==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL RECEPTOR 23-JAN-06 2CDE . COMPND 2 MOLECULE: INKT-TCR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.D.GADOLA,M.KOCH,J.MARLES-WRIGHT,N.M.LISSIN,D.SHEPERD, . 1308 6 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 762 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 436 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.7 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 . 1 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 . 129 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 3 0 3 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 . 3 0 0 0 6 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 . 15 24 20 5 12 4 8 3 3 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 . 3 5 3 2 4 3 0 2 0 0 1 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 2 A N 0 0 101 0, 0.0 2,-0.6 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -44.3 155.8 25.3 25.3 2 3 A Q - 0 0 95 23,-0.4 23,-1.1 100,-0.1 2,-0.6 -0.946 360.0-170.2-119.9 113.2 152.2 26.2 25.7 3 4 A V E -A 24 0A 15 -2,-0.6 2,-0.6 100,-0.3 102,-0.5 -0.902 6.7-166.1-105.8 113.9 150.7 26.2 29.3 4 5 A E E +A 23 0A 104 19,-3.8 19,-2.7 -2,-0.6 2,-0.4 -0.879 7.7 179.9-107.1 121.7 147.0 26.7 29.4 5 6 A Q E -A 22 0A 15 -2,-0.6 17,-0.2 17,-0.2 100,-0.1 -0.907 14.9-131.4-119.4 146.5 145.2 27.5 32.7 6 7 A S E S+A 21 0A 64 15,-1.6 15,-1.8 -2,-0.4 2,-0.2 -0.978 72.1 25.8-159.3 147.3 141.5 28.0 33.4 7 8 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 99,-0.0 0.616 64.5-159.3 -65.3-163.9 139.6 29.7 34.7 8 9 A Q S S+ 0 0 119 1,-0.5 100,-2.1 -2,-0.2 2,-0.3 0.547 76.7 16.2-116.5 -17.5 141.6 32.9 34.5 9 10 A S E S+f 108 0B 87 98,-0.3 -1,-0.5 77,-0.0 2,-0.3 -0.977 71.6 169.5-153.5 145.6 139.7 34.7 37.2 10 11 A L E -f 109 0B 55 98,-2.2 100,-0.9 -2,-0.3 2,-0.4 -0.992 17.5-161.2-160.9 154.2 137.4 33.4 39.9 11 12 A I E +f 110 0B 87 -2,-0.3 2,-0.3 98,-0.2 100,-0.2 -0.976 21.9 156.8-144.8 126.7 135.6 34.4 43.0 12 13 A I E -f 111 0B 32 98,-3.2 100,-2.8 -2,-0.4 2,-0.2 -0.872 31.9-112.1-141.9 172.8 134.2 32.1 45.7 13 14 A L E > -f 112 0B 41 -2,-0.3 3,-1.1 98,-0.2 66,-0.3 -0.617 43.0 -80.3-106.3 167.7 133.2 31.9 49.4 14 15 A E T 3 S+ 0 0 30 98,-1.1 66,-0.2 1,-0.2 -1,-0.2 -0.007 109.4 30.9 -59.5 167.8 134.6 30.1 52.4 15 16 A G T 3 S+ 0 0 54 64,-2.0 63,-0.5 1,-0.2 2,-0.3 0.314 91.8 124.2 65.3 -11.4 133.8 26.4 53.0 16 17 A K < - 0 0 98 -3,-1.1 63,-1.8 61,-0.1 2,-0.9 -0.642 59.4-137.0 -87.2 138.1 133.6 25.9 49.3 17 18 A N - 0 0 85 -2,-0.3 60,-0.2 61,-0.2 2,-0.1 -0.789 30.2-178.5 -96.0 99.4 135.7 23.2 47.6 18 19 A