==== 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 08-JUN-07 2Q86 . COMPND 2 MOLECULE: VALPHA14 TCR; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR D.M.ZAJONC . 845 6 9 6 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 341 40.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 . 59 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 . 3 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 4 15 8 3 14 7 2 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 . 0 0 4 4 1 3 0 0 0 0 1 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 0 A K 0 0 120 0, 0.0 537,-0.0 0, 0.0 538,-0.0 0.000 360.0 360.0 360.0 121.7 -16.6 -18.0 35.4 2 1 A T - 0 0 40 1,-0.1 3,-0.1 2,-0.0 99,-0.1 -0.264 360.0-156.0 -59.7 143.0 -13.4 -15.8 35.3 3 2 A Q S S+ 0 0 89 97,-0.2 23,-2.2 1,-0.1 24,-0.8 0.384 77.3 56.3-102.4 3.0 -10.8 -16.5 38.0 4 3 A V E -A 25 0A 2 21,-0.2 98,-0.4 96,-0.2 2,-0.4 -0.984 64.4-176.8-138.5 123.2 -9.1 -13.1 37.9 5 4 A E E -A 24 0A 17 19,-3.0 19,-2.5 -2,-0.4 2,-0.3 -0.956 4.9-162.8-125.7 141.6 -11.0 -9.8 38.4 6 5 A Q E -A 23 0A 2 -2,-0.4 17,-0.2 17,-0.2 96,-0.0 -0.907 10.7-127.8-126.9 149.7 -9.8 -6.2 38.2 7 6 A S E S+A 22 0A 2 15,-1.8 15,-3.3 -2,-0.3 2,-0.2 -0.979 82.4 37.8-144.8 144.5 -11.0 -2.8 39.4 8 7 A P - 0 0 9 0, 0.0 430,-0.3 0, 0.0 3,-0.1 0.684 66.9-158.6 -64.7 159.7 -11.5 -0.1 38.3 9 8 A Q S S- 0 0 55 428,-2.8 96,-2.2 1,-0.3 2,-0.3 0.896 78.2 -11.4 -69.6 -40.7 -12.8 -1.5 35.0 10 9 A S E +eF 105 437B 29 427,-1.0 427,-2.6 94,-0.2 -1,-0.3 -0.989 67.0 179.6-153.8 156.4 -12.0 1.9 33.5 11 10 A L E -eF 106 436B 8 94,-2.2 96,-2.4 -2,-0.3 2,-0.5 -0.963 19.1-151.5-161.7 147.1 -11.0 5.4 34.6 12 11 A V E +eF 107 435B 19 423,-2.6 422,-2.4 -2,-0.3 423,-1.0 -0.981 28.7 178.7-119.5 116.2 -10.1 8.7 33.2 13 12 A V E -e 108 0B 4 94,-3.1 96,-2.6 -2,-0.5 2,-0.3 -0.853 30.3-107.3-123.2 155.9 -7.7 10.7 35.5 14 13 A R E > -e 109 0B 2 -2,-0.3 3,-2.1 94,-0.2 66,-0.2 -0.575 48.7 -92.3 -82.6 141.7 -6.0 14.1 35.2 15 14 A Q T 3 S+ 0 0 55 94,-2.9 66,-0.2 -2,-0.3 -1,-0.1 -0.200 111.4 28.2 -53.7 136.1 -2.3 14.1 34.5 16 15 A G T 3 S+ 0 0 42 64,-1.9 63,-0.3 1,-0.4 -1,-0.2 