==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-OCT-07 2JWA . COMPND 2 MOLECULE: RECEPTOR TYROSINE-PROTEIN KINASE ERBB-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.S.MINEEV,E.V.BOCHAROV,A.S.ARSENIEV . 88 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 2 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 41 A G 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.9 23.3 17.5 8.4 2 42 A C - 0 0 121 2,-0.1 2,-0.9 0, 0.0 0, 0.0 -0.564 360.0-175.9-129.8 68.4 19.7 17.8 7.4 3 43 A P + 0 0 123 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.533 30.2 130.1 -69.7 102.9 19.3 21.2 5.6 4 44 A A - 0 0 67 -2,-0.9 3,-0.1 51,-0.1 -2,-0.1 -0.918 42.3-167.4-159.7 129.5 15.6 21.5 4.9 5 45 A E - 0 0 179 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.047 56.6-106.0-106.0 29.7 13.0 24.3 5.5 6 46 A Q - 0 0 157 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.289 35.6-123.2 63.3 161.1 10.0 22.1 4.7 7 47 A R + 0 0 89 49,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.721 26.8 178.3-130.0-179.9 8.0 22.2 1.5 8 48 A A + 0 0 99 -2,-0.2 -1,-0.0 0, 0.0 -2,-0.0 0.132 34.0 139.9-176.1 34.5 4.4 22.8 0.4 9 49 A S - 0 0 26 1,-0.1 4,-0.4 4,-0.0 3,-0.3 -0.480 55.8-124.8 -88.7 160.6 4.3 22.7 -3.4 10 50 A P S >> S+ 0 0 98 0, 0.0 3,-2.0 0, 0.0 4,-1.2 0.898 107.3 63.7 -69.8 -42.6 1.6 21.1 -5.6 11 51 A L H 3> S+ 0 0 38 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.799 93.3 66.1 -52.7 -29.4 4.0 18.9 -7.5 12 52 A T H 3> S+ 0 0 7 -3,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.830 99.0 52.0 -62.8 -32.5 4.8 17.2 -4.2 13 53 A S H <> S+ 0 0 79 -3,-2.0 4,-3.2 -4,-0.4 5,-0.3 0.977 108.5 46.7 -68.3 -57.7 1.3 15.9 -4.2 14 54 A I H X S+ 0 0 118 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.895 117.8 44.8 -51.3 -44.6 1.3 14.3 -7.6 15 55 A I H X S+ 0 0 59 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.918 113.0 49.8 -67.1 -44.9 4.6 12.7 -6.9 16 56 A S H X S+ 0 0 11 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.896 111.9 49.0 -61.2 -41.7 3.6 11.6 -3.4 17 57 A A H X S+ 0 0 42 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.934 108.2 52.8 -63.9 -47.9 0.5 10.0 -4.8 18 58 A V H X S+ 0 0 82 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.906 109.1 50.5 -54.7 -45.0 2.3 8.2 -7.6 19 59 A V H X S+ 0 0 46 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.932 112.5 45.8 -60.1 -48.2 4.7 6.7 -5.1 20 60 A G H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.930 114.8 46.2 -61.8 -47.3 1.9 5.4 -2.8 21 61 A I H X S+ 0 0 101 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.814 112.1 53.6 -65.4 -30.5 -0.1 4.0 -5.7 22 62 A L H X S+ 0 0 104 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.920 108.6 47.1 -70.2 -45.2 3.0 2.4 -7.1 23 63 A L H X S+ 0 0 83 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.870 112.1 52.4 -64.3 -37.5 3.9 0.6 -3.8 24 64 A V H X S+ 0 0 55 -4,-2.0 4,-2.4 2,-0.2 3,-0.3 0.973 109.6 46.0 -62.8 -56.8 0.3 -0.6 -3.5 25 65 A V H X S+ 0 0 89 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.926 111.9 52.0 -52.1 -50.3 0.0 -2.2 -6.9 26 66 A V H X S+ 0 0 79 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.870 109.1 51.9 -55.5 -38.7 3.4 -3.8 -6.6 27 67 A L H X S+ 0 0 95 -4,-1.7 4,-2.9 -3,-0.3 5,-0.2 0.944 107.6 50.2 -64.4 -49.6 2.3 -5.3 -3.2 28 68 A G H X S+ 0 0 45 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.906 110.1 50.8 -55.9 -45.1 -0.9 -6.8 -4.7 29 69 A V H X S+ 0 0 81 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.935 113.3 44.8 -59.1 -48.9 1.0 -8.4 -7.5 30 70 A V H X S+ 0 0 70 -4,-2.0 4,-3.2 -5,-0.2 -2,-0.2 0.959 113.9 48.7 -60.6 -53.8 3.5 -10.0 -5.2 31 71 A F H X S+ 0 0 109 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.939 112.1 49.5 -52.1 -53.3 0.9 -11.2 -2.7 32 72 A G H X S+ 0 0 26 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.950 115.0 41.8 -51.9 -57.7 -1.3 -12.7 -5.4 33 73 A I H X S+ 0 0 98 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.884 114.2 54.7 -58.3 -40.5 1.5 -14.6 -7.0 34 74 A L H X S+ 0 0 80 -4,-3.2 4,-2.9 -5,-0.2 5,-0.3 0.968 109.9 43.5 -57.9 -57.3 2.9 -15.6 -3.6 35 75 A I H X S+ 0 0 72 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.816 113.2 55.9 -58.8 -31.0 -0.4 -17.1 -2.4 36 76 A K H < S+ 0 0 164 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.952 111.5 39.8 -66.9 -51.1 -0.7 -18.8 -5.8 37 77 A R H < S+ 0 0 217 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.924 116.7 49.9 -64.6 -45.9 2.6 -20.6 -5.6 38 78 A R H < S- 0 0 153 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.792 94.1-176.6 -63.5 -28.1 2.2 -21.4 -1.9 39 79 A Q < - 0 0 136 -4,-1.4 -2,-0.1 -5,-0.3 -1,-0.1 0.101 41.9 -20.6 54.2-175.7 -1.2 -22.8 -2.8 40 80 A Q S S+ 0 0 167 -4,-0.1 0, 0.0 2,-0.1 0, 0.0 0.034 116.1 49.3 -53.0 167.7 -3.5 -24.1 -0.0 41 81 A K - 0 0 170 1,-0.2 2,-0.4 2,-0.0 3,-0.1 0.980 59.8-179.3 60.3 85.8 -2.0 -25.2 3.3 42 82 A I + 0 0 92 1,-0.1 -1,-0.2 2,-0.1 -3,-0.1 -0.563 55.7 72.0-115.7 66.5 0.2 -22.3 4.4 43 83 A R 0 0 229 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 -0.272 360.0 360.0-177.1 78.6 1.6 -23.5 7.7 44 84 A K 0 0 234 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.531 360.0 360.0-138.4 360.0 4.2 -26.3 7.7 45 !* 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 46 141 B G 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.0 -4.5 26.0 -16.4 47 142 B C - 0 0 120 2,-0.1 2,-0.9 0, 0.0 0, 0.0 -0.563 360.0-175.9-129.8 68.4 -1.7 23.7 -15.1 48 143 B P + 0 0 123 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.533 30.0 130.4 -69.8 102.9 1.2 26.1 -14.2 49 144 B A - 0 0 68 -2,-0.9 3,-0.1 -39,-0.1 -2,-0.1 -0.917 41.8-167.9-159.5 129.2 4.1 23.7 -13.2 50 145 B E - 0 0 180 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.049 56.5-105.8-106.2 29.8 7.7 23.5 -14.2 51 146 B Q - 0 0 157 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.289 35.6-122.4 63.4 161.2 8.2 20.1 -12.5 52 147 B R + 0 0 91 -41,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.723 27.5 176.9-129.7 179.5 10.1 19.6 -9.3 53 148 B A + 0 0 99 -2,-0.2 -1,-0.0 0, 0.0 -2,-0.0 0.133 33.3 140.6-176.8 34.9 13.1 17.6 -7.9 54 149 B S - 0 0 24 1,-0.1 4,-0.4 4,-0.0 3,-0.3 -0.476 55.6-124.6 -88.3 160.6 13.6 18.6 -4.3 55 150 B P S >> S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 4,-1.2 0.894 107.2 64.3 -69.8 -42.0 14.6 16.2 -1.4 56 151 B L H 3> S+ 0 0 36 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.800 92.8 66.2 -52.6 -29.7 11.6 17.1 0.8 57 152 B T H 3> S+ 0 0 7 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.830 98.9 52.2 -62.2 -32.5 9.5 15.6 -2.0 58 153 B S H <> S+ 0 0 77 -3,-2.0 4,-3.2 -4,-0.4 5,-0.3 0.977 108.4 46.7 -68.2 -57.7 11.0 12.2 -1.2 59 154 B I H X S+ 0 0 116 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.896 117.8 44.8 -51.4 -44.7 10.3 12.2 2.5 60 155 B I