==== 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 27-SEP-02 1MWA . COMPND 2 MOLECULE: 2C T CELL RECEPTOR ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.G.LUZ,M.D.HUANG,K.C.GARCIA,M.G.RUDOLPH,L.TEYTON,I.A.WILSON . 1640 10 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 76765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 958 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 500 30.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 0.9 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 . 2 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 . 153 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 2 0 2 0 0 1 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 1 0 1 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 0 PARALLEL BRIDGES PER LADDER . 16 21 16 10 7 8 5 6 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 4 6 6 4 3 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 A Q 0 0 51 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 100.6 85.7 20.4 32.6 2 2 A S E -A 25 0A 56 23,-2.2 23,-1.9 91,-0.1 2,-0.3 -0.966 360.0-175.2-132.4 157.4 83.5 19.7 35.6 3 3 A V E -A 24 0A 9 -2,-0.3 2,-0.3 21,-0.3 21,-0.3 -0.991 1.9-179.3-149.4 149.9 83.7 20.4 39.3 4 4 A T E -A 23 0A 73 19,-2.7 19,-2.5 -2,-0.3 98,-0.1 -0.997 22.2-145.5-152.1 152.6 81.7 19.5 42.4 5 5 A Q - 0 0 8 -2,-0.3 17,-0.1 17,-0.2 98,-0.1 -0.910 12.1-166.2-123.0 103.0 81.6 20.1 46.1 6 6 A P S S+ 0 0 69 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.633 72.5 68.4 -63.9 -22.4 80.4 17.0 48.0 7 7 A D - 0 0 59 14,-0.3 3,-0.1 1,-0.2 14,-0.1 -0.881 58.5-173.8-107.1 108.4 79.8 18.7 51.3 8 8 A A S S+ 0 0 69 -2,-0.7 98,-2.5 1,-0.2 2,-0.4 0.875 74.1 23.7 -65.9 -38.2 76.9 21.2 51.2 9 9 A R E -f 106 0B 150 96,-0.2 2,-0.4 78,-0.0 98,-0.2 -0.988 60.6-171.4-134.3 142.2 77.6 22.5 54.7 10 10 A V E -f 107 0B 29 96,-3.0 98,-3.0 -2,-0.4 2,-0.5 -0.979 4.1-172.7-134.9 120.7 80.6 22.6 57.0 11 11 A T E +f 108 0B 79 -2,-0.4 2,-0.3 96,-0.2 98,-0.2 -0.960 14.2 164.7-118.6 118.3 80.4 23.7 60.6 12 12 A V E -f 109 0B 26 96,-2.2 98,-2.9 -2,-0.5 2,-0.3 -0.826 35.3-105.9-126.2 166.0 83.6 24.1 62.6 13 13 A S E > -f 110 0B 52 -2,-0.3 3,-2.2 96,-0.3 67,-0.2 -0.721 44.3 -92.6 -96.2 143.4 84.6 25.7 65.9 14 14 A E T 3 S+ 0 0 28 96,-2.9 67,-0.2 -2,-0.3 -1,-0.1 -0.127 114.0 26.8 -48.8 144.1 86.5 29.0 66.1 15 15 A G T 3 S+ 0 0 47 65,-2.9 -1,-0.3 1,-0.3 66,-0.1 0.387 98.8 117.5 80.3 -6.1 90.2 28.4 66.4 16 16 A A < - 0 0 36 -3,-2.2 64,-2.0 64,-0.3 -1,-0.3 -0.315 68.8-106.6 -85.5 175.2 89.9 25.1 64.6 17 17 A S - 0 0 84 62,-0.2 2,-0.3 -3,-0.1 61,-0.2 -0.526 34.5-148.8 -95.4 168.3 91.5 24.2 61.2 18 18 A L E -B 77 0A 12 59,-2.0 59,-1.5 -2,-0.2 2,-0.4 -0.999 17.2-175.7-146.3 143.4 89.4 23.9 58.0 19 19 A Q E -B 76 0A 79 -2,-0.3 2,-0.6 57,-0.2 57,-0.2 -0.978 8.8-161.3-138.5 124.6 89.4 22.0 54.8 20 20 A L E -B 75 0A 3 55,-3.0 55,-2.6 -2,-0.4 2,-0.3 -0.922 19.7-137.5-108.7 121.9 87.0 22.5 51.9 21 21 A R + 0 0 111 -2,-0.6 2,-0.4 53,-0.2 -14,-0.3 -0.599 24.5 175.4 -81.4 134.7 86.7 19.6 49.5 22 22 A a - 0 0 0 -2,-0.3 51,-2.1 -17,-0.1 2,-0.4 -0.987 6.8-171.2-141.4 128.1 86.6 20.2 45.7 23 23 A K E -AC 4 72A 78 -19,-2.5 -19,-2.7 -2,-0.4 2,-0.4 -0.929 2.0-170.7-118.8 141.6 86.6 17.5 43.0 24 24 A Y E -A 3 0A 12 47,-2.0 2,-0.5 -2,-0.4 -21,-0.3 -0.970 12.2-149.8-129.9 146.1 87.0 18.1 39.2 25 25 A S E +A 2 0A 86 -23,-1.9 -23,-2.2 -2,-0.4 2,-0.2 -0.961 38.4 134.2-112.4 133.7 86.5 15.7 36.4 26 26 A Y - 0 0 36 -2,-0.5 -2,-0.1 -25,-0.2 45,-0.0 -0.735 55.2-133.0 177.4 137.9 88.6 16.4 33.3 27 27 A S S S+ 0 0 67 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.680 94.0 26.6 -72.7 -20.5 90.9 14.9 30.7 28 28 A A S S- 0 0 9 912,-0.1 913,-0.0 913,-0.0 912,-0.0 -0.454 105.2 -71.3-119.5-164.0 93.6 17.5 31.0 29 29 A T - 0 0 34 -2,-0.2 2,-0.1 65,-0.0 -2,-0.1 -0.877 55.9-160.0 -92.9 122.8 94.8 19.9 33.6 30 30 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 64,-0.2 -0.442 25.5 -97.6 -93.8 171.0 92.2 22.7 34.1 31 31 A Y E -G 93 0B 27 62,-3.8 62,-2.0 -2,-0.1 2,-0.4 -0.732 44.9-153.8 -83.2 144.7 92.4 26.1 35.5 32 32 A L E +GH 92 49B 0 17,-2.4 17,-2.6 -2,-0.4 2,-0.3 -0.958 15.4 178.6-126.6 144.3 91.2 26.0 39.1 33 33 A F E -GH 91 48B 0 58,-1.9 58,-2.3 -2,-0.4 2,-0.4 -0.967 17.0-158.0-142.0 153.5 89.7 28.8 41.3 34 34 A W E +GH 90 47B 0 13,-2.2 12,-3.1 -2,-0.3 13,-1.4 -0.996 18.3 179.4-133.2 127.7 88.2 29.4 44.9 35 35 A Y E -GH 89 45B 1 54,-2.6 54,-3.1 -2,-0.4 2,-0.4 -0.893 17.4-141.1-125.8 158.7 85.9 32.3 45.6 36 36 A V E -GH 88 44B 8 8,-2.4 8,-1.7 -2,-0.3 2,-0.5 -0.924 7.2-159.2-118.3 142.2 84.1 33.4 