==== 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 01-FEB-08 3C60 . COMPND 2 MOLECULE: TCR YAE62 ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.DAI . 1636 10 16 14 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 73329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1102 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 564 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 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 . 218 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 0 0 2 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 17 20 30 12 8 8 9 6 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 6 8 3 2 3 2 0 2 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 D 0 0 46 0, 0.0 2,-0.3 0, 0.0 25,-0.3 0.000 360.0 360.0 360.0 111.3 4.4 -44.9 43.2 2 2 A S B -A 25 0A 42 23,-1.2 23,-0.9 96,-0.1 2,-0.2 -0.981 360.0-143.0-153.6 140.2 6.3 -47.9 44.9 3 3 A V - 0 0 19 96,-0.3 2,-0.3 -2,-0.3 21,-0.2 -0.617 9.2-165.3 -99.9 156.8 9.7 -49.6 44.9 4 4 A T - 0 0 73 19,-0.4 19,-2.1 -2,-0.2 2,-0.9 -0.795 7.9-175.8-149.8 101.6 10.6 -53.2 45.3 5 5 A Q - 0 0 7 -2,-0.3 17,-0.2 17,-0.2 97,-0.2 -0.860 3.3-173.6 -96.5 104.6 14.0 -54.6 46.1 6 6 A M + 0 0 147 -2,-0.9 2,-0.7 15,-0.5 -1,-0.2 0.746 57.8 101.8 -70.1 -22.2 13.7 -58.4 45.8 7 7 A Q + 0 0 50 14,-0.7 3,-0.2 1,-0.2 95,-0.1 -0.512 47.1 179.6 -67.5 106.7 17.2 -58.7 47.1 8 8 A G - 0 0 65 -2,-0.7 96,-0.8 1,-0.3 2,-0.3 0.978 69.9 -19.7 -71.4 -57.5 17.0 -59.6 50.8 9 9 A Q E -b 104 0B 88 94,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.980 63.0-154.1-154.0 138.9 20.8 -59.8 51.4 10 10 A V E +b 105 0B 21 94,-3.8 96,-2.0 -2,-0.3 2,-0.4 -0.954 12.1 175.9-124.3 137.8 23.7 -60.2 49.1 11 11 A T E +b 106 0B 85 -2,-0.4 2,-0.3 94,-0.2 96,-0.2 -0.996 11.6 153.4-140.2 130.8 27.1 -61.6 49.7 12 12 A L E -b 107 0B 31 94,-2.1 96,-0.8 -2,-0.4 4,-0.1 -0.995 42.0 -89.9-159.1 152.9 30.0 -62.2 47.3 13 13 A S E > -b 108 0B 26 -2,-0.3 3,-0.5 94,-0.2 66,-0.1 -0.167 57.8 -83.7 -60.5 150.8 33.8 -62.4 47.0 14 14 A E T 3 S+ 0 0 26 94,-2.0 66,-0.2 1,-0.2 -1,-0.1 -0.144 112.6 24.3 -56.0 149.3 35.9 -59.4 46.2 15 15 A N T 3 S+ 0 0 95 64,-2.6 -1,-0.2 1,-0.2 2,-0.2 0.853 96.1 130.6 60.8 38.9 36.3 -58.3 42.6 