==== 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 RECEPTOR 23-JAN-06 2CDG . COMPND 2 MOLECULE: TCR 5E; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.D.GADOLA,M.KOCH,J.MARLES-WRIGHT,N.M.LISSIN,D.SHEPERD,G.MAT . 428 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 36.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 47 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 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 RESIDUES PER ALPHA HELIX . 1 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 . 4 5 6 3 2 5 3 1 1 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 . 1 1 3 2 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 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 10 A Q 0 0 146 0, 0.0 97,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -17.0 -26.2 23.9 89.7 2 11 A A - 0 0 67 97,-0.1 2,-0.4 1,-0.1 99,-0.2 -0.164 360.0-144.8 -58.9 158.1 -26.6 25.2 86.1 3 12 A L E -a 101 0A 58 97,-2.8 99,-2.6 2,-0.0 2,-0.5 -0.904 17.7-176.1-144.0 107.6 -23.5 25.2 83.9 4 13 A S E +a 102 0A 80 -2,-0.4 2,-0.3 97,-0.2 99,-0.2 -0.897 19.6 161.8-103.4 123.8 -22.4 27.7 81.2 5 14 A I E -a 103 0A 20 97,-2.5 99,-2.8 -2,-0.5 2,-0.3 -0.926 40.2-101.9-134.6 165.6 -19.2 26.9 79.3 6 15 A Q E > -a 104 0A 24 -2,-0.3 3,-2.3 97,-0.2 65,-0.3 -0.696 49.5 -98.5 -84.0 136.2 -17.4 27.9 76.0 7 16 A E T 3 S+ 0 0 56 97,-4.3 65,-0.2 -2,-0.3 3,-0.1 -0.255 112.3 34.3 -60.9 138.8 -17.7 25.4 73.1 8 17 A G T 3 S+ 0 0 49 63,-0.8 62,-0.4 1,-0.5 -1,-0.3 0.177 98.7 106.9 94.1 -15.0 -14.6 23.2 72.9 9 18 A E S < S- 0 0 102 -3,-2.3 62,-1.9 61,-0.1 -1,-0.5 -0.352 72.8-104.9 -82.8 174.0 -14.3 23.2 76.7 10 19 A N - 0 0 88 60,-0.2 2,-0.4 59,-0.1 59,-0.2 -0.636 23.4-150.8-104.0 161.2 -15.1 20.2 78.9 11 20 A A E -E 68 0B 3 57,-2.1 57,-2.3 -2,-0.2 2,-0.7 -0.967 5.3-165.0-140.8 123.4 -18.1 19.4 81.2 12 21 A T E -E 67 0B 75 -2,-0.4 2,-0.5 55,-0.2 55,-0.2 -0.893 8.4-172.9-109.6 105.1 -18.4 17.3 84.3 13 22 A M E -E 66 0B 2 53,-2.7 53,-3.0 -2,-0.7 2,-0.2 -0.867 10.2-163.6 -94.7 126.2 -22.0 16.4 85.4 14 23 A N E -E 65 0B 112 -2,-0.5 2,-0.3 51,-0.2 51,-0.2 -0.687 8.1-176.9-107.2 163.4 -22.2 14.6 88.7 15 24 A a E -E 64 0B 21 49,-1.9 49,-2.7 -2,-0.2 2,-0.3 -0.979 10.2-157.9-161.6 144.7 -25.0 12.6 90.3 16 25 A S E -E 63 0B 100 -2,-0.3 2,-0.3 47,-0.2 47,-0.2 -0.971 10.0-169.4-130.9 144.3 -25.9 10.8 93.6 17 26 A Y - 0 0 23 45,-2.3 3,-0.1 -2,-0.3 -2,-0.0 -0.933 15.5-147.1-135.0 