C - 0 0 12 -2,-0.9 58,-2.7 58,-0.2 2,-0.3 -0.343 8.4-172.9 -91.2 175.6 137.0 24.7 44.3 19 20 A T E - B 0 75A 72 56,-0.3 2,-0.3 -2,-0.1 56,-0.2 -0.961 1.7-173.7-162.7 153.1 139.2 23.1 41.6 20 21 A L E - B 0 74A 13 54,-0.9 54,-2.2 -2,-0.3 2,-0.2 -0.981 13.4-132.0-151.2 160.0 141.0 24.3 38.5 21 22 A Q E -AB 6 73A 80 -15,-1.8 -15,-1.6 -2,-0.3 2,-0.3 -0.692 6.3-155.2-122.7 172.8 142.9 22.8 35.6 22 23 A a E +AB 5 72A 0 50,-2.2 50,-1.8 -2,-0.2 2,-0.3 -0.996 11.7 176.4-142.0 140.5 146.0 23.0 33.4 23 24 A N E +AB 4 71A 50 -19,-2.7 -19,-3.8 -2,-0.3 2,-0.3 -0.920 13.0 161.1-139.0 163.4 146.8 21.9 29.9 24 25 A Y E -A 3 0A 25 46,-0.9 -21,-0.2 -2,-0.3 2,-0.2 -0.976 39.9-116.6-168.9-177.6 149.9 22.2 27.7 25 26 A T + 0 0 89 -23,-1.1 2,-0.4 -2,-0.3 -23,-0.4 -0.637 48.0 141.3-139.3 77.1 152.2 21.4 24.8 26 27 A V - 0 0 14 -2,-0.2 -2,-0.1 -25,-0.2 3,-0.1 -0.956 48.2-135.4-122.3 139.6 155.6 20.2 25.9 27 28 A S S S+ 0 0 99 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.980 88.2 10.0 -55.6 -64.5 157.7 17.4 24.4 28 29 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 66,-0.2 -0.859 69.0-161.4-119.6 158.7 158.7 15.7 27.6 29 30 A F + 0 0 48 -2,-0.3 64,-0.1 64,-0.2 22,-0.1 -0.885 28.6 147.3-130.3 164.5 157.6 16.1 31.2 30 31 A S S S+ 0 0 14 62,-0.5 2,-0.4 1,-0.4 21,-0.2 0.241 70.5 42.2-160.0 -42.9 158.9 15.2 34.6 31 32 A N E -G 92 0B 8 61,-0.7 61,-1.0 19,-0.1 -1,-0.4 -0.943 50.7-178.5-124.5 143.1 157.7 17.9 36.9 32 33 A L E -GH 91 49B 6 17,-1.1 17,-2.8 -2,-0.4 2,-0.4 -0.983 17.4-173.6-136.3 121.9 154.4 19.7 37.3 33 34 A R E -GH 90 48B 3 57,-3.1 57,-3.0 -2,-0.4 2,-0.4 -0.911 18.5-157.5-127.5 151.1 154.0 22.3 39.9 34 35 A W E -GH 89 47B 2 13,-1.4 12,-2.6 -2,-0.4 13,-0.9 -0.987 17.9-172.7-123.7 126.7 151.4 24.5 41.4 35 36 A Y E -GH 88 45B 1 53,-2.5 53,-0.5 -2,-0.4 10,-0.2 -0.683 22.6-146.1-114.9 169.9 152.2 27.8 43.1 36 37 A K E -G 87 0B 31 8,-0.5 51,-0.2 -2,-0.2 2,-0.2 -0.557 22.0-173.4-133.8 67.9 150.3 30.4 45.2 37 38 A Q E -G 86 0B 15 49,-0.6 49,-1.4 -2,-0.1 2,-0.2 -0.446 13.1-150.3 -66.9 132.2 151.8 33.8 44.4 38 39 A D > - 0 0 46 4,-0.3 3,-3.1 -2,-0.2 47,-0.1 -0.683 36.8 -64.5-105.2 159.1 150.4 36.5 46.6 39 40 A T T 3 S- 0 0 105 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.108 120.7 -14.0 -42.2 111.8 149.9 40.2 46.0 40 41 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.401 119.1 107.0 72.1 -4.0 153.4 41.7 45.6 41 42 A R S < S- 0 0 176 -3,-3.1 -1,-0.2 1,-0.1 260,-0.1 -0.599 74.9 -99.5-103.8 166.8 154.9 38.5 47.0 42 43 A G - 0 0 10 256,-0.3 -4,-0.3 -2,-0.2 -6,-0.1 -0.625 47.1 -90.9 -88.0 145.9 156.8 35.7 45.4 43 44 