0 0 86 1,-0.1 -1,-0.2 3,-0.1 -40,-0.0 0.908 119.1 28.2 -85.1 -49.7 4.7 75.4 54.2 69 69 D S T 45S- 0 0 52 2,-0.1 -2,-0.2 -45,-0.0 -1,-0.1 0.603 107.3-130.1 -82.7 -15.3 3.9 73.1 51.2 70 70 D Q T <5 + 0 0 39 -4,-1.0 -45,-1.7 1,-0.2 2,-0.4 0.932 55.1 145.1 63.7 53.2 3.3 70.2 53.7 71 71 D H E < -BD 24 66A 88 -5,-1.8 -5,-2.2 -47,-0.2 2,-0.4 -0.939 30.9-169.7-123.9 141.7 5.5 67.7 51.9 72 72 D V E -BD 23 65A 0 -49,-2.7 -49,-1.6 -2,-0.4 2,-0.3 -0.976 10.7-177.1-127.9 141.3 7.7 65.0 53.2 73 73 D S E -BD 22 64A 26 -9,-2.0 -9,-2.6 -2,-0.4 2,-0.5 -0.978 19.5-149.7-139.6 154.1 10.2 63.0 51.2 74 74 D L E -BD 21 63A 0 -53,-1.9 -53,-2.7 -2,-0.3 2,-0.5 -0.992 13.7-161.1-123.5 124.0 12.6 60.2 51.6 75 75 D L E -BD 20 62A 23 -13,-2.9 -13,-2.0 -2,-0.5 2,-0.6 -0.916 3.1-163.4-108.0 123.9 15.7 60.2 49.6 76 76 D I E -BD 19 61A 0 -57,-2.9 -57,-2.2 -2,-0.5 3,-0.4 -0.945 7.3-163.4-111.9 115.7 17.6 56.9 49.2 77 77 D R + 0 0 103 -17,-2.5 -59,-0.1 -2,-0.6 -60,-0.1 -0.638 68.1 10.0 -95.4 153.8 21.1 57.0 48.0 78 78 D D S S- 0 0 87 -62,-0.5 -1,-0.2 -2,-0.2 -60,-0.2 0.910 90.6-144.3 46.7 55.8 23.2 54.1 46.6 79 79 D S - 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