==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-APR-12 4ELK . COMPND 2 MOLECULE: HY19.3 TCR ALPHA CHAIN (MOUSE VARIABLE DOMAIN, HU . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR E.GIRARDI,I.MARICIC,J.WANG,T.T.MAC,P.IYER,V.KUMAR,D.M.ZAJONC . 886 9 10 6 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 329 37.1 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 80 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 2.7 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 2 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 . 3 7 14 6 10 6 6 4 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 2 4 2 0 0 0 1 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 3 A Q 0 0 121 0, 0.0 24,-0.2 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 103.5 10.0 -4.7 -13.5 2 4 A K + 0 0 29 1,-0.2 23,-2.3 99,-0.1 2,-0.5 0.870 360.0 46.4 -69.1 -40.6 9.7 -8.5 -13.2 3 5 A V E S-A 24 0A 1 98,-0.4 2,-0.5 21,-0.2 100,-0.4 -0.933 74.6-164.7-112.6 122.1 6.4 -8.8 -15.2 4 6 A Q E -A 23 0A 65 19,-2.9 19,-2.2 -2,-0.5 2,-0.3 -0.907 5.6-170.7-115.0 128.3 6.3 -6.8 -18.5 5 7 A Q E -A 22 0A 31 -2,-0.5 17,-0.2 17,-0.2 98,-0.1 -0.851 10.8-126.9-119.0 151.9 3.1 -6.1 -20.3 6 8 A S E S+A 21 0A 15 15,-2.1 15,-3.2 -2,-0.3 2,-0.1 -0.976 70.3 30.8-151.5 154.0 2.2 -4.7 -23.7 7 9 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.687 64.9-141.0 -79.1 174.3 0.7 -2.8 -25.2 8 10 A E S S- 0 0 83 1,-0.2 98,-1.7 -2,-0.1 2,-0.3 0.869 83.6 -9.0 -64.0 -37.2 0.6 0.2 -22.8 9 11 A S E -e 106 0B 79 96,-0.2 2,-0.3 76,-0.0 98,-0.2 -0.973 65.8-159.2-155.4 166.7 -3.0 0.9 -23.9 10 12 A L E -e 107 0B 13 96,-2.5 98,-2.5 -2,-0.3 2,-0.4 -0.976 9.7-149.4-157.6 134.2 -5.5 -0.3 -26.5 11 13 A S E -e 108 0B 62 -2,-0.3 98,-0.2 96,-0.2 96,-0.1 -0.917 21.0-177.8-106.5 134.1 -8.7 1.0 -28.2 12 14 A V E -e 109 0B 1 96,-2.9 98,-2.3 -2,-0.4 3,-0.1 -0.994 24.7-126.2-136.1 126.4 -11.1 -1.6 -29.4 13 15 A P E > -e 110 0B 1 0, 0.0 3,-2.2 0, 0.0 65,-0.2 -0.425 46.1 -89.9 -64.3 149.3 -14.4 -1.1 -31.3 14 16 A E T 3 S+ 0 0 65 96,-2.1 65,-0.2 1,-0.3 3,-0.1 -0.380 120.2 26.1 -54.7 137.5 -17.4 -2.8 -29.6 15 17 A G T 3 S+ 0 0 24 63,-3.0 62,-0.5 1,-0.3 -1,-0.3 0.290 105.4 119.8 87.1 -8.5 -17.7 -6.3 -31.0 16 18 A G < - 0 0 0 -3,-2.2 62,-2.8 62,-0.2 -1,-0.3 -0.169 61.2-109.6 -90.1-179.1 -14.0 -6.3 -31.7 17 19 A M - 0 0 18 60,-0.2 2,-0.3 59,-0.2 59,-0.2 -0.662 24.8-170.1-107.0 157.3 -10.9 -8.4 -30.7 18 20 A A E - B 0 75A 1 57,-1.6 57,-2.5 -2,-0.2 2,-0.4 -0.991 8.0-158.2-150.1 145.3 -8.0 -7.5 -28.5 19 21 A S E - B 0 74A 5 -2,-0.3 2,-0.4 55,-0.2 55,-0.2 -0.989 8.0-172.2-128.2 124.7 -4.7 -9.1 -27.7 20 22 A L E - B 0 73A 0 53,-2.9 53,-2.0 -2,-0.4 2,-0.3 -0.912 10.0-155.5-116.0 143.0 -2.7 -8.4 -24.6 21 23 A N E -AB 6 72A 8 -15,-3.2 -15,-2.1 -2,-0.4 2,-0.3 -0.885 11.1-178.7-122.2 154.2 0.8 -9.8 -24.1 22 24 A a E +AB 5 71A 2 49,-2.7 49,-2.6 -2,-0.3 2,-0.3 -0.995 2.6 176.8-150.4 146.7 2.8 -10.5 -21.0 23 25 A T E -AB 4 70A 29 -19,-2.2 -19,-2.9 -2,-0.3 2,-0.4 -0.970 19.7-138.7-142.8 160.1 6.3 -11.7 -20.1 24 26 A S E -A 3 0A 6 45,-0.7 -21,-0.2 -2,-0.3 -22,-0.1 -0.980 4.3-156.8-117.4 137.0 8.5 -12.4 -17.1 25 27 A S S S+ 0 0 81 -23,-2.3 2,-0.4 -2,-0.4 -22,-0.1 0.338 84.6 69.4 -85.2 7.5 12.2 -11.5 -17.0 26 28 A D > - 0 0 54 -24,-0.4 3,-1.6 3,-0.2 -1,-0.1 -0.960 69.5-154.7-134.2 111.1 12.5 -14.1 -14.2 27 29 A R T 3 S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 42,-0.1 0.652 89.7 73.1 -63.3 -14.1 12.0 -17.8 -15.0 28 30 A N T 3 S+ 0 0 116 1,-0.2 65,-1.2 64,-0.1 2,-1.1 0.835 82.9 71.8 -69.5 -33.1 11.0 -18.5 -11.4 29 31 A F E < +F 92 0B 36 -3,-1.6 63,-0.2 63,-0.2 -3,-0.2 -0.735 54.3 141.4 -86.0 97.5 7.6 -16.8 -11.9 30 32 A Q E + 0 0 19 -2,-1.1 2,-0.6 61,-0.7 -1,-0.2 0.370 45.1 83.5-119.5 0.3 5.8 -19.4 -14.1 31 33 A Y E -F 91 0B 65 60,-1.4 60,-1.8 -3,-0.1 2,-0.3 -0.926 64.1-169.0-114.0 112.3 2.3 -19.2 -12.7 32 34 A F E -FG 90 49B 0 17,-1.7 17,-2.9 -2,-0.6 2,-0.3 -0.716 15.5-171.5-113.3 150.9 0.2 -16.4 -14.2 33 35 A W E -FG 89 48B 17 56,-3.1 56,-3.0 -2,-0.3 2,-0.5 -0.965 15.5-144.9-130.9 147.1 -3.1 -14.7 -13.6 34 36 A W E -FG 88 47B 0 13,-2.8 12,-3.3 -2,-0.3 13,-1.2 -0.978 24.5-177.0-108.9 128.6 -5.0 -12.1 -15.6 35 37 A Y E -FG 87 45B 0 52,-2.8 52,-2.7 -2,-0.5 2,-0.4 -0.920 12.9-151.4-122.6 149.2 -6.9 -9.6 -13.5 36 38 A R E -FG 86 44B 47 8,-2.6 8,-2.1 -2,-0.3 2,-0.4 -0.952 7.6-167.1-120.3 142.4 -9.2 -6.8 -14.5 37 39 A Q E -F 85 0B 12 48,-2.4 