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.288 34.9-136.1 -42.0 169.8 155.2 32.3 44.4 44 45 A V - 0 0 43 252,-0.1 2,-0.8 253,-0.0 -8,-0.5 -0.997 14.2-120.5-141.1 133.8 155.1 29.3 46.7 45 46 A S E +H 35 0B 37 -2,-0.4 -10,-0.2 1,-0.2 3,-0.1 -0.603 37.7 163.6 -75.4 109.5 155.7 25.6 45.9 46 47 A L E - 0 0 24 -12,-2.6 2,-0.3 -2,-0.8 -1,-0.2 0.853 64.1 -18.5 -92.4 -39.8 152.4 23.8 46.8 47 48 A T E -H 34 0B 19 -13,-0.9 -13,-1.4 15,-0.1 2,-0.4 -0.987 46.5-153.1-165.5 155.3 153.2 20.5 44.9 48 49 A I E -H 33 0B 24 -2,-0.3 2,-0.2 -15,-0.2 -15,-0.2 -0.945 19.4-166.8-138.6 114.6 155.3 18.8 42.3 49 50 A M E +H 32 0B 3 -17,-2.8 -17,-1.1 -2,-0.4 2,-0.2 -0.669 7.8 178.0-103.9 157.9 154.0 15.8 40.3 50 51 A T - 0 0 34 2,-0.4 -19,-0.1 -2,-0.2 -20,-0.1 -0.546 65.4 -49.8-133.0-162.2 155.8 13.3 38.1 51 52 A F S S+ 0 0 144 -2,-0.2 2,-1.0 -21,-0.2 -20,-0.1 0.514 106.2 114.6 -56.7 1.2 154.8 10.2 36.1 52 53 A S S S- 0 0 49 1,-0.1 -2,-0.4 2,-0.0 3,-0.2 -0.701 80.8 -82.6 -84.8 105.6 153.3 9.4 39.6 53 54 A E - 0 0 147 -2,-1.0 12,-0.1 1,-0.2 -3,-0.1 0.439 46.4 -83.2 31.8-164.3 149.5 9.3 39.3 54 55 A N S S+ 0 0 75 10,-0.2 2,-0.4 1,-0.1 -1,-0.2 -0.040 100.5 77.6-120.3 23.6 146.9 12.1 39.4 55 56 A T + 0 0 75 -3,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.904 38.2 142.8-148.6 120.0 146.7 12.4 43.1 56 57 A K E -C 63 0A 50 7,-1.1 7,-2.4 -2,-0.4 2,-0.2 -0.955 27.9-155.9-150.2 125.7 149.0 14.0 45.7 57 58 A S E +C 62 0A 97 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.675 20.2 173.7-108.4 162.6 147.7 15.8 48.8 58 59 A N E > -C 61 0A 100 3,-1.8 3,-0.8 1,-0.3 2,-0.3 -0.543 67.2 -63.6-164.0 84.3 149.0 18.5 51.1 59 60 A G T 3 S- 0 0 73 1,-0.2 -1,-0.3 -2,-0.1 0, 0.0 -0.512 122.2 -4.8 69.9-128.2 146.5 19.7 53.7 60 61 A R T 3 S+ 0 0 117 -2,-0.3 17,-2.0 -3,-0.1 2,-0.4 0.161 120.1 92.8 -85.3 19.3 143.5 21.4 51.9 61 62 A Y E < -CD 58 76A 29 -3,-0.8 -3,-1.8 15,-0.2 2,-0.4 -0.910 49.6-177.7-116.9 141.9 145.2 21.0 48.6 62 63 A T E -CD 57 75A 31 13,-1.8 13,-4.7 -2,-0.4 -5,-0.2 -0.879 7.7-162.4-143.9 109.8 144.9 18.2 46.1 63 64 A A E -C 56 0A 0 -7,-2.4 -7,-1.1 -2,-0.4 2,-0.3 -0.453 3.3-162.7 -86.0 160.6 146.8 18.0 42.8 64 65 A T - 0 0 33 9,-0.3 9,-1.8 -9,-0.2 2,-0.4 -0.884 2.2-160.0-150.5 115.1 145.8 15.7 39.9 65 66 A L B -E 72 0A 6 -2,-0.3 7,-0.2 7,-0.2 -15,-0.0 -0.810 26.0-115.3-100.7 132.0 148.0 14.7 37.0 66 67 A D - 0 0 20 5,-1.4 6,-0.1 -2,-0.4 -1,-0.1 -0.245 24.8-120.5 -59.2 146.0 146.5 13.4 33.7 67 68 A A S S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 -14,-0.0 0.977 116.7 28.5 -50.6 -71.2 147.3 9.8 32.8 68 69 A D S S- 0 0 92 