==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN/IMMUNE SYSTEM 04-FEB-08 3C6L . COMPND 2 MOLECULE: TCR 2W20 ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.DAI . 1580 13 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 990 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 499 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 180 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.5 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 4 0 4 1 0 2 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 20 25 15 17 5 11 7 4 0 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 . 2 5 13 6 0 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 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 0 141 0, 0.0 2,-0.3 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 29.1 5.5 -11.6 10.0 2 2 A Q - 0 0 93 95,-0.1 23,-0.4 21,-0.0 2,-0.2 -0.985 360.0-125.2-153.6 143.7 5.0 -13.6 6.8 3 3 A V - 0 0 8 95,-0.5 2,-0.5 -2,-0.3 21,-0.2 -0.536 16.9-139.6 -91.2 156.7 2.6 -16.4 5.8 4 4 A R E -A 23 0A 104 19,-1.8 19,-1.2 -2,-0.2 2,-0.7 -0.941 13.9-174.6-122.0 113.9 3.6 -19.9 4.4 5 5 A Q E -A 22 0A 2 -2,-0.5 17,-0.2 17,-0.2 95,-0.2 -0.922 8.7-175.7-108.7 115.4 1.7 -21.6 1.6 6 6 A S + 0 0 90 15,-1.6 2,-1.0 -2,-0.7 -1,-0.2 0.986 57.7 77.8 -76.3 -66.6 3.1 -25.1 1.1 7 7 A P - 0 0 22 0, 0.0 96,-0.2 0, 0.0 3,-0.1 -0.261 57.6-173.1 -51.1 93.3 1.5 -26.9 -1.9 8 8 A Q S S- 0 0 96 -2,-1.0 95,-1.5 1,-0.2 2,-0.3 0.931 74.1 -2.9 -55.9 -46.1 3.5 -25.1 -4.6 9 9 A S E S-d 103 0B 79 93,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.979 75.0-166.8-144.8 146.8 1.4 -26.8 -7.2 10 10 A L E -d 104 0B 45 93,-2.0 95,-1.2 -2,-0.3 2,-0.3 -0.976 6.5-169.4-139.9 152.5 -1.4 -29.4 -6.8 11 11 A T E +d 105 0B 86 -2,-0.3 2,-0.3 93,-0.2 95,-0.2 -0.962 14.6 157.5-147.4 126.7 -3.3 -31.8 -9.0 12 12 A V E -d 106 0B 15 93,-1.2 95,-0.9 -2,-0.3 3,-0.1 -0.992 37.6-104.4-147.1 152.6 -6.4 -33.9 -8.2 13 13 A W E > -d 107 0B 86 -2,-0.3 3,-1.7 93,-0.2 66,-0.3 -0.338 53.1 -76.1 -78.0 157.6 -9.2 -35.6 -10.1 14 14 A E T 3 S+ 0 0 54 93,-1.2 2,-0.6 1,-0.2 66,-0.2 0.106 115.5 20.4 -42.7 160.5 -12.8 -34.3 -10.3 15 15 A G T 3 S+ 0 0 39 64,-0.7 63,-1.0 1,-0.2 -1,-0.2 0.227 99.4 119.4 60.7 -17.6 -15.0 -34.8 -7.3 16 16 A E < - 0 0 90 -3,-1.7 63,-2.0 -2,-0.6 2,-0.6 -0.185 69.5-106.3 -73.9 168.5 -12.0 -35.2 -5.1 17 17 A T - 0 0 84 60,-0.2 2,-0.4 61,-0.2 60,-0.2 -0.874 27.1-155.8-104.8 122.9 -11.0 -33.0 -2.1 18 18 A A E - B 0 76A 0 