155.4 -28.3 8.0 94.4 18 27 A K S S+ 0 0 186 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.920 77.2 42.5 -83.5 -89.2 -29.8 6.3 97.4 19 28 A T S S- 0 0 100 1,-0.1 -1,-0.2 64,-0.0 43,-0.0 -0.485 92.9-106.3 -74.4 125.5 -30.7 2.6 97.1 20 29 A S - 0 0 69 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 0.040 40.6-167.1 -54.8 154.4 -28.0 0.6 95.2 21 30 A I - 0 0 20 64,-0.1 64,-0.2 22,-0.0 3,-0.1 -0.394 32.6-130.5-129.2-167.0 -28.6 -0.6 91.7 22 31 A N S S+ 0 0 38 62,-1.6 21,-1.4 1,-0.4 2,-0.2 0.259 92.6 25.4-133.8 3.6 -27.3 -2.9 88.9 23 32 A N E -B 42 0A 19 61,-0.5 61,-2.1 19,-0.3 2,-0.4 -0.864 61.1-160.1-175.8 124.4 -27.3 -0.3 86.1 24 33 A L E -BC 41 83A 0 17,-2.4 17,-2.6 -2,-0.2 2,-0.3 -0.957 12.5-169.9-121.3 139.8 -27.0 3.4 85.8 25 34 A Q E -BC 40 82A 0 57,-2.4 57,-2.5 -2,-0.4 2,-0.4 -0.927 12.8-149.8-126.8 149.5 -28.0 5.6 82.8 26 35 A W E -BC 39 81A 2 13,-1.8 12,-2.4 -2,-0.3 13,-1.0 -0.962 19.1-180.0-114.8 138.9 -27.6 9.2 81.7 27 36 A Y E -BC 37 80A 0 53,-2.8 53,-1.7 -2,-0.4 2,-0.4 -0.823 17.8-140.7-123.8 165.6 -30.1 11.1 79.5 28 37 A R E -BC 36 79A 49 8,-1.8 8,-2.4 -2,-0.3 2,-0.5 -0.993 10.4-144.9-124.7 141.4 -30.5 14.5 78.0 29 38 A Q E -BC 35 78A 11 49,-3.2 49,-1.6 -2,-0.4 2,-0.5 -0.914 14.6-144.1-103.9 127.7 -33.6 16.5 77.8 30 39 A N S > S- 0 0 54 4,-2.7 3,-2.0 -2,-0.5 4,-0.3 -0.776 71.8 -23.9 -95.1 124.9 -34.1 18.7 74.7 31 40 A S T 3 S- 0 0 101 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.868 118.4 -60.6 45.0 51.3 -35.8 22.1 75.0 32 41 A G T 3 S+ 0 0 26 -3,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.751 128.5 72.0 49.4 30.7 -37.7 21.0 78.2 33 42 A R S < S+ 0 0 47 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.214 79.2 33.6-132.5-107.1 -39.4 18.2 76.3 34 43 A G - 0 0 13 -4,-0.3 -4,-2.7 258,-0.1 -1,-0.3 -0.369 61.1-143.9 -70.2 136.2 -38.2 14.9 74.9 35 44 A L E -B 29 0A 5 256,-0.4 255,-0.5 -6,-0.2 2,-0.4 -0.781 10.9-160.9 -94.7 143.5 -35.5 12.8 76.6 36 45 A V E -B 28 0A 75 -8,-2.4 -8,-1.8 -2,-0.3 2,-0.2 -0.989 22.3-116.2-127.5 133.8 -32.9 10.8 74.7 37 46 A H E +B 27 0A 49 -2,-0.4 -10,-0.2 251,-0.4 3,-0.1 -0.428 33.5 174.3 -68.8 135.1 -30.7 8.0 76.0 38 47 A L E - 0 0 36 -12,-2.4 2,-0.3 1,-0.4 -11,-0.2 0.861 52.3 -17.6-108.9 -60.1 -27.0 8.7 76.1 39 48 A I E -B 26 0A 8 -13,-1.0 -13,-1.8 15,-0.0 -1,-0.4 -0.970 48.7-146.4-153.9 161.6 -24.9 6.0 77.8 40 49 A L E -B 25 0A 29 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.999 