H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.918 113.0 49.8 -67.1 -44.8 6.7 13.4 1.9 61 156 B S H X S+ 0 0 10 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.898 111.9 48.9 -61.1 -41.9 6.2 10.9 -1.0 62 157 B A H X S+ 0 0 43 -4,-3.2 4,-3.0 2,-0.2 5,-0.3 0.934 108.2 52.9 -64.0 -47.9 7.4 8.0 1.2 63 158 B V H X S+ 0 0 79 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.905 109.1 50.4 -54.6 -45.0 5.2 9.0 4.1 64 159 B V H X S+ 0 0 48 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.934 112.9 45.2 -60.2 -48.6 2.1 9.0 1.9 65 160 B G H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.930 115.7 45.5 -62.1 -47.3 2.9 5.6 0.4 66 161 B I H X S+ 0 0 101 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.811 112.4 53.9 -66.2 -30.2 3.7 4.0 3.8 67 162 B L H X S+ 0 0 105 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.921 108.4 47.1 -70.2 -45.3 0.6 5.6 5.3 68 163 B L H X S+ 0 0 85 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.872 112.1 52.4 -64.2 -37.8 -1.7 4.2 2.6 69 164 B V H X S+ 0 0 53 -4,-1.9 4,-2.3 2,-0.2 3,-0.3 0.972 109.7 46.0 -62.7 -56.8 -0.2 0.7 3.0 70 165 B V H X S+ 0 0 86 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.924 111.8 52.3 -52.2 -50.0 -0.6 0.6 6.8 71 166 B V H X S+ 0 0 80 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.869 108.8 52.0 -55.5 -38.7 -4.1 1.8 6.6 72 167 B L H X S+ 0 0 102 -4,-1.7 4,-2.8 -3,-0.3 5,-0.2 0.945 107.6 50.1 -64.3 -49.8 -4.9 -0.9 4.1 73 168 B G H X S+ 0 0 46 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.905 110.0 50.9 -55.8 -44.9 -3.5 -3.7 6.2 74 169 B V H X S+ 0 0 78 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.935 112.7 45.6 -59.2 -48.9 -5.5 -2.6 9.2 75 170 B V H X S+ 0 0 68 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.958 114.4 47.3 -59.7 -54.0 -8.8 -2.5 7.2 76 171 B F H X S+ 0 0 109 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.945 113.4 48.6 -53.4 -53.9 -8.2 -5.9 5.5 77 172 B G H X S+ 0 0 27 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.952 115.4 42.2 -52.2 -57.9 -7.3 -7.6 8.8 78 173 B I H X S+ 0 0 97 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.880 114.0 54.9 -57.9 -39.9 -10.3 -6.2 10.7 79 174 B L H X S+ 0 0 78 -4,-3.1 4,-2.9 -5,-0.3 5,-0.3 0.971 111.0 41.6 -58.1 -58.4 -12.5 -7.0 7.7 80 175 B I H X S+ 0 0 73 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.822 115.2 54.6 -59.7 -31.5 -11.5 -10.6 7.4 81 176 B K H < S+ 0 0 162 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.951 112.0 40.4 -67.6 -50.9 -11.7 -10.8 11.2 82 177 B R H < S+ 0 0 217 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.923 116.5 49.7 -64.2 -45.9 -15.3 -9.5 11.5 83 178 B R H < S- 0 0 155 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.798 93.9-177.2 -63.5 -28.6 -16.4 -11.5 8.4 84 179 B Q < - 0 0 134 -4,-1.3 -2,-0.1 -5,-0.3 -1,-0.1 0.101 42.0 -20.9 54.0-175.5 -14.9 -14.6 10.0 85 180 B Q S S+ 0 0 164 -4,-0.1 0, 0.0 2,-0.1 0, 0.0 0.032 116.0 49.3 -53.5 167.8 -14.9 -17.9 8.2 86 181 B K - 0 0 170 1,-0.2 2,-0.4 2,-0.0 3,-0.1 0.979 59.8-178.9 60.4 86.1 -17.4 -18.5 5.4 87 182 B I + 0 0 94 1,-0.1 -1,-0.2 2,-0.1 -3,-0.1 -0.563 55.9 72.1-115.6 66.5 -17.2 -15.5 3.1 88 183 B R 0 0 230 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 -0.273 360.0 360.0-176.9 78.6 -19.8 -16.3 0.4 89 184 B K 0 0 235 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.508 360.0 360.0-138.4 360.0 -23.5 -16.0 1.3