==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 06-MAR-07 2P1Y . COMPND 2 MOLECULE: BISPECIFIC ALPHA/BETA TCR; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.MCBETH,J.C.PIZARRO,R.K.STRONG . 896 11 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 607 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 365 40.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 2 0.2 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 . 70 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 7 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 . 5 6 16 19 0 15 8 0 0 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 2 3 4 0 8 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 3 A A 0 0 69 0, 0.0 23,-2.5 0, 0.0 24,-0.5 0.000 360.0 360.0 360.0 142.7 38.0 42.6 29.9 2 4 A V E -A 23 0A 15 96,-0.3 2,-0.4 21,-0.2 98,-0.3 -0.994 360.0-174.0-123.1 126.2 35.8 40.6 27.6 3 5 A T E -A 22 0A 62 19,-3.1 19,-3.0 -2,-0.4 2,-0.3 -0.960 7.7-160.6-129.1 139.4 32.5 42.5 27.0 4 6 A Q E -A 21 0A 1 -2,-0.4 17,-0.2 17,-0.2 3,-0.1 -0.776 14.1-129.9-124.4 156.3 29.5 41.2 25.1 5 7 A S E S+A 20 0A 70 15,-1.8 15,-3.4 -2,-0.3 2,-0.1 -0.933 80.3 29.0-163.3 128.8 26.7 43.2 23.7 6 8 A P - 0 0 44 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.724 62.3-167.3 -80.1 175.2 23.8 42.8 23.9 7 9 A R S S+ 0 0 112 1,-0.3 96,-2.5 95,-0.1 2,-0.3 0.704 79.0 24.0-100.6 -21.5 23.3 41.2 27.3 8 10 A N E S+c 103 0B 123 94,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.992 70.4 172.7-144.1 139.6 19.6 40.2 26.7 9 11 A K E -c 104 0B 91 94,-1.9 96,-2.2 -2,-0.3 2,-0.4 -0.988 15.7-165.6-151.9 136.0 17.9 39.7 23.4 10 12 A V E +c 105 0B 94 -2,-0.3 2,-0.3 94,-0.2 96,-0.2 -0.978 20.8 172.8-121.5 134.7 14.5 38.5 22.3 11 13 A A E -c 106 0B 14 94,-2.6 96,-3.2 -2,-0.4 2,-0.2 -0.978 28.6-116.0-139.4 169.7 14.0 37.6 18.7 12 14 A V E > -c 107 0B 94 -2,-0.3 3,-2.2 94,-0.2 67,-0.3 -0.591 45.1 -88.8-105.4 149.3 11.4 36.0 16.5 13 15 A T T 3 S+ 0 0 44 94,-0.9 67,-0.2 1,-0.2 -1,-0.1 -0.470 117.9 24.5 -63.8 130.4 11.9 32.7 14.6 14 16 A G T 3 S+ 0 0 41 65,-2.8 -1,-0.2 1,-0.3 66,-0.1 0.106 98.3 123.1 102.6 -19.9 13.4 33.4 11.2 15 17 A G < - 0 0 24 -3,-2.2 64,-3.0 64,-0.2 2,-0.4 0.002 63.3-115.4 -61.0 171.4 14.9 36.7 12.4 16 18 A K - 0 0 135 62,-0.2 2,-0.4 -3,-0.1 61,-0.2 -0.952 29.3-172.8-113.4 133.8 18.7 37.6 12.3 17 19 A V E -I 76 0C 4 59,-2.6 59,-2.9 -2,-0.4 2,-0.4 -0.976 7.3-167.1-124.6 136.5 20.7 38.1 15.5 18 20 A T E -I 75 0C 61 -2,-0.4 2,-0.4 57,-0.2 57,-0.2 -0.998 