0.152 91.8 121.2 97.3 -17.4 -0.1 14.2 37.7 17 16 A E < - 0 0 46 -3,-2.1 63,-2.4 62,-0.2 -1,-0.4 -0.455 62.1-125.8 -73.9 150.2 -2.7 12.4 39.8 18 17 A N - 0 0 104 61,-0.2 2,-0.3 60,-0.1 60,-0.2 -0.624 27.8-164.5 -87.7 154.1 -1.8 9.1 41.4 19 18 A C E - B 0 77A 8 58,-2.4 58,-2.9 -2,-0.2 2,-0.5 -0.992 12.5-146.7-141.0 159.1 -4.0 6.1 40.8 20 19 A V E - B 0 76A 79 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.980 10.0-165.0-124.5 125.1 -4.5 2.7 42.3 21 20 A L E - B 0 75A 0 54,-3.5 54,-2.5 -2,-0.5 2,-0.3 -0.846 10.6-157.0-108.6 149.0 -5.4 -0.5 40.4 22 21 A Q E -AB 7 74A 6 -15,-3.3 -15,-1.8 -2,-0.3 2,-0.3 -0.899 12.3-179.7-128.1 150.8 -6.7 -3.6 42.1 23 22 A a E +AB 6 73A 0 50,-2.6 50,-3.3 -2,-0.3 2,-0.3 -0.990 0.8 178.2-146.4 141.3 -6.8 -7.3 41.3 24 23 A N E -AB 5 72A 45 -19,-2.5 -19,-3.0 -2,-0.3 2,-0.3 -0.991 9.2-173.3-143.0 155.6 -8.1 -10.3 43.0 25 24 A Y E -A 4 0A 13 46,-2.1 -21,-0.2 -2,-0.3 -22,-0.1 -0.872 32.8-156.2-144.3 166.3 -8.2 -14.0 42.1 26 25 A S + 0 0 70 -23,-2.2 -22,-0.1 -2,-0.3 2,-0.1 0.294 59.0 123.5-124.8 2.0 -9.5 -17.5 42.9 27 26 A V - 0 0 5 -24,-0.8 -2,-0.1 44,-0.1 66,-0.1 -0.400 50.7-135.2 -72.5 139.6 -6.8 -19.3 40.9 28 27 A T S S+ 0 0 108 -2,-0.1 2,-0.1 1,-0.1 -2,-0.0 -0.984 81.7 44.4-137.4 138.1 -4.5 -21.9 42.4 29 28 A P + 0 0 69 0, 0.0 65,-0.1 0, 0.0 -1,-0.1 0.553 65.5 169.7 -73.4 158.3 -1.5 -22.4 42.1 30 29 A D + 0 0 24 -2,-0.1 3,-0.1 63,-0.1 41,-0.1 -0.525 15.6 148.3-133.6 61.8 -0.6 -18.7 42.4 31 30 A N S S+ 0 0 90 1,-0.1 2,-0.3 61,-0.0 -1,-0.1 0.852 73.3 15.0 -70.4 -32.8 3.2 -18.9 42.7 32 31 A H - 0 0 52 -3,-0.1 61,-2.8 2,-0.0 2,-0.4 -0.963 61.4-161.7-138.3 152.4 3.7 -15.5 41.0 33 32 A L E -GH 50 92B 1 17,-2.3 17,-3.1 -2,-0.3 2,-0.3 -0.996 16.5-171.6-133.5 137.7 1.5 -12.6 40.1 34 33 A R E -GH 49 91B 14 57,-3.0 57,-3.0 -2,-0.4 2,-0.5 -0.945 17.1-143.8-130.6 148.9 2.5 -10.0 37.4 35 34 A W E -GH 48 90B 0 13,-1.7 12,-3.3 -2,-0.3 13,-1.3 -0.957 20.5-172.2-111.4 135.0 1.2 -6.7 36.1 36 35 A Y E -GH 46 89B 3 53,-2.4 53,-2.6 -2,-0.5 2,-0.4 -0.915 13.0-146.3-122.2 149.3 1.5 -5.9 32.4 37 36 A K E -GH 45 88B 23 8,-2.5 8,-2.3 -2,-0.3 2,-0.4 -0.938 