==== 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 28-NOV-02 1NAM . COMPND 2 MOLECULE: BM3.3 T CELL RECEPTOR ALPHA-CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.-B.REISER,C.DARNAULT,C.GREGOIRE,T.MOSSER,G.MAZZA,A.KEARNAY . 612 5 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 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 . 62 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 5 7 6 3 3 8 3 1 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 1 2 2 3 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 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 A Q 0 0 122 0, 0.0 3,-0.2 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 160.6 13.0 12.1 6.1 2 2 A K + 0 0 63 1,-0.2 23,-2.5 22,-0.1 2,-0.4 0.899 360.0 17.7 -56.7 -52.1 10.6 14.2 8.4 3 3 A V E S-A 24 0A 1 103,-0.3 2,-0.5 21,-0.2 21,-0.2 -0.979 79.6-171.0-121.0 123.7 8.2 15.2 5.6 4 4 A T E -A 23 0A 45 19,-3.4 19,-2.1 -2,-0.4 2,-0.7 -0.929 18.8-175.2-123.1 120.2 8.2 13.2 2.4 5 5 A Q - 0 0 5 -2,-0.5 17,-0.1 17,-0.2 103,-0.1 -0.826 8.5-172.5-107.3 96.0 6.5 13.8 -0.9 6 6 A T + 0 0 110 -2,-0.7 2,-0.5 104,-0.0 -1,-0.1 0.741 60.9 76.3 -53.7 -32.7 7.3 10.8 -3.1 7 7 A Q - 0 0 34 14,-0.2 3,-0.1 1,-0.2 104,-0.1 -0.733 54.0-169.0 -95.1 133.1 5.8 12.1 -6.3 8 8 A T S S- 0 0 119 -2,-0.5 103,-3.0 1,-0.2 2,-0.3 0.936 71.2 -4.2 -77.3 -50.5 7.5 14.7 -8.5 9 9 A S E -f 111 0B 75 101,-0.2 2,-0.4 79,-0.1 -1,-0.2 -0.972 52.0-156.4-144.6 159.3 4.6 15.6 -10.8 10 10 A I E -f 112 0B 31 101,-2.1 103,-3.3 -2,-0.3 2,-0.5 -0.998 7.3-163.9-132.9 136.4 1.1 14.6 -11.7 11 11 A S E +f 113 0B 79 -2,-0.4 2,-0.3 101,-0.2 103,-0.2 -0.991 23.5 156.8-119.0 125.9 -0.6 15.3 -15.0 12 12 A V E -f 114 0B 29 101,-2.9 103,-3.4 -2,-0.5 2,-0.1 -0.928 38.0-101.5-142.8 170.9 -4.4 15.1 -15.2 13 13 A M E > -f 115 0B 102 -2,-0.3 3,-1.2 101,-0.2 68,-0.2 -0.412 48.9 -88.4 -84.2 161.6 -7.4 16.2 -17.1 14 14 A E T 3 S+ 0 0 65 101,-1.6 68,-0.2 102,-0.5 -1,-0.2 -0.296 113.4 24.9 -58.0 157.9 -9.8 19.0 -16.2 15 15 A K T 3 S+ 0 0 173 66,-2.9 65,-0.3 1,-0.2 -1,-0.2 0.350 95.2 120.5 68.9 -7.2 -12.6 17.8 -13.9 16 16 A T < - 0 0 59 -3,-1.2 65,-3.0 65,-0.2 2,-0.5 -0.150 64.4-117.4 -72.7-179.9 -10.7 14.8 -12.6 17 17 A T - 0 0 74 63,-0.2 2,-0.4 62,-0.2 62,-0.2 -0.990 29.0-162.8-122.6 124.8 -9.9 14.2 -9.0 18 18 A V E -B 78 0A 8 60,-1.8 60,-2.7 -2,-0.5 2,-0.4 -0.881 8.9-158.6-112.8 143.7 -6.2 14.0 -7.8 19 19 A T E -B 77 0A 69 -2,-0.4 2,-0.5 58,-0.2 58,-0.2 -0.977 6.6-159.7-113.5 128.4 -4.6 12.7 -4.7 20 20 A M E -B 76 0A 0 56,-2.3 56,-1.9 -2,-0.4 54,-0.0 -0.943 16.6-137.0-107.3 123.9 -1.1 13.9 -3.6 21 21 A D + 0 0 73 -2,-0.5 2,-0.3 54,-0.2 -14,-0.2 -0.330 26.4 168.8 -72.6 155.7 0.8 11.6 -1.2 22 22 A a - 0 0 0 -17,-0.1 52,-2.5 -16,-0.1 2,-0.3 -0.837 9.1-172.6-160.6 137.2 2.7 12.8 1.8 23 23 A V E -AC 4 73A 67 -19,-2.1 -19,-3.4 -2,-0.3 2,-0.3 -0.937 12.2-171.8-129.1 151.3 4.2 10.7 4.6 24 24 A Y E -A 3 0A 3 48,-2.3 2,-0.3 -2,-0.3 -21,-0.2 -0.913 17.0-149.7-142.6 160.7 5.8 12.2 7.8 25 25 A E + 0 0 108 -23,-2.5 2,-0.3 -2,-0.3 -2,-0.0 -0.994 27.4 145.0-134.1 136.2 7.8 11.3 10.9 26 26 A T - 0 0 33 -2,-0.3 -2,-0.0 2,-0.1 5,-0.0 -0.960 38.7-149.4-160.2 149.1 7.7 13.0 14.3 27 27 A Q + 0 0 97 -2,-0.3 2,-0.2 3,-0.0 3,-0.0 0.277 60.8 121.8-103.8 12.0 8.0 12.0 17.9 28 28 A D - 0 0 46 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 -0.468 62.2-139.7 -74.9 142.0 5.7 14.7 19.2 29 29 A S S S+ 0 0 77 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.938 94.4 28.7 -63.2 -47.9 2.6 13.9 21.1 30 30 A S S S+ 0 0 27 22,-0.1 2,-0.3 23,-0.0 -1,-0.2 -0.947 78.1 164.8-116.8 139.2 0.7 16.6 19.3 31 30AA Y - 0 0 18 -2,-0.4 21,-2.2 -3,-0.1 2,-0.4 -0.947 25.2-136.9-150.2 169.4 1.5 17.8 15.8 32 31 A F E -G 51 0B 11 -2,-0.3 62,-2.2 19,-0.2 2,-0.4 -0.990 11.3-160.5-138.3 137.3 0.1 19.8 12.9 33 32 A L E -GH 50 93B 1 17,-2.2 17,-2.5 -2,-0.4 2,-0.3 -0.929 13.2-174.3-124.1 137.0 0.2 19.0 9.1 34 33 A F E -GH 49 92B 1 58,-3.6 58,-3.4 -2,-0.4 2,-0.4 -0.942 20.1-150.9-135.3 158.2 -0.3 21.5 6.3 35 34 A W E +GH 48 91B 0 13,-2.1 12,-2.5 -2,-0.3 13,-1.3 -0.989 20.8 172.3-123.1 135.0 -0.7 21.8 2.6 36 35 A Y E -GH 46 90B 0 54,-2.7 54,-3.2 -2,-0.4 2,-0.4 -0.893 17.1-147.4-128.3 158.5 0.4 25.0 0.8 37 36 A K E -GH 45 89B 22 8,-2.6 8,-2.8 -2,-0.3 2,-0.4 -0.983 3.4-149.7-129.9 149.7 0.6 25.6 -2.9 38 37 A Q E -GH 44 88B 7 50,-2.8 50,-2.1 -2,-0.4 6,-0.2 -0.966 15.4-147.6-118.8 130.7 3.1 27.8 -4.8 39 38 A T > - 0 0 41 4,-1.8 3,-3.0 -2,-0.4 48,-0.1 -0.397 34.6 -91.0 -94.3 170.0 2.1 29.5 -8.1 40 39 A A T 3 S+ 0 0 119 1,-0.3 -1,-0.1 46,-0.3 47,-0.1 0.826 126.8 52.9 -46.8 -39.2 4.1 30.4 -11.2 41 40 A S T 3 S- 0 0 98 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.391 120.5-108.8 -84.1 6.0 4.9 33.8 -9.7 42 41 A G < + 0 0 15 -3,-3.0 2,-0.3 1,-0.3 -2,-0.1 0.588 66.1 146.2 85.7 9.7 6.2 32.2 -6.6 43 42 A E - 0 0 94 1,-0.0 -4,-1.8 181,-0.0 2,-0.7 -0.611 41.6-139.8 -81.7 142.4 3.6 33.2 -4.0 44 43 A I E -G 38 0B 7 178,-0.6 177,-0.6 -2,-0.3 2,-0.4 -0.860 20.0-169.3-109.2 103.5 3.0 30.6 -1.3 45 44 A V E -G 37 0B 50 -8,-2.8 -8,-2.6 -2,-0.7 2,-0.2 -0.759 19.7-126.9-102.3 129.5 -0.7 30.2 -0.5 46 45 A F E +G 36 0B 53 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.523 29.0 175.0 -74.2 139.8 -2.0 28.2 2.5 47 46 A L E - 0 0 16 -12,-2.5 2,-0.3 1,-0.4 -11,-0.2 0.815 50.3 -28.6-111.3 -50.8 -4.6 25.6 1.7 48 47 A I E -G 35 0B 2 -13,-1.3 -13,-2.1 16,-0.0 -1,-0.4 -0.980 48.2-149.1-171.7 153.4 -5.6 23.4 4.6 49 48 A R E -G 34 0B 59 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.961 2.1-153.7-138.1 158.3 -4.4 21.9 7.9 50 49 A Q E -G 33 0B 3 -17,-2.5 -17,-2.2 -2,-0.3 2,-0.3 -0.977 9.4-148.3-136.9 123.1 -4.9 18.9 10.0 51 50 A D E > -G 32 0B 16 -2,-0.4 3,-0.5 -19,-0.2 -19,-0.2 -0.678 16.5-136.9 -85.3 140.7 -4.4 18.6 13.8 52 51 A S T 3 S+ 0 0 4 -21,-2.2 -1,-0.1 -2,-0.3 -20,-0.1 0.832 102.0 48.7 -71.3 -32.9 -3.3 15.2 15.0 53 52 A Y T 3 S+ 0 0 30 -22,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.553 89.2 97.4 -85.7 -11.3 -5.6 15.0 18.0 54 53 A K < - 0 0 79 -3,-0.5 2,-0.3 1,-0.1 4,-0.1 -0.702 67.8-150.8 -77.7 127.4 -8.6 16.0 15.9 55 54 A K + 0 0 189 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 -0.205 65.8 74.0 -98.1 43.0 -10.4 12.8 14.9 56 55 A E S S- 0 0 156 -2,-0.3 2,-0.3 0, 0.0 -2,-0.1 -0.963 85.2-104.7-152.4 136.0 -11.9 13.9 11.5 57 56 A N - 0 0 72 -2,-0.3 -7,-0.1 10,-0.1 -2,-0.1 -0.422 43.0-123.9 -56.2 116.7 -10.4 14.5 8.0 58 57 A A - 0 0 25 -2,-0.3 7,-2.8 -4,-0.1 2,-0.3 -0.223 33.7-177.8 -56.8 150.2 -10.2 18.3 7.5 59 58 A T E +D 64 0A 99 5,-0.2 2,-0.3 -10,-0.1 5,-0.2 -0.967 14.7 166.0-153.7 144.3 -12.0 19.7 4.4 60 59 A V E > -D 63 0A 80 3,-3.0 3,-1.8 -2,-0.3 2,-0.1 -0.875 64.9 -35.6-157.6 122.8 -12.4 23.2 2.8 61 60 A G T 3 S- 0 0 75 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.418 123.7 -28.0 62.8-134.7 -13.7 24.0 -0.6 62 61 A H T 3 S+ 0 0 55 -2,-0.1 17,-1.5 -3,-0.1 2,-0.4 0.469 121.7 97.5 -89.4 -2.3 -12.5 21.3 -3.1 63 62 A Y E < +DE 60 78A 30 -3,-1.8 -3,-3.0 15,-0.2 2,-0.3 -0.717 49.5 163.6 -82.6 132.7 -9.5 20.7 -0.9 64 63 A S E -DE 59 77A 28 13,-2.0 13,-3.3 -2,-0.4 2,-0.3 -0.989 26.8-132.5-150.6 146.5 -9.9 17.7 1.5 65 64 A L E - E 0 76A 3 -7,-2.8 2,-0.5 -2,-0.3 11,-0.2 -0.663 3.1-154.9 -99.3 151.0 -7.4 15.6 3.6 66 65 A N E - E 0 75A 54 9,-1.8 9,-1.6 -2,-0.3 2,-0.6 -0.896 25.4-168.7-118.9 97.0 -7.2 11.9 4.0 67 66 A F E + E 0 74A 26 -2,-0.5 2,-0.4 7,-0.2 7,-0.2 -0.776 13.4 177.0 -96.5 121.1 -5.5 11.7 7.4 68 67 A Q E > > - E 0 73A 59 5,-2.7 5,-1.4 -2,-0.6 3,-1.1 -0.630 5.8-176.2-129.8 77.0 -4.2 8.3 8.4 69 68 A K G > 5S+ 0 0 99 -2,-0.4 3,-2.2 1,-0.3 -1,-0.2 0.801 82.0 51.2 -34.2 -55.4 -2.4 8.4 11.7 70 69 A P G 3 5S+ 0 0 121 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.893 112.5 46.7 -63.5 -37.0 -1.3 4.8 11.9 71 70 A K G < 5S- 0 0 138 -3,-1.1 -2,-0.2 2,-0.1 3,-0.1 0.304 106.1-127.1 -84.8 7.7 0.3 5.0 8.4 72 71 A S T < 5 + 0 0 44 -3,-2.2 -48,-2.3 -4,-0.3 2,-0.3 0.869 67.2 137.2 47.0 42.2 2.0 8.4 9.2 73 72 A S E < +CE 23 68A 26 -5,-1.4 -5,-2.7 -50,-0.2 -50,-0.2 -0.893 38.5 177.5-128.3 148.2 0.2 9.6 6.1 74 73 A I E - E 0 67A 0 -52,-2.5 -7,-0.2 -2,-0.3 -51,-0.1 -0.572 13.5-172.1-151.9 82.0 -1.7 12.7 5.0 75 74 A G E - E 0 66A 5 -9,-1.6 -9,-1.8 -2,-0.1 2,-0.5 -0.322 17.3-136.9 -76.5 155.8 -2.9 12.9 1.4 76 75 A L E -BE 20 65A 0 -56,-1.9 -56,-2.3 -11,-0.2 2,-0.5 -0.973 18.0-160.8-113.6 122.2 -4.4 16.0 -0.2 77 76 A I E -BE 19 64A 37 -13,-3.3 -13,-2.0 -2,-0.5 2,-0.5 -0.896 7.8-170.2-103.9 126.1 -7.4 15.4 -2.3 78 77 A I E -BE 18 63A 0 -60,-2.7 -60,-1.8 -2,-0.5 2,-0.4 -0.979 12.2-158.8-108.7 124.5 -8.6 17.9 -4.9 79 78 A T S S+ 0 0 62 -17,-1.5 -62,-0.2 -2,-0.5 -63,-0.1 -0.850 71.2 13.4-103.5 140.5 -12.0 17.0 -6.3 80 79 A A S S- 0 0 62 -2,-0.4 -1,-0.3 -65,-0.3 2,-0.2 0.993 88.5-138.4 58.8 75.2 -13.0 18.4 -9.6 81 80 A T - 0 0 2 -65,-3.0 -66,-2.9 -3,-0.2 2,-0.2 -0.471 17.8-159.1 -70.0 131.1 -9.6 19.7 -10.8 82 81 A Q > - 0 0 99 -2,-0.2 3,-1.6 -68,-0.2 4,-0.0 -0.682 29.7-111.3-106.2 162.9 -9.7 23.2 -12.5 83 82 A I G > S+ 0 0 73 1,-0.3 3,-1.5 -2,-0.2 31,-0.3 0.908 118.9 55.9 -57.8 -43.6 -7.1 24.7 -14.8 84 83 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.493 88.2 80.0 -70.2 -1.6 -6.1 27.2 -12.2 85 84 A D G < + 0 0 0 -3,-1.6 2,-0.6 2,-0.0 -1,-0.3 0.431 67.1 114.6 -81.5 0.2 -5.4 24.3 -9.8 86 85 A S < + 0 0 46 -3,-1.5 -46,-0.3 28,-0.1 2,-0.3 -0.652 43.1 94.4 -82.2 118.0 -2.1 23.9 -11.6 87 86 A A E S- I 0 112B 8 25,-0.7 25,-2.9 -2,-0.6 2,-0.5 -0.929 78.6 -66.3-169.6-169.9 0.9 24.6 -9.3 88 87 A V E -HI 38 111B 25 -50,-2.1 -50,-2.8 -2,-0.3 2,-0.5 -0.914 46.9-147.9 -97.8 135.2 3.4 23.0 -7.0 89 88 A Y E -HI 37 110B 0 21,-3.3 21,-1.8 -2,-0.5 2,-0.4 -0.908 9.5-158.4-109.7 123.9 1.8 21.6 -3.9 90 89 A F E -H 36 0B 0 -54,-3.2 -54,-2.7 -2,-0.5 2,-0.5 -0.842 5.6-158.1-106.6 133.0 3.8 21.5 -0.6 91 90 A a E +H 35 0B 1 -2,-0.4 16,-2.3 -56,-0.2 2,-0.3 -0.915 23.7 176.5-103.5 132.4 3.1 19.3 2.3 92 91 A A E -HJ 34 106B 0 -58,-3.4 -58,-3.6 -2,-0.5 2,-0.3 -0.933 17.8-162.8-139.7 162.5 4.5 20.6 5.6 93 92 A M E -HJ 33 105B 2 12,-1.8 12,-2.4 -2,-0.3 2,-0.5 -1.000 36.1 -97.4-145.6 143.8 4.6 19.8 9.3 94 93 A R E - 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