7.7-166.9-140.5 133.8 -25.3 3.0 80.1 41 50 A I E -B 24 0A 0 -17,-2.6 -17,-2.4 -2,-0.4 4,-0.1 -0.980 16.7-136.1-131.1 121.5 -22.9 1.6 82.8 42 51 A R E > -B 23 0A 108 -2,-0.4 3,-0.9 -19,-0.2 -19,-0.3 -0.152 26.7-109.7 -70.4 166.9 -23.2 -1.8 84.5 43 52 A S T 3 S+ 0 0 57 -21,-1.4 16,-0.2 1,-0.3 -20,-0.1 0.707 119.7 52.9 -70.2 -22.1 -22.8 -2.4 88.2 44 53 A N T 3 S+ 0 0 108 -22,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.332 96.7 90.9-106.3 48.7 -19.5 -4.3 87.4 45 54 A E < - 0 0 28 -3,-0.9 3,-0.1 1,-0.1 12,-0.1 -0.999 47.2-173.5-141.8 141.8 -18.0 -1.4 85.4 46 55 A R S S+ 0 0 164 -2,-0.3 11,-1.2 1,-0.3 2,-0.3 0.828 73.6 9.5 -96.4 -43.6 -15.8 1.5 86.2 47 56 A E E -F 56 0B 91 9,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.978 54.9-179.2-143.7 152.9 -15.7 3.5 82.9 48 57 A K E -F 55 0B 74 7,-1.2 7,-2.0 -2,-0.3 2,-0.3 -0.990 10.1-153.7-148.6 147.1 -17.4 3.6 79.5 49 58 A H E +F 54 0B 100 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.929 17.2 175.4-122.2 152.5 -17.0 5.7 76.3 50 59 A S E > S-F 53 0B 64 3,-1.6 3,-1.1 -2,-0.3 2,-0.6 -0.586 72.5 -75.8-147.9 70.6 -19.4 6.6 73.4 51 60 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.0 0, 0.0 -0.602 121.8 4.9 66.6-112.7 -17.3 9.0 71.4 52 61 A R T 3 S+ 0 0 87 -2,-0.6 17,-1.3 -3,-0.1 2,-0.5 0.538 114.0 93.0 -80.8 -8.4 -17.3 12.3 73.4 53 62 A L E < -FG 50 68B 22 -3,-1.1 -3,-1.6 15,-0.2 2,-0.5 -0.787 50.6-179.9 -92.9 122.9 -19.3 10.8 76.4 54 63 A R E -FG 49 67B 97 13,-2.1 13,-3.1 -2,-0.5 2,-0.4 -0.956 6.5-168.9-128.0 113.3 -17.2 9.5 79.3 55 64 A V E -FG 48 66B 0 -7,-2.0 -7,-1.2 -2,-0.5 2,-0.3 -0.843 6.3-171.3-112.5 133.9 -19.0 8.0 82.3 56 65 A T E +FG 47 65B 54 9,-2.8 9,-1.8 -2,-0.4 2,-0.3 -0.877 6.7 179.4-115.5 153.7 -17.7 7.0 85.7 57 66 A L E - G 0 64B 11 -11,-1.2 2,-0.4 -2,-0.3 7,-0.2 -0.981 10.3-174.1-150.5 139.2 -19.5 5.1 88.5 58 67 A D E >> - G 0 63B 49 5,-1.8 5,-1.2 -2,-0.3 4,-1.2 -0.985 16.7-165.0-133.8 131.6 -18.7 3.8 92.0 59 68 A T T 45S+ 0 0 73 -2,-0.4 -39,-0.1 1,-0.2 -1,-0.1 0.375 88.5 76.1 -84.4 3.0 -21.0 1.7 94.2 60 69 A S T 45S+ 0 0 112 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.831 116.1 11.5 -80.0 -36.2 -18.6 2.7 97.0 61 70 A K T 45S- 0 0 159 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.475 100.4-121.3-117.8 -9.7 -20.0 6.2 97.3 62 71 A K T <5S+ 0 0 84 -4,-1.2 -45,-2.3 1,-0.2 2,-0.3 0.905 70.2 123.0 63.4 47.3 -23.2 5.8 95.2 63 72 A S E < -EG 16 58B 