11.4-169.6-112.4 136.2 0.9 -2.6 30.5 38 37 A Q E -GH 44 87B 17 49,-2.7 49,-2.7 -2,-0.4 6,-0.2 -0.963 7.2-156.8-129.8 117.3 -0.5 -2.7 26.9 39 38 A D > - 0 0 64 4,-0.6 3,-2.5 -2,-0.4 47,-0.1 -0.414 49.5 -59.1 -79.8 162.3 -0.6 0.6 24.8 40 39 A T T 3 S- 0 0 105 45,-0.3 -1,-0.2 1,-0.3 3,-0.1 -0.184 123.0 -11.4 -41.8 116.2 -2.9 1.1 21.9 41 40 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.755 114.1 119.8 57.6 30.5 -2.2 -1.6 19.3 42 41 A K < - 0 0 92 -3,-2.5 -1,-0.2 1,-0.1 2,-0.1 -0.589 64.7-102.4-117.6 178.6 0.9 -2.7 21.1 43 42 A G - 0 0 11 -2,-0.2 -4,-0.6 1,-0.1 2,-0.3 -0.342 49.7 -83.6 -89.2 178.3 2.3 -5.8 22.8 44 43 A L E -G 38 0B 15 247,-0.2 2,-0.4 -6,-0.2 246,-0.4 -0.616 34.8-158.3 -88.5 146.0 2.4 -6.3 26.5 45 44 A V E -G 37 0B 62 -8,-2.3 -8,-2.5 -2,-0.3 2,-0.2 -0.990 20.7-123.8-125.3 126.1 5.2 -4.9 28.8 46 45 A L E +G 36 0B 48 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.485 28.0 176.8 -71.6 131.3 6.0 -6.4 32.2 47 46 A L E - 0 0 10 -12,-3.3 2,-0.3 1,-0.4 -11,-0.2 0.758 61.3 -13.5-103.8 -37.5 5.8 -3.9 35.0 48 47 A T E -G 35 0B 15 -13,-1.3 -13,-1.7 15,-0.0 2,-0.4 -0.983 48.1-142.4-164.8 158.2 6.4 -6.0 38.1 49 48 A V E -G 34 0B 48 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.999 16.1-166.2-128.6 125.0 6.6 -9.6 39.4 50 49 A L E +G 33 0B 0 -17,-3.1 -17,-2.3 -2,-0.4 15,-0.0 -0.946 19.6 155.6-116.5 137.0 5.3 -10.4 42.9 51 50 A V + 0 0 52 -2,-0.4 -1,-0.1 -19,-0.2 2,-0.1 0.654 39.0 85.7-133.4 -34.6 6.2 -13.8 44.5 52 51 A D S S- 0 0 97 1,-0.1 3,-0.2 2,-0.0 16,-0.2 -0.348 83.2-107.1 -84.3 162.3 6.1 -13.9 48.3 53 52 A Q S S+ 0 0 102 1,-0.3 15,-3.1 14,-0.1 2,-0.5 0.896 119.6 18.5 -54.2 -46.1 3.1 -14.5 50.6 54 53 A K E S+C 67 0A 123 13,-0.2 2,-0.3 14,-0.1 -1,-0.3 -0.999 94.9 172.0-119.6 122.0 3.0 -10.9 51.5 55 54 A D E -C 66 0A 36 11,-2.3 11,-2.3 -2,-0.5 2,-0.3 -0.941 20.9-173.3-135.7 157.3 5.1 -9.0 48.9 56 55 A K E -C 65 0A 169 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.982 10.2-174.6-149.2 132.5 5.8 -5.4 47.9 57 56 A T E -C 64 0A 28 7,-2.3 7,-2.2 -2,-0.3 2,-0.4 -0.931 12.0-154.9-133.3 158.3 7.8 -4.1 44.9 58 57 A S E +C 63 0A 110 