5.9-161.1-121.4 131.1 24.3 39.3 15.8 19 21 A L E -I 74 0C 0 55,-3.1 55,-2.5 -2,-0.4 2,-0.4 -0.935 12.6-151.9-108.7 131.8 26.2 39.0 19.2 20 22 A S E -A 5 0A 59 -15,-3.4 -15,-1.8 -2,-0.4 2,-0.4 -0.833 10.9-169.9-108.3 144.4 29.2 41.1 19.7 21 23 A a E -A 4 0A 2 51,-0.4 51,-1.8 -2,-0.4 2,-0.5 -0.990 1.7-174.3-131.4 133.1 32.3 40.5 21.7 22 24 A N E -AB 3 71A 47 -19,-3.0 -19,-3.1 -2,-0.4 2,-0.3 -0.981 4.9-172.3-124.4 125.7 35.1 43.0 22.6 23 25 A Q E -A 2 0A 1 47,-2.1 -21,-0.2 -2,-0.5 -2,-0.0 -0.882 19.1-173.5-115.8 155.3 38.2 42.1 24.5 24 26 A T + 0 0 85 -23,-2.5 -22,-0.1 -2,-0.3 -1,-0.1 0.212 68.0 94.8-119.8 4.8 41.1 44.4 25.8 25 27 A N S S- 0 0 45 -24,-0.5 -23,-0.1 45,-0.1 -1,-0.1 0.542 89.6-128.9 -74.6 -12.9 43.3 41.5 26.9 26 28 A N + 0 0 130 1,-0.2 2,-0.3 2,-0.0 44,-0.1 0.820 51.9 160.7 65.1 25.4 45.3 41.7 23.6 27 29 A H - 0 0 21 1,-0.1 -1,-0.2 42,-0.1 66,-0.1 -0.641 42.6-146.1 -84.5 142.7 44.8 37.9 23.1 28 30 A N S S+ 0 0 90 -2,-0.3 2,-0.3 64,-0.2 65,-0.1 0.868 80.3 64.1 -75.7 -37.6 45.1 36.1 19.8 29 31 A N E +D 92 0B 34 63,-2.0 63,-2.8 19,-0.1 2,-0.3 -0.686 56.4 175.4 -94.1 134.6 42.4 33.5 20.5 30 32 A M E -DE 91 47B 0 17,-2.0 17,-2.6 -2,-0.3 2,-0.3 -0.954 8.4-165.2-134.9 158.1 38.6 34.1 21.0 31 33 A Y E -DE 90 46B 28 59,-1.9 59,-1.5 -2,-0.3 2,-0.4 -0.939 14.4-149.2-144.2 142.9 35.7 31.6 21.5 32 34 A W E +DE 89 45B 0 13,-2.3 12,-3.2 -2,-0.3 13,-0.8 -0.998 26.8 168.9-116.6 120.7 31.9 31.5 21.4 33 35 A Y E -DE 88 43B 7 55,-2.8 55,-2.0 -2,-0.4 2,-0.3 -0.830 22.3-146.8-117.9 162.0 30.2 29.0 23.6 34 36 A R E -DE 87 42B 28 8,-1.9 8,-2.2 -2,-0.3 2,-0.5 -0.943 12.9-140.5-123.2 161.8 26.6 28.4 24.6 35 37 A Q E +DE 86 41B 44 51,-2.3 51,-1.0 -2,-0.3 2,-0.3 -0.975 28.1 164.9-124.9 120.4 25.6 27.1 28.0 36 38 A D E >> - E 0 40B 32 4,-2.1 3,-2.1 -2,-0.5 4,-1.4 -0.983 43.6 -91.7-136.6 153.0 22.6 24.6 28.3 37 39 A T T 34 S+ 0 0 142 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.260 114.0 9.8 -51.2 125.5 21.2 22.2 30.9 38 40 A G T 34 S+ 0 0 62 420,-0.1 -1,-0.3 1,-0.1 420,-0.0 0.453 125.9 64.7 83.5 -11.4 22.7 18.7 30.4 39 41 A H T <4 S- 0 0 87 -3,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.531 75.8-162.4-122.4 -14.3 25.3 20.0 27.9 40 42 A G E < -E 36 0B 7 -4,-1.4 -4,-2.1 418,-0.2 2,-0.5 -0.385 63.0 -14.2 54.4-137.0 27.5 22.4 30.0 41 43 A L E -E 35 0B 16 416,-0.4 2,-0.5 -6,-0.2 415,-0.2 -0.752 66.2-169.4 -99.0 122.1 29.5 24.7 27.6 42 44 A R E -E 34 0B 61 -8,-2.2 -8,-1.9 -2,-0.5 2,-0.5 -0.950 23.1-123.5-119.3 136.8 29.7 23.8 23.9 43 