==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 30-OCT-09 3KHQ . COMPND 2 MOLECULE: B-CELL ANTIGEN RECEPTOR COMPLEX-ASSOCIATED PROTEI . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.RADAEV,P.D.SUN . 93 2 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 8 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 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 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 43 A a 0 0 71 0, 0.0 4,-0.2 0, 0.0 87,-0.0 0.000 360.0 360.0 360.0 170.3 5.1 10.0 25.5 2 44 A S - 0 0 58 2,-0.9 3,-0.1 85,-0.0 0, 0.0 0.693 360.0 -37.0 -99.1-109.0 5.3 6.3 26.0 3 45 A Q S S+ 0 0 116 1,-0.1 23,-0.8 22,-0.0 2,-0.4 0.399 132.4 61.4 -97.0 -6.3 8.4 4.2 25.3 4 46 A I E S-A 25 0A 25 21,-0.2 -2,-0.9 22,-0.1 83,-0.4 -0.995 74.2-158.1-124.3 124.7 9.1 6.4 22.3 5 47 A W E -A 24 0A 76 19,-2.7 19,-2.0 -2,-0.4 2,-0.4 -0.869 6.1-163.9-109.7 139.2 9.8 10.1 22.8 6 48 A Q E -A 23 0A 4 -2,-0.4 17,-0.2 17,-0.2 82,-0.1 -0.953 11.1-129.4-125.9 145.2 9.3 12.8 20.1 7 49 A H E S+A 22 0A 106 15,-2.5 15,-3.3 -2,-0.4 2,-0.2 -0.996 81.8 19.6-141.3 131.7 10.5 16.3 19.8 8 50 A P - 0 0 49 0, 0.0 14,-0.1 0, 0.0 3,-0.1 0.682 62.9-162.3 -76.7-174.5 9.0 18.7 19.1 9 51 A R S S+ 0 0 125 1,-0.3 81,-2.5 -2,-0.2 2,-0.3 0.645 79.9 24.5-100.3 -18.9 5.3 17.9 19.8 10 52 A F E +d 90 0B 108 79,-0.2 2,-0.4 65,-0.0 -1,-0.3 -0.992 63.2 176.8-146.2 135.5 4.0 20.7 17.7 11 53 A A E -d 91 0B 15 79,-2.5 81,-2.7 -2,-0.3 2,-0.5 -0.996 8.0-169.9-140.4 135.3 5.4 22.7 14.8 12 54 A A E +d 92 0B 39 -2,-0.4 2,-0.3 79,-0.2 81,-0.2 -0.991 20.1 168.3-126.3 119.9 3.9 25.5 12.8 13 55 A K E -d 93 0B 79 79,-2.1 81,-3.0 -2,-0.5 2,-0.1 -0.977 34.9-111.2-137.3 144.4 5.7 26.5 9.6 14 56 A K > - 0 0 156 -2,-0.3 3,-1.9 79,-0.2 54,-0.2 -0.399 52.0 -85.8 -70.6 149.7 5.1 28.6 6.6 15 57 A R T 3 S+ 0 0 169 79,-1.6 54,-0.2 1,-0.2 -1,-0.1 -0.223 115.4 28.0 -54.7 144.1 4.8 26.9 3.2 16 58 A S T 3 S+ 0 0 87 52,-3.2 51,-0.5 1,-0.3 -1,-0.2 0.238 96.9 114.1 85.0 -9.8 8.2 26.3 1.5 17 59 A S < - 0 0 31 -3,-1.9 51,-2.5 51,-0.2 2,-0.3 -0.162 63.4-116.3 -83.5 179.6 10.1 26.2 4.9 18 60 A M - 0 0 95 48,-0.2 2,-0.3 49,-0.2 48,-0.2 -0.913 24.5-170.2-118.9 146.7 12.0 23.2 6.4 19 61 A V E - B 0 65A 10 46,-2.3 46,-2.8 -2,-0.3 2,-0.4 -0.984 7.8-158.8-134.6 151.0 11.3 21.2 9.6 20 62 A K E - B 0 64A 108 -2,-0.3 2,-0.3 44,-0.2 44,-0.2 -0.997 9.1-173.4-128.5 