58,-1.8 58,-2.3 -2,-0.6 2,-0.5 -0.786 5.6-160.9 -96.4 137.3 -8.1 -30.6 -2.5 19 19 A I E - B 0 75A 80 -2,-0.4 2,-0.5 56,-0.2 56,-0.2 -0.972 7.4-174.5-124.1 120.4 -6.3 -29.4 0.6 20 20 A L E - B 0 74A 0 54,-2.7 54,-3.3 -2,-0.5 2,-0.3 -0.966 15.0-154.7-115.0 117.8 -4.2 -26.2 0.6 21 21 A N E - B 0 73A 74 -2,-0.5 -15,-1.6 52,-0.3 2,-0.3 -0.724 13.1-179.4 -98.5 144.3 -2.2 -25.6 3.9 22 22 A a E -AB 5 72A 4 50,-2.5 50,-2.4 -2,-0.3 2,-0.3 -0.961 4.5-173.2-136.6 150.3 -0.9 -22.3 5.3 23 23 A S E -AB 4 71A 36 -19,-1.2 -19,-1.8 -2,-0.3 2,-0.2 -0.978 4.5-177.0-150.8 132.5 1.0 -21.3 8.5 24 24 A Y - 0 0 11 46,-1.3 -21,-0.2 -2,-0.3 -2,-0.0 -0.767 17.4-156.1-123.5 170.4 1.9 -17.9 9.9 25 25 A E + 0 0 119 -23,-0.4 -1,-0.1 -2,-0.2 -22,-0.1 0.753 61.2 89.8-117.6 -40.4 3.9 -16.6 12.9 26 26 A D - 0 0 29 -24,-0.1 3,-0.2 1,-0.1 2,-0.1 -0.195 61.1-146.1 -61.6 153.9 2.8 -13.2 14.0 27 27 A S S S+ 0 0 59 1,-0.1 -1,-0.1 574,-0.0 573,-0.1 -0.432 81.5 72.2-122.5 55.6 0.0 -12.9 16.5 28 28 A T + 0 0 3 -2,-0.1 2,-0.6 3,-0.0 -1,-0.1 0.208 63.5 118.8-142.0 -0.6 -2.0 -9.8 15.6 29 29 A F + 0 0 11 -3,-0.2 64,-0.2 1,-0.2 3,-0.1 -0.625 26.3 162.3 -75.8 116.9 -3.5 -11.3 12.6 30 30 A D + 0 0 10 62,-1.8 2,-0.3 -2,-0.6 -1,-0.2 0.090 61.3 59.1-120.2 17.6 -7.2 -11.3 13.2 31 31 A Y B +H 92 0C 8 61,-0.9 61,-2.3 19,-0.1 19,-0.2 -0.812 54.0 179.8-154.2 110.0 -8.2 -11.8 9.5 32 32 A F E +E 49 0B 0 17,-2.8 17,-0.8 -2,-0.3 59,-0.2 -0.817 17.0 172.2-114.2 93.9 -7.3 -14.7 7.3 33 33 A P E -E 48 0B 0 0, 0.0 57,-2.8 0, 0.0 2,-0.4 -0.492 22.9-138.3 -98.2 167.9 -8.7 -14.4 3.8 34 34 A W E -EF 47 89B 0 13,-1.5 12,-3.2 55,-0.2 13,-0.7 -0.995 12.6-160.9-128.8 128.1 -8.1 -16.5 0.7 35 35 A Y E -EF 45 88B 0 53,-3.4 53,-3.3 -2,-0.4 2,-0.5 -0.885 0.5-161.0-112.8 134.3 -7.7 -15.1 -2.8 36 36 A H E -EF 44 87B 30 8,-2.2 8,-1.7 -2,-0.4 2,-0.5 -0.943 3.6-167.3-113.7 132.7 -8.2 -17.0 -6.1 37 37 A Q E - F 0 86B 16 49,-2.8 49,-1.7 -2,-0.5 5,-0.1 -0.929 14.7-140.9-121.3 113.1 -6.7 -15.8 -9.3 38 38 A F > - 0 0 81 -2,-0.5 3,-0.7 4,-0.5 47,-0.2 -0.392 30.7-108.4 -69.7 147.5 -7.9 -17.3 -12.6 39 39 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 0.507 114.6 61.5 -53.7 1.5 -5.2 -17.9 -15.2 40 40 A G T 3 S- 0 0 67 2,-0.1 2,-0.1 1,-0.0 -3,-0.0 0.899 111.8 -36.1 -95.1 -49.5 -6.8 -15.0 -17.1 41 41 A E S < S+ 0 0 98 -3,-0.7 249,-0.1 1,-0.2 247,-0.0 -0.397 87.2 2.5-144.3-140.6 -6.7 -11.9 -14.9 42 42 A S - 0 0 28 247,-0.1 -4,-0.5 -2,-0.1 -1,-0.2 -0.202 63.1-107.6 -64.7 149.8 -6.8 -10.2 -11.5 43 43 A P - 0 0 4 0, 0.0 244,-0.5 0, 0.0 2,-0.3 -0.319 34.8-168.3 -76.0 155.8 -7.1 -12.0 -8.1 44 44 A A E -E 36 0B 38 -8,-1.7 -8,-2.2 242,-0.1 2,-0.3 -0.942 27.2 -93.3-143.1 165.6 -10.2 -11.9 -6.0 45 45 A L E +E 35 0B 51 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.1 -0.613 37.1 168.6 -83.1 137.8 -11.4 -12.8 -2.6 46 46 A L E - 0 0 25 -12,-3.2 2,-0.3 1,-0.3 -11,-0.2 0.784 62.2 -16.8-110.0 -66.3 -13.0 -16.3 -2.1 47 47 A I E -E 34 0B 5 -13,-0.7 -13,-1.5 15,-0.0 -1,-0.3 -0.992 58.1-173.4-145.7 144.7 -13.4 -17.0 1.7 48 48 A A E -E 33 0B 17 -2,-0.3 2,-0.3 -15,-0.3 15,-0.1 -0.813 5.0-159.4-131.3 171.9 -12.0 -15.5 4.8 49 49 A I E -E 32 0B 9 -17,-0.8 -17,-2.8 -2,-0.3 6,-0.1 -0.989 7.0-151.5-154.7 153.2 -12.1 -16.3 8.5 50 50 A R - 0 0 51 -2,-0.3 -19,-0.1 -19,-0.2 15,-0.1 -0.878 57.3 -54.7-123.2 153.8 -11.6 -14.6 11.9 51 51 A P S S+ 0 0 30 0, 0.0 633,-0.1 0, 0.0 -1,-0.0 -0.019 106.4 73.9 -36.4 106.7 -10.5 -16.4 15.2 52 52 A V S S- 0 0 121 13,-0.0 -2,-0.2 -3,-0.0 14,-0.1 0.224 88.3-103.7 141.7 85.6 -12.8 -19.3 15.9 53 53 A S S S+ 0 0 67 12,-0.3 11,-0.1 -4,-0.1 13,-0.1 0.390 75.3 46.6 -25.8 148.0 -12.3 -22.5 13.7 54 54 A N - 0 0 105 9,-0.7 2,-0.3 1,-0.1 10,-0.2 0.381 49.8-159.5 89.0 140.7 -14.6 -23.6 10.8 55 55 A K - 0 0 61 1,-0.1 8,-0.5 -6,-0.1 -1,-0.1 -0.967 9.9-175.1-152.0 135.3 -16.1 -21.8 7.8 56 56 A K + 0 0 159 -2,-0.3 4,-0.5 6,-0.2 5,-0.4 0.927 32.3 136.5 -93.6 -59.3 -19.1 -22.7 5.6 57 57 A E S > S+ 0 0 88 2,-0.1 4,-0.7 1,-0.1 3,-0.5 0.658 76.3 8.5 6.0 135.3 -19.3 -20.1 2.8 58 58 A D T >4 S- 0 0 92 1,-0.2 3,-2.3 2,-0.1 2,-0.3 0.944 98.2-116.1 39.7 70.6 -20.0 -21.4 -0.7 59 59 A G T 34 S+ 0 0 74 1,-0.3 -1,-0.2 17,-0.1 -2,-0.1 -0.099 106.7 61.1 -39.4 93.4 -20.6 -25.0 0.5 60 60 A R T 34 S+ 0 0 80 1,-0.5 17,-3.0 -4,-0.5 2,-0.4 -0.107 96.7 67.7 170.6 -29.5 -17.7 -26.6 -1.3 61 61 A F E << +C 76 0A 11 -3,-2.3 -1,-0.5 -4,-0.7 2,-0.3 -0.864 58.2 175.3-111.9 146.8 -15.1 -24.6 0.5 62 62 A T E -C 75 0A 43 13,-1.7 13,-2.7 -2,-0.4 2,-0.5 -0.990 18.0-146.9-150.2 137.2 -14.2 -24.9 4.1 63 63 A I E -C 74 0A 0 -8,-0.5 -9,-0.7 -2,-0.3 2,-0.7 -0.937 4.8-159.1-114.4 124.1 -11.5 -23.2 6.2 64 64 A F E -C 73 0A 104 9,-2.0 9,-1.7 -2,-0.5 2,-0.5 -0.877 13.8-170.9-100.8 108.0 -9.9 -25.0 9.2 65 65 A F E -C 72 0A 9 -2,-0.7 2,-0.5 7,-0.2 -12,-0.3 -0.881 9.3-175.4-105.6 128.9 -8.3 -22.5 11.5 66 66 A N E >>> +C 71 0A 68 5,-2.5 5,-1.8 -2,-0.5 4,-1.5 -0.801 6.7 176.0-125.9 88.3 -6.2 -23.7 14.4 67 67 A K T 