45 A L E +E 33 0B 23 -2,-0.5 15,-2.1 -10,-0.2 14,-1.7 -0.578 28.5 176.3 -79.5 118.2 32.0 25.5 21.6 44 46 A I E - 0 0 0 -12,-3.2 12,-2.9 -2,-0.5 2,-0.3 0.936 63.6 -21.3 -85.9 -58.1 30.3 27.0 18.7 45 47 A H E -EF 32 55B 8 -13,-0.8 -13,-2.3 10,-0.3 -1,-0.4 -0.967 61.3-170.4-146.4 158.1 33.1 28.8 16.7 46 48 A Y E -EF 31 54B 60 8,-3.0 8,-3.7 -2,-0.3 2,-0.3 -0.831 10.2-145.4-144.1 179.0 36.5 30.1 17.6 47 49 A S E -E 30 0B 0 -17,-2.6 -17,-2.0 -2,-0.3 6,-0.1 -0.968 9.3-162.1-148.8 133.8 39.3 32.3 16.1 48 50 A Y S S- 0 0 131 -2,-0.3 2,-0.3 1,-0.2 -19,-0.1 0.367 76.1 -21.8-103.6 7.5 43.1 32.1 16.5 49 51 A G S > S- 0 0 14 3,-0.4 3,-1.8 -19,-0.1 -1,-0.2 -0.888 93.3 -42.3 173.6 178.7 43.7 35.6 15.3 50 52 A A T 3 S+ 0 0 60 -2,-0.3 19,-0.1 1,-0.2 3,-0.1 -0.167 123.2 15.9 -51.9 140.4 42.4 38.7 13.4 51 53 A G T 3 S+ 0 0 71 15,-3.2 2,-0.3 17,-0.2 -1,-0.2 0.428 106.1 104.8 73.6 -0.4 40.7 37.7 10.0 52 54 A S < + 0 0 15 -3,-1.8 -3,-0.4 14,-0.2 2,-0.3 -0.902 40.7 177.6-123.7 141.2 40.4 34.0 11.0 53 55 A T - 0 0 67 -2,-0.3 2,-0.4 -6,-0.1 -6,-0.3 -0.985 7.4-166.5-138.2 137.7 37.3 31.9 12.1 54 56 A E E -F 46 0B 85 -8,-3.7 -8,-3.0 -2,-0.3 2,-0.1 -1.000 27.0-117.3-129.8 128.9 37.3 28.1 12.9 55 57 A K E -F 45 0B 145 -2,-0.4 -10,-0.3 -10,-0.2 -11,-0.1 -0.489 33.7-155.0 -62.6 139.9 34.1 26.0 13.3 56 58 A G - 0 0 17 -12,-2.9 -12,-0.2 -2,-0.1 -11,-0.1 0.274 43.6 -65.1 -91.8-142.2 33.8 24.6 16.9 57 59 A D S S+ 0 0 116 -14,-1.7 -13,-0.2 1,-0.2 -12,-0.1 0.796 131.4 30.4 -80.2 -31.1 32.0 21.4 18.0 58 60 A I S S+ 0 0 44 -15,-2.1 -1,-0.2 1,-0.1 -14,-0.1 -0.403 70.0 146.1-129.1 57.1 28.5 22.8 17.2 59 61 A P > + 0 0 21 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.662 30.6 116.1 -70.0 -18.7 28.8 25.2 14.2 60 62 A D T 3 S+ 0 0 141 1,-0.2 3,-0.1 -5,-0.0 -2,-0.0 -0.336 81.1 16.5 -69.3 137.1 25.5 24.6 12.4 61 63 A G T 3 S+ 0 0 53 1,-0.2 17,-0.3 -2,-0.1 2,-0.3 0.442 114.4 82.5 85.5 0.0 23.1 27.5 12.3 62 65 A Y < - 0 0 17 -3,-1.7 2,-0.3 14,-0.2 14,-0.2 -0.983 51.0-171.1-136.8 143.6 25.9 30.1 13.2 63 66 A K E -J 75 0C 120 12,-2.7 12,-2.7 -2,-0.3 2,-0.3 -0.866 12.1-154.0-121.3 168.0 28.6 32.0 11.5 64 67 A A E -J 74 0C 21 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.940 5.2-160.6-140.0 159.2 31.4 34.1 13.0 65 68 A S E -J 73 0C 55 8,-1.4 8,-2.6 -2,-0.3 3,-0.1 -0.985 6.9-168.7-144.9 125.8 33.6 37.1 11.9 66 69 A R + 0 0 4 -2,-0.3 -15,-3.2 6,-0.2 6,-0.2 -0.787 18.9 165.8-108.6 80.0 36.9 38.2 13.5 67 70 A P - 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