1,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.584 122.1-114.8 -67.5 -8.7 149.1 10.5 29.5 69 70 A T S S+ 0 0 15 2,-0.2 -2,-0.1 -4,-0.0 3,-0.1 0.989 76.8 128.2 70.9 76.8 150.0 13.8 31.2 70 71 A K S S+ 0 0 99 1,-0.4 -46,-0.9 -48,-0.1 2,-0.3 0.371 73.2 14.4-134.9 -11.1 148.1 16.3 29.1 71 72 A Q E -B 23 0A 64 -48,-0.2 -5,-1.4 2,-0.0 -1,-0.4 -0.946 58.6-162.2-168.5 146.5 146.3 18.1 31.9 72 73 A S E -BE 22 65A 2 -50,-1.8 -50,-2.2 -2,-0.3 2,-0.4 -0.891 6.1-151.9-131.4 160.3 146.1 18.6 35.7 73 74 A S E -B 21 0A 22 -9,-1.8 2,-0.7 -2,-0.3 -9,-0.3 -0.997 7.3-149.5-138.1 133.6 143.7 19.8 38.3 74 75 A L E -B 20 0A 0 -54,-2.2 -54,-0.9 -2,-0.4 2,-0.6 -0.884 17.0-161.5-103.2 108.9 144.3 21.4 41.7 75 76 A H E -BD 19 62A 54 -13,-4.7 -13,-1.8 -2,-0.7 2,-0.4 -0.806 6.2-169.6 -93.4 122.3 141.4 20.5 44.1 76 77 A I E - D 0 61A 2 -58,-2.7 2,-0.3 -2,-0.6 -58,-0.2 -0.924 7.1-151.7-112.7 138.1 141.1 22.8 47.1 77 78 A T + 0 0 46 -17,-2.0 -61,-0.1 -2,-0.4 -60,-0.1 -0.745 65.2 0.7-109.1 156.9 138.8 21.9 50.0 78 79 A A S S- 0 0 23 -63,-0.5 -1,-0.2 -2,-0.3 -61,-0.2 0.867 87.3-132.3 31.5 73.9 137.0 24.2 52.5 79 80 A S - 0 0 11 -63,-1.8 -64,-2.0 -66,-0.3 2,-0.4 -0.123 19.7-158.2 -53.6 143.4 138.3 27.4 51.1 80 81 A Q > - 0 0 85 -66,-0.2 3,-3.7 -3,-0.1 4,-0.5 -0.989 25.6-124.7-126.0 134.3 139.7 30.0 53.4 81 82 A L G > S+ 0 0 34 -2,-0.4 3,-1.6 1,-0.3 30,-0.3 0.784 110.7 67.7 -47.7 -30.9 139.9 33.7 52.5 82 83 A S G 3 S+ 0 0 61 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.662 93.0 61.8 -64.6 -14.9 143.6 33.6 53.3 83 84 A D G < S+ 0 0 15 -3,-3.7 2,-0.4 2,-0.0 -1,-0.3 0.672 71.1 118.9 -83.4 -20.1 143.8 31.3 50.2 84 85 A S < + 0 0 51 -3,-1.6 2,-0.3 -4,-0.5 26,-0.2 -0.293 46.8 107.1 -51.7 105.0 142.6 34.1 47.9 85 86 A A S S- 0 0 5 -2,-0.4 24,-1.7 22,-0.1 2,-0.4 -0.968 73.9 -81.1-168.7 173.3 145.5 34.4 45.6 86 87 A S E -GI 37 108B 20 -49,-1.4 -49,-0.6 -2,-0.3 2,-0.4 -0.725 40.9-153.9 -90.3 139.2 146.7 33.7 42.0 87 88 A Y E -GI 36 107B 1 20,-1.3 20,-0.9 -2,-0.4 2,-0.4 -0.955 3.5-155.7-119.1 133.5 147.9 30.2 41.3 88 89 A I E -G 35 0B 6 -53,-0.5 -53,-2.5 -2,-0.4 2,-0.6 -0.865 6.4-151.4-110.4 139.7 150.4 29.2 38.6 89 90 A a E -G 34 0B 0 -2,-0.4 15,-0.5 -55,-0.2 2,-0.4 -0.941 21.8-175.0-107.3 117.9 150.8 25.9 37.0 90 91 A V E -GJ 33 103B 1 -57,-3.0 -57,-3.1 -2,-0.6 13,-0.2 -0.963 6.5-173.3-122.9 132.5 154.3 25.3 35.8 91 92 A V E -GJ 32 102B 2 11,-1.9 11,-1.8 -2,-0.4 2,-0.3 -0.630 7.8-152.7-111.9 171.9 155.7 22.4 33.8 92 93 A S E -GJ 31 101B 3 -61,-1.0 2,-1.4 9,-0.3 -61,-0.7 -0.983 26.6-116.4-154.2 139.4 159.3 21.5 32.8 93 94 A D - 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