128.9 13.2 18.6 11.5 21 63 A F E - B 0 63A 1 42,-2.4 42,-2.6 -2,-0.4 2,-0.3 -0.884 7.9-156.3-115.4 157.3 11.6 16.2 14.0 22 64 A H E +AB 7 62A 68 -15,-3.3 -15,-2.5 -2,-0.3 2,-0.3 -0.963 11.0 179.0-137.2 144.3 13.4 13.7 16.3 23 65 A b E +AB 6 61A 0 38,-2.2 38,-3.0 -2,-0.3 2,-0.3 -0.993 4.0 169.1-141.3 152.8 12.4 10.5 18.0 24 66 A Y E -A 5 0A 93 -19,-2.0 -19,-2.7 -2,-0.3 2,-0.3 -0.979 10.9-161.4-153.5 164.1 14.2 8.0 20.3 25 67 A T E -A 4 0A 20 34,-0.5 -21,-0.2 -2,-0.3 4,-0.1 -0.918 28.4-126.0-142.6 167.5 13.5 5.0 22.5 26 68 A N S S+ 0 0 106 -23,-0.8 2,-0.2 -2,-0.3 -22,-0.1 0.415 88.2 80.3 -94.0 -1.1 15.2 3.1 25.3 27 69 A H S S- 0 0 106 -24,-0.3 -2,-0.2 2,-0.1 2,-0.1 -0.616 88.3-101.8 -97.7 161.3 14.8 -0.3 23.5 28 70 A S S S+ 0 0 123 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.503 73.4 77.5 -75.8 157.2 17.0 -1.6 20.6 29 71 A G S S- 0 0 32 -2,-0.1 -4,-0.1 -4,-0.1 2,-0.1 -0.120 78.0 -81.4 120.1 143.9 15.8 -1.4 17.1 30 72 A A - 0 0 35 -2,-0.1 51,-2.9 50,-0.1 52,-0.4 -0.404 39.0-141.1 -69.8 150.1 15.4 1.1 14.3 31 73 A L E -E 80 0B 5 49,-0.2 2,-0.3 50,-0.1 49,-0.2 -0.826 12.5-160.6-107.4 152.2 12.5 3.5 14.3 32 74 A T E -E 79 0B 13 47,-2.3 47,-2.2 -2,-0.3 2,-0.3 -0.984 18.4-116.5-132.9 148.2 10.7 4.6 11.2 33 75 A W E -E 78 0B 1 -2,-0.3 12,-1.7 45,-0.2 2,-0.3 -0.634 27.6-178.2 -90.1 144.0 8.4 7.5 10.6 34 76 A F E -EF 77 44B 38 43,-2.9 43,-2.3 -2,-0.3 2,-0.4 -0.899 15.0-142.8-132.1 157.2 4.7 7.5 9.7 35 77 A R E -EF 76 43B 19 8,-2.5 8,-2.6 -2,-0.3 2,-0.4 -0.955 10.8-165.1-123.9 142.4 2.2 10.2 9.0 36 78 A K E -E 75 0B 62 39,-2.5 39,-2.9 -2,-0.4 2,-0.5 -0.995 6.5-158.3-129.4 128.9 -1.5 10.2 10.1 37 79 A R > - 0 0 96 -2,-0.4 3,-2.4 4,-0.3 37,-0.1 -0.953 65.5 -48.1-105.9 121.6 -4.1 12.6 8.7 38 80 A G T 3 S- 0 0 69 -2,-0.5 37,-0.1 1,-0.3 -2,-0.0 -0.294 117.2 -29.3 54.2-127.5 -7.1 12.9 11.1 39 81 A S T 3 S+ 0 0 116 -2,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.137 106.1 125.9-105.1 19.0 -8.2 9.4 12.2 40 82 A Q S < S- 0 0 122 -3,-2.4 3,-0.1 1,-0.1 0, 0.0 -0.192 74.6 -79.6 -72.0 167.0 -7.1 7.8 9.0 41 83 A Q - 0 0 150 1,-0.1 -4,-0.3 -5,-0.1 -1,-0.1 -0.486 53.2-106.9 -68.6 136.0 -4.7 4.8 9.0 42 84 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.323 35.3-154.1 -60.9 143.3 -1.0 5.8 9.4 43 85 A Q E -F 35 0B 120 -8,-2.6 -8,-2.5 -3,-0.1 2,-0.1 -0.968 18.2-113.3-124.7 139.2 1.1 5.6 6.3 