39 -5,-1.2 -5,-1.8 -47,-0.2 2,-0.3 -0.957 41.3-163.3-136.5 154.9 -22.2 8.6 92.8 64 73 A S E -EG 15 57B 4 -49,-2.7 -49,-1.9 -2,-0.3 2,-0.3 -0.922 2.4-158.6-135.1 160.6 -21.6 9.0 89.0 65 74 A S E -EG 14 56B 19 -9,-1.8 -9,-2.8 -2,-0.3 2,-0.5 -0.998 3.0-159.1-140.0 138.1 -20.0 11.5 86.7 66 75 A L E -EG 13 55B 0 -53,-3.0 -53,-2.7 -2,-0.3 2,-0.5 -0.989 10.1-161.6-116.7 126.4 -20.4 12.2 83.0 67 76 A L E -EG 12 54B 42 -13,-3.1 -13,-2.1 -2,-0.5 2,-0.5 -0.929 3.0-164.1-106.5 121.9 -17.6 14.0 81.1 68 77 A I E -EG 11 53B 0 -57,-2.3 -57,-2.1 -2,-0.5 2,-0.4 -0.910 14.1-156.7 -96.6 130.4 -18.3 15.7 77.7 69 78 A T + 0 0 51 -17,-1.3 -59,-0.1 -2,-0.5 -60,-0.1 -0.880 65.7 4.8-110.8 142.5 -15.1 16.5 75.8 70 79 A A S S- 0 0 56 -62,-0.4 -1,-0.2 -2,-0.4 -60,-0.2 0.976 91.5-140.5 49.0 74.6 -14.6 19.1 73.1 71 80 A S - 0 0 1 -62,-1.9 -63,-0.8 -65,-0.3 2,-0.3 -0.194 18.4-159.7 -73.2 152.3 -18.1 20.6 73.5 72 81 A R > - 0 0 152 -65,-0.2 3,-1.8 -64,-0.1 4,-0.4 -0.865 35.3-109.9-123.5 157.9 -20.5 21.9 70.8 73 82 A A G > S+ 0 0 46 -2,-0.3 3,-1.7 1,-0.3 30,-0.3 0.876 118.6 64.7 -49.8 -39.8 -23.5 24.2 70.7 74 83 A A G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.703 88.1 68.5 -58.6 -21.9 -25.5 21.0 70.1 75 84 A D G < S+ 0 0 14 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.730 70.4 117.4 -70.1 -22.3 -24.5 19.7 73.5 76 85 A T < + 0 0 54 -3,-1.7 2,-0.3 -4,-0.4 26,-0.2 -0.277 46.1 99.1 -46.5 118.7 -26.7 22.5 75.1 77 86 A A E S- D 0 101A 12 24,-1.8 24,-3.5 22,-0.1 2,-0.5 -0.958 75.3 -80.5 179.8-172.4 -29.4 20.6 77.1 78 87 A S E -CD 29 100A 17 -49,-1.6 -49,-3.2 -2,-0.3 2,-0.5 -0.967 40.6-142.8-118.0 129.0 -30.4 19.4 80.5 79 88 A Y E -CD 28 99A 4 20,-2.1 20,-1.4 -2,-0.5 2,-0.4 -0.801 12.3-164.3-106.6 123.5 -28.8 16.2 81.8 80 89 A F E -C 27 0A 2 -53,-1.7 -53,-2.8 -2,-0.5 2,-0.3 -0.853 10.9-145.0-107.9 137.8 -30.6 13.6 83.9 81 90 A a E -C 26 0A 9 -2,-0.4 15,-3.0 -55,-0.2 -55,-0.2 -0.775 19.5-169.2 -94.9 142.7 -29.1 10.8 85.9 82 91 A A E -C 25 0A 0 -57,-2.5 -57,-2.4 -2,-0.3 13,-0.2 -0.826 8.4-160.8-147.7 98.2 -31.2 7.6 86.0 83 92 A P E -C 24 0A 20 0, 0.0 11,-1.9 0, 0.0 2,-0.4 -0.479 7.1-156.6 -74.7 149.1 -30.7 4.5 88.3 84 93 A F E +H 93 0C 12 -61,-2.1 -62,-1.6 9,-0.2 -61,-0.5 -0.931 21.8 158.4-132.8 104.8 -32.1 1.1 87.4 85 94 A D E +H 92 0C 38 7,-1.1 7,-0.7 -2,-0.4 2,-0.3 -0.978 8.5 160.2-127.4 146.4 -32.8 -1.5 90.1 86 95 A R - 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