48.8 37 37 A Q E -GH 87 43B 20 50,-3.7 50,-2.4 -2,-0.4 6,-0.1 -0.947 9.2-159.1-124.6 114.3 80.6 34.8 48.9 38 38 A Y > - 0 0 75 4,-0.5 3,-1.7 -2,-0.5 48,-0.1 -0.480 46.0 -66.6 -83.8 160.8 79.6 36.8 52.0 39 39 A P T 3 S+ 0 0 109 0, 0.0 47,-0.0 0, 0.0 -2,-0.0 0.494 118.1 1.7 -11.6 -71.6 76.0 37.4 53.0 40 40 A R T 3 S+ 0 0 92 2,-0.0 2,-0.2 470,-0.0 -3,-0.0 -0.138 112.6 75.8-127.5 43.6 74.3 39.5 50.3 41 41 A Q S < S- 0 0 81 -3,-1.7 468,-0.1 1,-0.2 469,-0.1 -0.742 75.3 -82.9-139.6-176.2 76.9 40.1 47.6 42 42 A G - 0 0 1 -2,-0.2 -4,-0.5 1,-0.1 2,-0.2 0.019 57.3 -72.2 -79.2-169.2 78.8 38.6 44.7 43 43 A L E -H 37 0B 4 465,-0.2 464,-0.7 -6,-0.1 2,-0.4 -0.571 34.6-162.3 -93.3 153.4 82.0 36.5 44.7 44 44 A Q E -H 36 0B 106 -8,-1.7 -8,-2.4 -2,-0.2 2,-0.2 -0.988 26.8-111.4-132.0 139.2 85.5 37.4 45.5 45 45 A L E +H 35 0B 52 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.462 27.7 177.4 -73.7 140.9 88.6 35.4 44.5 46 46 A L E - 0 0 11 -12,-3.1 13,-1.6 1,-0.5 2,-0.3 0.717 69.1 -35.0-104.3 -42.3 90.7 33.7 47.2 47 47 A L E -H 34 0B 7 -13,-1.4 -13,-2.2 11,-0.2 -1,-0.5 -0.974 50.9-150.6-172.5 165.1 93.1 32.1 44.9 48 48 A K E -H 33 0B 50 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.911 7.3-148.0-140.4 164.6 93.6 30.4 41.5 49 49 A Y E +H 32 0B 20 -17,-2.6 -17,-2.4 -2,-0.3 3,-0.1 -0.994 22.6 161.8-136.4 128.3 95.9 27.8 39.9 50 50 A Y - 0 0 19 1,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.717 67.5 -47.7-110.0 -53.2 96.9 27.9 36.3 51 51 A S S S+ 0 0 29 2,-0.1 -1,-0.5 993,-0.1 2,-0.2 -0.948 95.7 49.7-168.7 176.0 99.9 25.6 36.3 52 52 A G S S+ 0 0 47 -2,-0.3 992,-0.0 -3,-0.1 988,-0.0 -0.538 90.8 37.3 87.6-149.3 103.2 24.9 38.2 53 53 A D - 0 0 19 -2,-0.2 -2,-0.1 1,-0.2 13,-0.1 -0.135 67.4-145.3 -42.8 123.1 103.5 24.5 42.0 54 54 A P S S+ 0 0 28 0, 0.0 12,-2.8 0, 0.0 2,-0.7 0.625 82.0 76.2 -70.1 -16.4 100.4 22.6 43.2 55 55 A V E -D 65 0A 14 10,-0.2 2,-0.5 1358,-0.1 10,-0.2 -0.864 63.8-179.8 -99.6 111.7 100.3 24.5 46.5 56 56 A V E -D 64 0A 21 8,-2.3 8,-2.4 -2,-0.7 2,-0.4 -0.934 16.7-147.1-116.2 136.0 99.0 28.0 46.1 57 57 A Q E +D 63 0A 86 -2,-0.5 6,-0.3 6,-0.2 -9,-0.1 -0.828 23.8 178.6 -99.3 132.9 98.6 30.5 48.9 58 58 A G - 0 0 27 4,-3.6 3,-0.5 -2,-0.4 -11,-0.2 -0.301 35.1 -43.8-117.0-158.8 95.7 33.0 48.8 59 59 A V S > S+ 0 0 82 -13,-1.6 3,-1.4 1,-0.2 -1,-0.2 -0.383 110.5 6.6 -74.1 148.0 94.1 35.8 50.7 60 60 A N T 3 S- 0 0 112 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.855 132.1 -48.3 48.8 55.4 93.6 35.6 54.5 61 61 A G T 3 S+ 0 0 49 -3,-0.5 17,-0.4 1,-0.2 -1,-0.3 0.525 102.2 138.1 71.7 5.2 95.4 32.4 55.4 62 62 A F < + 0 0 7 -3,-1.4 -4,-3.6 15,-0.1 2,-0.3 -0.590 21.2 159.5 -86.5 146.4 93.7 30.5 52.6 63 63 A E E -DE 57 76A 44 13,-1.7 13,-2.7 -6,-0.3 2,-0.3 -0.975 18.1-161.1-162.9 150.0 95.5 28.0 50.5 64 64 A A E -DE 56 75A 3 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.4 -0.847 9.2-145.6-130.5 165.9 94.8 25.1 48.2 65 65 A E E -DE 55 74A 90 9,-1.2 9,-0.7 -2,-0.3 2,-0.4 -0.956 13.3-142.6-137.6 118.6 96.6 22.2 46.7 66 66 A F E - E 0 73A 17 -12,-2.8 2,-0.5 -2,-0.4 7,-0.2 -0.648 16.3-170.0 -78.2 128.5 96.0 20.8 43.3 67 67 A S E >> - E 0 72A 22 5,-2.7 5,-1.9 -2,-0.4 4,-1.2 -0.926 13.0-174.6-124.1 104.2 96.2 17.1 43.1 68 68 A K T 45S+ 0 0 114 -2,-0.5 -1,-0.2 3,-0.2 3,-0.0 0.924 88.5 53.8 -60.1 -46.4 96.2 15.6 39.6 69 69 A S T 45S+ 0 0 110 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.974 118.7 31.5 -48.3 -75.5 96.2 12.1 41.2 70 70 A N T 45S- 0 0 103 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.551 102.8-132.1 -63.1 -10.5 93.1 12.7 43.4 71 71 A S T <5 + 0 0 34 -4,-1.2 -47,-2.0 1,-0.2 2,-0.3 0.946 63.8 130.4 57.3 46.1 91.7 15.1 40.8 72 72 A S E < -CE 23 67A 4 -5,-1.9 -5,-2.7 -49,-0.2 -49,-0.2 -0.865 50.4-168.2-131.9 165.3 91.1 17.5 43.7 73 73 A F E - E 0 66A 0 -51,-2.1 -7,-0.2 -2,-0.3 -50,-0.1 -0.451 25.1-175.7-151.4 64.5 91.7 21.1 44.7 74 74 A H E - E 0 65A 31 -9,-0.7 -9,-1.2 -52,-0.1 2,-0.3 -0.374 16.9-136.0 -71.2 140.5 90.9 21.3 48.5 75 75 A L E -BE 20 64A 3 -55,-2.6 -55,-3.0 -11,-0.2 2,-0.3 -0.776 24.8-173.4 -98.1 144.8 90.9 24.7 50.3 76 76 A R E +BE 19 63A 121 -13,-2.7 -13,-1.7 -2,-0.3 2,-0.3 -0.965 22.3 178.7-140.9 155.5 92.6 25.1 53.7 77 77 A K E -B 18 0A 15 -59,-1.5 -59,-2.0 -2,-0.3 3,-0.3 -0.922 22.6-146.5-152.4 125.1 93.1 27.5 56.5 78 78 A A S S+ 0 0 88 -17,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.932 88.6 17.3 -59.6 -48.2 95.0 26.6 59.6 79 79 A S S S- 0 0 50 -62,-0.1 -1,-0.3 -18,-0.1 2,-0.2 -0.910 70.6-175.3-138.3 109.6 92.9 28.7 62.0 80 80 A V - 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