48,-2.4 -2,-0.4 2,-0.2 -0.950 5.1-157.6-133.3 115.8 -9.8 -3.6 -12.6 38 40 A H > - 0 0 54 4,-0.4 3,-2.0 -2,-0.4 46,-0.1 -0.506 45.4 -78.0 -81.4 155.7 -12.6 -1.1 -13.3 39 41 A S T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.296 118.8 11.3 -53.0 127.7 -12.3 2.5 -12.2 40 42 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.609 114.4 89.4 80.1 11.1 -13.0 2.8 -8.4 41 43 A E S < S- 0 0 104 -3,-2.0 -1,-0.3 3,-0.0 266,-0.1 -0.786 76.0-102.1-127.5 176.3 -12.9 -1.0 -7.8 42 44 A G - 0 0 10 -2,-0.3 -4,-0.4 264,-0.2 -6,-0.1 -0.554 50.5 -81.5 -91.6 163.6 -10.4 -3.6 -6.9 43 45 A P - 0 0 3 0, 0.0 263,-0.7 0, 0.0 2,-0.4 -0.285 40.7-158.4 -59.5 149.1 -8.9 -6.2 -9.3 44 46 A K E -G 36 0B 112 -8,-2.1 -8,-2.6 261,-0.1 261,-0.1 -0.997 22.4-114.9-135.9 125.0 -10.9 -9.2 -10.1 45 47 A A E -G 35 0B 7 259,-0.4 -10,-0.3 -2,-0.4 3,-0.1 -0.342 25.8-176.0 -58.5 135.0 -9.4 -12.4 -11.4 46 48 A L E - 0 0 27 -12,-3.3 2,-0.3 1,-0.5 -11,-0.2 0.811 65.5 -41.6 -90.6 -51.3 -10.4 -13.3 -15.0 47 49 A M E -G 34 0B 10 -13,-1.2 -13,-2.8 14,-0.0 -1,-0.5 -0.961 50.2-125.6-169.1 160.1 -8.6 -16.5 -15.2 48 50 A S E -G 33 0B 19 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.3 -0.786 13.4-162.5-106.4 158.5 -5.3 -18.2 -14.3 49 51 A I E +G 32 0B 1 -17,-2.9 -17,-1.7 -2,-0.3 4,-0.1 -0.855 23.0 155.4-143.5 112.0 -3.0 -20.1 -16.6 50 52 A F + 0 0 50 -2,-0.3 2,-0.3 -19,-0.2 -1,-0.1 0.518 60.0 56.8-109.7 -13.4 -0.4 -22.4 -15.0 51 53 A S S S- 0 0 87 1,-0.0 13,-0.2 2,-0.0 -1,-0.1 -0.933 92.7 -89.9-123.6 148.7 0.2 -24.9 -17.9 52 54 A D S S+ 0 0 91 -2,-0.3 2,-0.3 11,-0.1 13,-0.2 -0.199 87.9 39.8 -46.6 135.3 1.4 -24.5 -21.5 53 55 A G E S-C 64 0A 28 11,-2.6 11,-2.2 -4,-0.1 2,-0.3 -0.845 92.0 -40.5 127.5-158.7 -1.5 -24.0 -23.9 54 56 A D E -C 63 0A 96 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.856 39.6-173.3-113.1 144.6 -4.8 -22.3 -24.3 55 57 A K E -C 62 0A 93 7,-2.2 7,-2.2 -2,-0.3 2,-0.4 -0.981 10.9-151.8-131.3 147.0 -7.6 -21.8 -21.7 56 58 A K E +C 61 0A 158 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.946 19.7 170.9-124.3 139.9 -11.0 -20.3 -22.3 57 59 A E E > -C 60 0A 118 3,-2.8 3,-2.0 -2,-0.4 2,-0.2 -0.798 68.1 -61.5-143.1 96.6 -13.4 -18.5 -20.0 58 60 A G T 3 S- 0 0 