16 16 A D E < -G 79 0C 63 63,-0.5 63,-2.1 -3,-0.5 2,-0.7 -0.520 66.4 -86.4-109.7-179.0 33.0 -60.0 41.6 17 17 A F E - 0 0 108 -2,-0.2 2,-0.4 61,-0.2 60,-0.2 -0.813 38.7-153.8 -96.9 117.2 30.0 -58.8 39.7 18 18 A L E +G 76 0C 0 58,-2.3 58,-1.8 -2,-0.7 2,-0.3 -0.746 19.7 168.3 -92.5 132.0 27.4 -57.0 41.8 19 19 A F E +G 75 0C 86 -2,-0.4 2,-0.5 56,-0.2 56,-0.2 -0.751 6.0 179.2-146.1 97.4 23.8 -57.0 40.6 20 20 A I E -G 74 0C 0 54,-1.9 54,-2.6 -2,-0.3 2,-0.3 -0.864 24.1-135.3-101.1 126.7 21.0 -55.8 43.0 21 21 A N + 0 0 23 -2,-0.5 -14,-0.7 52,-0.2 -15,-0.5 -0.619 25.1 174.6 -88.8 138.7 17.5 -55.9 41.5 22 22 A a - 0 0 1 -2,-0.3 50,-2.5 -17,-0.2 2,-0.4 -0.986 6.7-174.4-142.4 130.5 14.9 -53.1 41.8 23 23 A T B -J 71 0D 47 -19,-2.1 -19,-0.4 -2,-0.3 48,-0.2 -0.975 7.5-168.5-130.3 125.2 11.5 -52.8 40.3 24 24 A Y - 0 0 6 46,-1.6 -21,-0.2 -2,-0.4 2,-0.2 -0.457 9.3-162.5-103.6 177.6 9.2 -49.8 40.6 25 25 A S B +A 2 0A 62 -23,-0.9 -23,-1.2 -2,-0.1 2,-0.2 -0.714 22.3 155.2-162.4 103.7 5.6 -49.0 39.8 26 26 A T - 0 0 28 -25,-0.3 66,-0.0 -2,-0.2 -2,-0.0 -0.602 44.3-140.1-123.1-175.4 4.1 -45.5 39.4 27 27 A T S S+ 0 0 97 -2,-0.2 2,-0.1 66,-0.0 -1,-0.1 0.327 91.5 40.2-121.6 -3.3 1.3 -43.6 37.8 28 28 A G S S- 0 0 13 596,-0.0 -2,-0.2 595,-0.0 66,-0.1 -0.031 104.5 -75.4-118.7-141.8 3.6 -40.7 36.9 29 29 A Y - 0 0 117 64,-0.3 679,-0.0 -2,-0.1 23,-0.0 -0.694 57.9-169.4-130.4 76.0 7.1 -40.1 35.6 30 30 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 63,-0.3 -0.155 21.4-126.7 -67.0 156.3 9.3 -40.8 38.7 31 31 A T E -C 92 0B 16 61,-1.8 61,-2.2 21,-0.0 2,-0.4 -0.840 28.2-139.4-100.9 141.4 12.9 -40.1 39.2 32 32 A L E -CD 91 49B 4 17,-2.7 17,-2.8 -2,-0.4 2,-0.3 -0.863 21.8-177.0-109.0 141.1 14.9 -43.2 40.4 33 33 A F E -CD 90 48B 0 57,-3.8 57,-2.3 -2,-0.4 2,-0.4 -0.874 19.9-152.6-131.4 165.9 17.6 -43.2 43.0 34 34 A W E -CD 89 47B 0 13,-1.9 12,-3.0 -2,-0.3 13,-1.2 -0.997 15.5-167.7-135.5 127.8 20.1 -45.5 44.7 35 35 A Y E -CD 88 45B 2 53,-3.7 53,-4.4 -2,-0.4 2,-0.5 -0.974 7.4-153.7-121.1 136.1 21.2 -44.8 48.3 36 36 A V E -CD 87 44B 0 8,-2.2 8,-1.7 -2,-0.4 2,-0.6 -0.932 7.2-166.3-108.8 125.0 24.2 -46.5 50.0 37 37 A Q E -C 86 0B 13 49,-3.7 49,-2.3 -2,-0.5 2,-0.4 -0.906 6.7-155.5-117.5 106.8 24.2 -46.7 53.8 38 38 A Y > - 0 0 50 -2,-0.6 3,-2.4 4,-0.4 47,-0.1 -0.642 40.9 -88.3 -79.5 131.1 27.5 -47.7 55.4 39 39 A S T 3 S+ 0 0 107 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.033 113.5 19.6 -40.3 125.5 27.1 -49.3 58.8 40 40 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 -0.075 113.0 74.7 104.2 -35.3 27.0 -46.6 61.5 41 41 A E S < S- 0 0 77 -3,-2.4 -1,-0.3 1,-0.1 262,-0.1 -0.499 85.2 -95.7-105.8 176.3 26.2 -43.6 59.3 42 42 A G - 0 0 13 -2,-0.2 -4,-0.4 1,-0.1 -1,-0.1 -0.506 54.3 -79.9 -87.1 163.3 23.0 -42.4 57.7 43 43 A P - 0 0 5 0, 0.0 258,-0.6 0, 0.0 2,-0.3 -0.286 48.4-169.3 -65.3 144.7 22.1 -43.2 54.0 44 44 A Q E -D 36 0B 74 -8,-1.7 -8,-2.2 256,-0.1 2,-0.3 -0.879 28.9 -87.9-131.0 163.0 23.7 -41.1 51.3 45 45 A L E +D 35 0B 81 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.1 -0.549 36.1 170.5 -78.5 134.7 23.2 -40.8 47.6 46 46 A L E - 0 0 11 -12,-3.0 2,-0.3 1,-0.4 -11,-0.2 0.811 65.5 -28.2-102.8 -61.1 25.0 -43.1 45.2 47 47 A L E -D 34 0B 8 -13,-1.2 -13,-1.9 9,-0.1 -1,-0.4 -0.992 54.4-167.9-158.9 156.5 23.3 -42.3 41.9 48 48 A Q E -D 33 0B 65 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.952 9.7-155.3-145.2 162.5 20.0 -41.1 40.4 49 49 A V E +D 32 0B 8 -17,-2.8 -17,-2.7 -2,-0.3 4,-0.1 -0.909 11.5 174.1-145.8 112.1 18.1 -40.8 37.1 50 50 A T + 0 0 60 -2,-0.3 2,-0.3 -19,-0.3 -1,-0.1 0.945 68.0 63.5 -80.2 -53.8 15.4 -38.3 36.4 51 51 A T S S- 0 0 54 1,-0.1 14,-0.2 -20,-0.1 3,-0.1 -0.543 90.4-113.7 -76.3 133.6 14.7 -38.9 32.7 52 52 A A S S+ 0 0 41 -2,-0.3 14,-0.1 1,-0.2 -1,-0.1 -0.009 86.7 26.9 -59.9 171.0 13.5 -42.3 31.7 53 53 A N S S+ 0 0 100 12,-1.6 2,-0.2 11,-0.1 -1,-0.2 0.837 96.4 83.1 36.1 71.1 15.5 -44.7 29.6 54 54 A N - 0 0 76 -3,-0.1 11,-1.5 11,-0.1 2,-0.2 -0.838 69.0-106.0 176.4 152.8 19.2 -43.9 30.3 55 55 A K E -H 64 0C 121 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.631 14.9-158.1-101.5 152.3 21.8 -44.8 32.9 56 56 A G E -H 63 0C 16 7,-2.5 7,-2.6 -2,-0.2 2,-0.3 -0.904 15.0-174.3-120.1 147.9 23.5 -43.0 35.7 57 57 A S E +H 62 0C 83 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -1.000 9.5 169.5-147.3 145.9 26.8 -44.0 37.2 58 58 A S E > -H 61 0C 43 3,-1.4 3,-3.8 -2,-0.3 -11,-0.0 -0.984 66.2 -8.7-153.7 147.8 28.9 -43.0 40.1 59 59 A R T 3 S- 0 0 144 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.771 131.9 -41.6 26.0 62.0 32.1 -44.4 41.8 60 60 A G T 3 S+ 0 0 50 1,-0.2 17,-0.5 16,-0.0 -1,-0.3 0.310 118.4 106.2 79.2 -9.0 32.0 -47.7 39.9 61 61 A F E < +HI 58 76C 1 -3,-3.8 -3,-1.4 15,-0.1 2,-0.3 -0.658 42.4 178.8-102.2 162.0 28.3 -48.3 40.0 62 62 A E E -HI 57 75C 48 13,-1.7 13,-2.3 -5,-0.2 2,-0.3 -0.944 6.5-178.0-162.0 139.4 25.8 -47.9 37.3 63 63 A A E -HI 56 74C 1 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.4 -0.999 16.2-138.9-143.3 144.8 22.0 -48.3 36.8 64 64 A T E -H 55 0C 56 9,-0.6 2,-1.7 -2,-0.3 -9,-0.2 -0.853 13.7-133.5-110.3 137.3 19.6 -47.9 34.0 65 65 A Y - 0 0 6 -11,-1.5 -12,-1.6 -2,-0.4 2,-0.8 -0.600 31.8-177.3 -87.4 82.1 16.1 -46.4 33.9 66 66 A D B > +K 71 0D 49 -2,-1.7 5,-2.0 5,-1.6 4,-0.4 -0.723 14.2 179.6 -88.9 108.9 14.3 -49.1 32.0 67 67 A K T 5S+ 0 0 98 -2,-0.8 3,-0.2 3,-0.2 -1,-0.2 0.850 80.3 60.4 -74.0 -37.2 10.7 -48.1 31.4 68 68 A G T 5S+ 0 0 75 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.823 121.1 27.0 -60.4 -31.4 9.8 -51.3 29.5 69 69 A T T 5S- 0 0 79 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.365 99.1-134.1-109.0 -2.0 10.8 -53.3 32.5 70 70 A T T 5 + 0 0 42 -4,-0.4 -46,-1.6 1,-0.2 2,-0.3 0.920 63.5 134.5 44.3 50.0 10.0 -50.6 35.1 71 71 A S B < -JK 23 66D 6 -5,-2.0 -5,-1.6 -48,-0.2 -48,-0.2 -0.884 46.4-175.0-129.7 159.7 13.4 -51.6 36.6 72 72 A F - 0 0 2 -50,-2.5 -7,-0.1 -2,-0.3 -49,-0.1 -0.283 23.2-179.5-150.0 52.9 16.5 -49.8 38.0 73 73 A H - 0 0 43 -9,-0.2 -9,-0.6 -51,-0.2 2,-0.4 -0.272 23.8-126.3 -62.3 142.7 18.9 -52.6 38.8 74 74 A L E -GI 20 63C 0 -54,-2.6 -54,-1.9 -11,-0.2 2,-0.4 -0.784 26.9-169.5 -95.9 131.1 22.3 -51.7 40.3 75 75 A Q E +GI 19 62C 65 -13,-2.3 -13,-1.7 -2,-0.4 2,-0.3 -0.932 14.7 169.1-125.1 145.2 25.5 -53.0 38.7 76 76 A K E -GI 18 61C 18 -58,-1.8 -58,-2.3 -2,-0.4 3,-0.2 -0.977 13.9-166.2-149.4 137.3 29.1 -53.0 39.6 77 77 A T E S+ 0 0 98 -17,-0.5 2,-0.8 -2,-0.3 -1,-0.1 0.902 86.2 31.2 -93.4 -55.5 31.9 -55.0 37.9 78 78 A S E S- 0 0 52 -18,-0.2 2,-0.4 -61,-0.1 -1,-0.2 -0.601 78.3-166.8-106.3 73.3 34.8 -54.9 40.3 79 79 A V E -G 16 0C 0 -63,-2.1 -64,-2.6 -2,-0.8 -63,-0.5 -0.428 9.5-153.9 -63.6 113.0 