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -1.000 17.0 165.2-133.5 128.3 9.0 -0.8 43.5 59 58 A N E > -C 62 0A 79 3,-3.5 3,-2.1 -2,-0.4 2,-0.3 -0.642 64.0 -77.1-144.1 83.1 9.7 0.1 39.9 60 59 A G T 3 S- 0 0 78 1,-0.3 -1,-0.2 -2,-0.2 18,-0.0 -0.469 119.5 -0.5 62.9-121.0 10.1 3.9 39.4 61 60 A R T 3 S+ 0 0 71 -2,-0.3 17,-2.6 -3,-0.1 2,-0.4 0.551 123.9 85.2 -75.4 -7.5 6.6 5.4 39.4 62 61 A Y E < +CD 59 77A 32 -3,-2.1 -3,-3.5 15,-0.2 2,-0.3 -0.789 49.4 170.9 -98.1 138.9 5.1 1.9 39.9 63 62 A S E -CD 58 76A 43 13,-1.9 13,-3.5 -2,-0.4 2,-0.3 -0.983 10.6-173.3-138.1 146.8 4.7 0.2 43.3 64 63 A A E -CD 57 75A 1 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.3 -0.962 10.8-157.7-141.2 157.9 2.8 -3.0 43.9 65 64 A T E -CD 56 74A 47 9,-2.2 9,-1.4 -2,-0.3 2,-0.3 -0.942 2.2-163.0-132.5 155.8 1.6 -5.2 46.7 66 65 A L E -CD 55 73A 5 -11,-2.3 -11,-2.3 -2,-0.3 2,-0.5 -0.988 8.3-177.8-140.5 131.2 0.5 -8.9 47.0 67 66 A D E >> -CD 54 72A 50 5,-2.7 5,-2.3 -2,-0.3 4,-1.0 -0.925 2.8-176.3-126.0 100.6 -1.4 -10.6 49.7 68 67 A K T 45S+ 0 0 18 -15,-3.1 -14,-0.1 -2,-0.5 -1,-0.1 0.742 81.5 62.3 -70.4 -24.5 -1.7 -14.3 48.9 69 68 A D T 45S+ 0 0 112 -16,-0.4 -1,-0.2 1,-0.2 -15,-0.1 0.934 117.2 29.4 -63.7 -46.1 -3.9 -15.0 51.9 70 69 A A T 45S- 0 0 61 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.581 106.3-128.7 -85.3 -13.0 -6.6 -12.7 50.5 71 70 A K T <5 + 0 0 58 -4,-1.0 -46,-2.1 1,-0.2 2,-0.4 0.964 64.0 136.0 57.3 57.3 -5.5 -13.5 46.9 72 71 A H E < -BD 24 67A 58 -5,-2.3 -5,-2.7 -48,-0.2 2,-0.3 -0.983 33.4-179.2-140.4 139.9 -5.3 -9.7 46.2 73 72 A S E -BD 23 66A 0 -50,-3.3 -50,-2.6 -2,-0.4 2,-0.3 -0.980 6.2-164.1-138.8 153.2 -2.9 -7.4 44.5 74 73 A T E -BD 22 65A 18 -9,-1.4 -9,-2.2 -2,-0.3 2,-0.4 -0.976 5.8-158.6-133.9 150.3 -2.7 -3.6 43.9 75 74 A L E -BD 21 64A 0 -54,-2.5 -54,-3.5 -2,-0.3 2,-0.5 -0.998 11.2-159.3-129.1 125.9 -0.6 -1.6 41.5 76 75 A H E -BD 20 63A 62 -13,-3.5 -13,-1.9 -2,-0.4 2,-0.6 -0.911 2.6-161.8-108.2 126.4 -0.0 2.1 42.4 77 76 A I E -BD 19 62A 0 -58,-2.9 -58,-2.4 -2,-0.5 3,-0.4 -0.959 13.8-151.5-107.7 115.9 1.0 4.6 39.6 78 77 A T - 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