67 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.427 120.8 -9.9 66.6-127.4 -16.3 -17.0 -21.9 59 61 A R T 3 S+ 0 0 67 -2,-0.2 17,-2.4 -3,-0.1 2,-0.4 0.415 122.5 90.5 -83.5 2.9 -15.2 -14.4 -24.4 60 62 A F E < -CD 57 75A 17 -3,-2.0 -3,-2.8 15,-0.2 2,-0.4 -0.822 52.1-174.4-108.4 138.5 -11.6 -14.6 -23.0 61 63 A T E -CD 56 74A 13 13,-2.2 13,-2.6 -2,-0.4 2,-0.4 -0.981 5.9-162.2-132.2 124.0 -8.8 -16.9 -23.9 62 64 A A E -CD 55 73A 0 -7,-2.2 -7,-2.2 -2,-0.4 2,-0.4 -0.805 5.2-166.1-101.7 144.5 -5.4 -17.1 -22.2 63 65 A H E -CD 54 72A 59 9,-2.0 9,-2.0 -2,-0.4 2,-0.4 -0.995 3.8-173.3-130.5 137.2 -2.3 -18.6 -23.7 64 66 A L E -CD 53 71A 1 -11,-2.2 -11,-2.6 -2,-0.4 2,-0.4 -0.993 15.2-179.8-129.9 135.7 1.0 -19.7 -22.1 65 67 A N E >> - D 0 70A 57 5,-2.6 5,-2.1 -2,-0.4 4,-0.8 -0.912 8.2-173.0-127.1 103.4 4.3 -20.9 -23.4 66 68 A K T 45S+ 0 0 62 -2,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.866 78.9 66.4 -65.2 -40.3 6.6 -21.5 -20.4 67 69 A A T 45S+ 0 0 97 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.908 121.3 20.4 -47.8 -48.4 9.6 -22.2 -22.5 68 70 A S T 45S- 0 0 48 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.430 104.7-125.9 -99.6 -1.3 9.6 -18.6 -23.6 69 71 A L T <5 + 0 0 17 -4,-0.8 -45,-0.7 -3,-0.3 2,-0.5 0.961 53.8 156.4 48.3 54.2 7.5 -17.3 -20.8 70 72 A H E < +BD 23 65A 39 -5,-2.1 -5,-2.6 -47,-0.1 2,-0.4 -0.956 14.8 175.8-105.8 130.2 5.0 -15.7 -23.2 71 73 A V E +BD 22 64A 2 -49,-2.6 -49,-2.7 -2,-0.5 2,-0.3 -0.979 2.2 175.0-129.1 144.7 1.5 -15.2 -21.8 72 74 A S E -BD 21 63A 5 -9,-2.0 -9,-2.0 -2,-0.4 2,-0.4 -0.980 23.5-145.6-146.4 162.0 -1.4 -13.5 -23.5 73 75 A L E -BD 20 62A 0 -53,-2.0 -53,-2.9 -2,-0.3 2,-0.5 -0.996 14.4-163.4-124.1 133.5 -5.0 -12.7 -23.1 74 76 A H E -BD 19 61A 24 -13,-2.6 -13,-2.2 -2,-0.4 2,-0.5 -0.973 4.2-160.4-121.0 120.0 -7.3 -12.6 -26.1 75 77 A I E -BD 18 60A 0 -57,-2.5 -57,-1.6 -2,-0.5 2,-0.3 -0.882 5.9-163.8-102.5 128.9 -10.7 -10.9 -25.9 76 78 A R + 0 0 36 -17,-2.4 -59,-0.2 -2,-0.5 -60,-0.2 -0.813 67.5 6.7-106.7 149.0 -13.5 -11.7 -28.4 77 79 A D S S- 0 0 86 -62,-0.5 -1,-0.2 -2,-0.3 -61,-0.2 0.912 87.6-140.3 53.2 54.4 -16.6 -9.7 -29.1 78 80 A S - 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