44 86 A E E -F 34 0B 116 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.439 41.0-111.0 -64.6 143.3 4.8 5.1 6.1 45 87 A L - 0 0 15 -12,-1.7 2,-0.3 -2,-0.1 -12,-0.1 -0.586 26.7-152.3 -80.8 141.6 6.6 8.1 4.7 46 88 A V - 0 0 96 -2,-0.3 6,-0.0 1,-0.1 -1,-0.0 -0.789 23.0-117.8-109.5 158.7 8.2 8.0 1.2 47 89 A S >> - 0 0 62 -2,-0.3 5,-2.5 4,-0.1 4,-0.8 0.781 24.7-151.2 -68.2 -32.8 11.2 10.1 0.2 48 90 A E T >45S- 0 0 65 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.951 76.3 -49.7 51.7 51.3 9.5 12.1 -2.6 49 91 A E T 345S- 0 0 204 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.805 113.8 -44.5 61.3 34.5 12.9 12.4 -4.4 50 92 A G T 345S+ 0 0 31 2,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.424 111.0 113.0 94.7 0.9 14.7 13.6 -1.3 51 93 A R T <<5S+ 0 0 28 -3,-1.1 15,-3.0 -4,-0.8 2,-0.5 0.820 84.8 37.7 -72.8 -32.5 12.1 16.1 -0.0 52 94 A I E -C 60 0A 123 3,-3.5 3,-1.6 -2,-0.5 2,-0.8 -0.794 65.7 -72.0-115.5 77.3 22.1 10.3 14.4 58 100 A G T 3 S- 0 0 52 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.555 118.3 -5.9 70.4-107.4 23.3 7.6 16.9 59 101 A S T 3 S+ 0 0 97 -2,-0.8 -34,-0.5 -3,-0.1 2,-0.4 0.592 123.0 82.8 -96.7 -10.5 20.3 6.8 19.1 60 102 A V E < - C 0 57A 45 -3,-1.6 -3,-3.5 -36,-0.1 2,-0.5 -0.780 65.1-150.1-102.4 136.2 18.1 9.5 17.6 61 103 A Y E -BC 23 56A 32 -38,-3.0 -38,-2.2 -2,-0.4 2,-0.4 -0.892 17.7-160.1-105.3 127.4 16.0 9.1 14.4 62 104 A T E -BC 22 55A 11 -7,-2.9 -7,-2.7 -2,-0.5 2,-0.5 -0.904 11.3-159.9-117.4 136.8 15.5 12.3 12.5 63 105 A L E -BC 21 54A 0 -42,-2.6 -42,-2.4 -2,-0.4 2,-0.5 -0.957 9.4-166.1-110.9 126.4 12.9 13.3 9.9 64 106 A T E -BC 20 53A 9 -11,-2.9 -11,-2.5 -2,-0.5 2,-0.5 -0.971 3.1-171.6-113.7 123.1 13.6 16.2 7.7 65 107 A I E -BC 19 52A 0 -46,-2.8 -46,-2.3 -2,-0.5 3,-0.3 -0.970 10.1-169.7-113.5 117.5 10.8 17.7 5.6 66 108 A Q + 0 0 90 -15,-3.0 -48,-0.2 -2,-0.5 -49,-0.1 -0.683 63.4 17.4-101.9 160.7 11.9 20.3 3.1 67 109 A N S S- 0 0 91 -51,-0.5 -1,-0.2 -2,-0.2 -49,-0.2 0.926 88.1-146.3 46.5 56.4 9.8 22.6 1.0 68 110 A I + 0 0 1 -51,-2.5 -52,-3.2 -3,-0.3 2,-0.2 -0.209 27.3 167.8 -59.6 136.2 6.8 22.1 3.2 69 111 A Q > - 0 0 71 -54,-0.2 3,-2.3 -3,-0.1 4,-0.3 -0.833 50.4 -73.4-141.8-176.2 3.3 22.2 1.6 70 112 A Y G > S+ 0 0 189 1,-0.3 3,-1.7 -2,-0.2 23,-0.1 0.818 121.1 60.7 -54.0 -39.0 -0.3 21.4 2.2 71 113 A E G 3 S+ 0 0 63 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.674 