33.0 -54.8 43.7 80 80 A Q > - 0 0 66 -2,-0.4 3,-0.6 -66,-0.2 27,-0.1 -0.336 27.9-111.2 -80.6 169.2 35.7 -53.9 46.3 81 81 A E G > S+ 0 0 40 1,-0.2 3,-1.2 2,-0.1 26,-0.4 0.743 116.5 68.0 -73.5 -19.5 35.4 -54.9 49.9 82 82 A I G 3 S+ 0 0 122 1,-0.3 -1,-0.2 3,-0.0 -3,-0.1 0.849 84.6 69.7 -66.3 -33.8 34.8 -51.3 50.7 83 83 A D G < + 0 0 14 -3,-0.6 2,-0.6 2,-0.0 -1,-0.3 0.313 68.0 125.7 -68.7 10.5 31.5 -51.4 48.9 84 84 A S < + 0 0 27 -3,-1.2 2,-0.3 23,-0.2 -45,-0.2 -0.643 40.8 97.1 -74.7 120.3 30.1 -53.5 51.7 85 85 A A E S- E 0 105B 8 20,-0.7 20,-3.7 -2,-0.6 2,-0.5 -0.950 78.0 -67.2-176.2-171.0 27.0 -51.7 52.9 86 86 A V E -CE 37 104B 36 -49,-2.3 -49,-3.7 -2,-0.3 2,-0.5 -0.910 44.4-151.9-104.2 128.5 23.2 -51.5 52.7 87 87 A Y E -CE 36 103B 0 16,-3.7 16,-1.4 -2,-0.5 2,-0.4 -0.896 7.9-161.9-108.0 123.9 21.9 -50.4 49.3 88 88 A Y E -C 35 0B 8 -53,-4.4 -53,-3.7 -2,-0.5 2,-0.4 -0.883 6.1-155.6-109.8 133.0 18.5 -48.6 49.0 89 89 A a E +C 34 0B 3 -2,-0.4 11,-1.9 -55,-0.2 2,-0.3 -0.865 22.2 176.2-102.5 133.7 16.5 -48.2 45.9 90 90 A A E -CF 33 99B 0 -57,-2.3 -57,-3.8 -2,-0.4 2,-0.3 -0.989 15.3-168.2-142.7 152.4 14.1 -45.2 45.8 91 91 A A E -CF 32 98B 1 7,-2.0 7,-2.4 -2,-0.3 2,-0.4 -0.992 1.1-172.4-138.9 144.8 11.6 -43.5 43.5 92 92 A N E +C 31 0B 7 -61,-2.2 -61,-1.8 -2,-0.3 5,-0.1 -0.880 21.2 156.6-144.5 109.3 9.8 -40.2 43.5 93 93 A S S S+ 0 0 21 -2,-0.4 -64,-0.3 -63,-0.3 -1,-0.1 0.077 79.9 26.2-112.2 19.9 7.1 -39.2 41.1 94 94 A G S S- 0 0 25 2,-0.2 3,-0.1 201,-0.2 -2,-0.1 -0.127 117.3 -47.2-143.7-120.5 5.6 -36.7 43.5 95 97 A T S S+ 0 0 9 1,-0.2 2,-0.3 -2,-0.1 -3,-0.0 0.722 112.6 35.4-104.0 -23.9 6.7 -34.7 46.5 96 98 A Y S S- 0 0 37 -5,-0.1 2,-0.4 201,-0.1 -3,-0.3 -0.972 78.7-111.5-134.2 150.1 8.7 -37.2 48.5 97 99 A Q - 0 0 0 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.2 -0.582 23.3-152.9 -80.6 126.9 10.9 -40.2 47.9 98 100 A R E -F 91 0B 93 -7,-2.4 -7,-2.0 -2,-0.4 2,-0.2 -0.776 14.8-146.6 -97.6 146.4 9.7 -43.7 48.7 99 101 A F E -F 90 0B 19 142,-0.6 -96,-0.3 -2,-0.3 -9,-0.2 -0.691 6.3-124.7-110.2 162.7 12.3 -46.3 49.5 100 102 A G - 0 0 5 -11,-1.9 141,-0.8 -2,-0.2 -96,-0.1 -0.265 41.1 -90.7 -91.8-174.9 12.6 -50.0 49.0 101 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