345S+ 0 0 115 -2,-0.5 3,-0.4 1,-0.2 -1,-0.2 0.908 80.4 59.2 -58.0 -46.2 -5.1 -20.8 16.5 68 68 A R T 345S+ 0 0 239 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.800 120.2 29.3 -54.4 -30.3 -3.3 -23.0 19.1 69 69 A E T <45S- 0 0 119 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.518 102.2-130.6-107.4 -8.3 -1.1 -24.3 16.3 70 70 A K T <5 + 0 0 80 -4,-1.5 -46,-1.3 -3,-0.4 2,-0.3 0.905 68.3 123.0 55.8 43.7 -1.2 -21.1 14.1 71 71 A K E < +BC 23 66A 111 -5,-1.8 -5,-2.5 -48,-0.2 2,-0.3 -0.981 34.2 172.8-133.5 143.3 -2.0 -23.3 11.1 72 72 A F E -BC 22 65A 4 -50,-2.4 -50,-2.5 -2,-0.3 2,-0.3 -0.984 7.7-166.4-149.4 149.5 -5.0 -23.0 8.8 73 73 A S E -BC 21 64A 18 -9,-1.7 -9,-2.0 -2,-0.3 2,-0.5 -0.929 18.2-128.8-137.7 160.7 -6.0 -24.8 5.6 74 74 A L E -BC 20 63A 0 -54,-3.3 -54,-2.7 -2,-0.3 2,-0.4 -0.958 22.0-164.0-112.6 126.7 -8.5 -24.5 2.7 75 75 A H E -BC 19 62A 47 -13,-2.7 -13,-1.7 -2,-0.5 2,-0.5 -0.927 4.7-165.5-111.6 133.5 -10.5 -27.6 1.7 76 76 A I E -BC 18 61A 0 -58,-2.3 -58,-1.8 -2,-0.4 3,-0.3 -0.947 9.7-157.8-121.2 110.1 -12.4 -27.9 -1.6 77 77 A A S S+ 0 0 47 -17,-3.0 3,-0.2 -2,-0.5 -60,-0.2 -0.660 75.1 9.4 -88.1 143.2 -15.0 -30.7 -1.7 78 78 A D S S- 0 0 83 -63,-1.0 2,-0.7 -2,-0.3 -1,-0.2 0.987 88.2-147.0 49.7 74.4 -16.0 -32.1 -5.1 79 79 A S - 0 0 0 -63,-2.0 -64,-0.7 -66,-0.3 -63,-0.3 -0.650 10.5-153.3 -77.4 113.2 -13.3 -30.2 -7.0 80 80 A Q - 0 0 59 -2,-0.7 3,-0.5 -66,-0.2 26,-0.2 -0.320 24.7-115.2 -79.2 167.1 -14.6 -29.2 -10.4 81 81 A P S > S+ 0 0 26 0, 0.0 3,-0.6 0, 0.0 25,-0.3 0.761 113.1 61.6 -74.6 -22.7 -12.2 -28.6 -13.4 82 82 A G T 3 S+ 0 0 55 1,-0.3 -3,-0.0 23,-0.1 2,-0.0 0.702 85.4 73.8 -75.9 -21.2 -13.1 -25.0 -13.5 83 83 A D T 3 + 0 0 28 -3,-0.5 2,-0.8 -45,-0.0 -1,-0.3 -0.027 66.3 125.1 -81.1 30.9 -11.9 -24.3 -10.0 84 84 A S < + 0 0 31 -3,-0.6 2,-0.3 22,-0.1 21,-0.2 -0.859 35.5 119.4 -93.9 116.1 -8.3 -24.5 -11.4 85 85 A A S S- 0 0 4 -2,-0.8 19,-1.4 -47,-0.2 2,-0.3 -0.960 70.5 -81.7-169.3 156.3 -6.7 -21.3 -10.4 86 86 A T E -FG 37 103B 32 -49,-1.7 -49,-2.8 -2,-0.3 2,-0.5 -0.529 46.4-148.3 -72.5 130.6 -3.8 -20.0 -8.4 87 87 A Y E -FG 36 102B 4 15,-4.2 15,-2.2 -2,-0.3 2,-0.5 -0.894 13.5-171.3-109.0 124.9 -4.7 -19.8 -4.7 88 88 A F E -F 35 0B 1 -53,-3.3 -53,-3.4 -2,-0.5 2,-0.3 -0.941 6.9-158.4-115.0 124.7 -3.3 -17.3 -2.3 89 89 A a E -F 34 0B 0 -2,-0.5 10,-0.6 -55,-0.2 2,-0.3 -0.796 18.9-167.0 -99.0 149.5 -3.9 -17.4 1.5 90 90 A A E - 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