93.3 68.7 -66.7 -11.3 0.1 17.6 2.1 72 114 A D G < S+ 0 0 0 -3,-2.3 -1,-0.3 2,-0.0 -2,-0.2 0.597 70.5 112.4 -85.1 -14.6 2.5 17.7 5.0 73 115 A N < + 0 0 37 -3,-1.7 2,-0.3 -4,-0.3 19,-0.2 -0.382 53.8 74.5 -52.5 133.4 -0.2 18.7 7.5 74 116 A G E S- G 0 91B 14 17,-1.8 17,-2.8 -37,-0.1 2,-0.5 -0.928 83.1 -59.2 152.5-173.4 -0.8 15.9 9.9 75 117 A I E -EG 36 90B 55 -39,-2.9 -39,-2.5 -2,-0.3 2,-0.4 -0.916 44.1-157.6-105.6 128.7 0.5 14.0 12.9 76 118 A Y E +EG 35 89B 0 13,-3.4 13,-2.5 -2,-0.5 2,-0.3 -0.868 16.5 168.5-109.5 137.6 3.9 12.3 12.7 77 119 A F E -E 34 0B 11 -43,-2.3 -43,-2.9 -2,-0.4 2,-0.4 -0.991 27.8-128.1-147.8 152.8 5.1 9.4 14.8 78 120 A b E -E 33 0B 3 -2,-0.3 2,-0.3 9,-0.2 -45,-0.2 -0.804 24.1-177.5 -95.9 143.0 7.8 6.8 15.0 79 121 A K E -E 32 0B 94 -47,-2.2 -47,-2.3 -2,-0.4 2,-0.1 -0.946 42.2 -84.5-133.2 154.9 7.2 3.1 15.3 80 122 A Q E -E 31 0B 42 -2,-0.3 -49,-0.2 -49,-0.2 3,-0.2 -0.406 37.2-139.1 -56.8 129.4 9.6 0.2 15.7 81 123 A K S S+ 0 0 141 -51,-2.9 2,-0.5 1,-0.3 -1,-0.1 0.940 92.2 19.8 -60.0 -53.2 10.7 -0.8 12.2 82 124 A C S S- 0 0 108 -52,-0.4 2,-0.5 -3,-0.0 -1,-0.3 -0.992 80.8-174.2-119.3 124.1 10.5 -4.5 12.8 83 125 A D 0 0 132 -2,-0.5 -54,-0.0 -3,-0.2 -4,-0.0 -0.972 360.0 360.0-130.1 117.2 8.4 -5.5 15.8 84 126 A S 0 0 164 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.0 0.652 360.0 360.0 -40.8 360.0 8.0 -9.0 17.2 85 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 86 134 A S 0 0 129 0, 0.0 2,-0.2 0, 0.0 -81,-0.1 0.000 360.0 360.0 360.0 115.9 1.7 6.6 21.6 87 135 A a - 0 0 11 -83,-0.4 2,-0.3 -9,-0.1 -9,-0.2 -0.588 360.0-164.8 -95.7 160.8 2.6 10.3 21.4 88 136 A G - 0 0 18 -2,-0.2 2,-0.5 -11,-0.1 -11,-0.2 -0.859 21.1-121.1-138.0 175.2 2.9 12.3 18.1 89 137 A T E - G 0 76B 0 -13,-2.5 -13,-3.4 -2,-0.3 2,-0.5 -0.987 26.2-147.8-123.3 119.1 4.2 15.4 16.6 90 138 A E E -dG 10 75B 88 -81,-2.5 -79,-2.5 -2,-0.5 2,-0.5 -0.769 7.5-162.2 -90.8 132.5 1.7 17.7 14.9 91 139 A L E -dG 11 74B 2 -17,-2.8 -17,-1.8 -2,-0.5 2,-0.5 -0.957 4.9-172.1-112.9 123.5 2.8 19.8 11.9 92 140 A L E -d 12 0B 69 -81,-2.7 -79,-2.1 -2,-0.5 2,-0.6 -0.976 14.5-146.0-111.9 124.9 0.6 22.7 10.9 93 141 A V E d 13 0B 18 -2,-0.5 -79,-0.2 -81,-0.2 -81,-0.1 -0.798 360.0 360.0 -96.0 118.7 1.4 24.4 7.6 94 142 A L 0 0 108 -81,-3.0 -79,-1.6 -2,-0.6 -82,-0.0 -0.762 360.0 360.0 -88.3 360.0 0.8 28.2 7.7