==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/IMMUNE SYSTEM 27-MAY-10 3N85 . COMPND 2 MOLECULE: RECEPTOR TYROSINE-PROTEIN KINASE ERBB-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT . 1033 6 29 28 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 233 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 113 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 3 2 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 RESIDUES PER ALPHA HELIX . 8 8 4 3 3 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 . 14 8 11 3 5 8 1 0 1 1 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 2 5 3 4 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 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 T 0 0 120 0, 0.0 3,-0.0 0, 0.0 452,-0.0 0.000 360.0 360.0 360.0 152.9 70.5 29.8 -48.0 2 2 A Q + 0 0 112 29,-0.2 30,-3.7 30,-0.1 31,-2.6 0.643 360.0 73.9-106.3 -25.4 72.2 31.0 -51.2 3 3 A V E +a 33 0A 41 29,-0.2 2,-0.3 28,-0.2 31,-0.2 -0.853 60.1 169.9-101.2 126.5 75.8 31.5 -50.1 4 4 A a E -a 34 0A 21 29,-2.6 31,-3.2 -2,-0.5 24,-0.1 -0.917 33.0-104.2-134.3 158.6 78.0 28.5 -49.5 5 5 A T E -a 35 0A 61 -2,-0.3 31,-0.2 29,-0.2 2,-0.1 -0.340 31.0-137.8 -70.7 158.2 81.7 27.6 -48.8 6 6 A G - 0 0 3 29,-0.8 2,-0.3 28,-0.1 32,-0.2 -0.188 21.7-106.4 -92.0-164.5 83.9 26.0 -51.5 7 7 A T B -F 37 0B 3 30,-2.2 30,-0.6 -2,-0.1 397,-0.2 -0.737 15.4-158.1-113.9 174.4 86.3 23.2 -51.1 8 8 A D + 0 0 81 395,-1.7 395,-0.1 -2,-0.3 397,-0.1 -0.544 56.3 107.7-152.5 75.6 90.1 23.3 -51.0 9 9 A M > - 0 0 13 1,-0.1 3,-2.4 395,-0.1 395,-0.1 0.346 50.3-171.0-134.0 -4.1 91.5 19.9 -51.9 10 10 A K T 3 - 0 0 76 1,-0.3 -1,-0.1 -3,-0.0 55,-0.1 -0.134 69.1 -16.8 48.5-124.2 92.8 20.6 -55.4 11 11 A L T 3 S+ 0 0 61 2,-0.1 -1,-0.3 30,-0.0 2,-0.1 0.327 97.7 131.9 -97.5 9.4 93.8 17.4 -57.1 12 12 A R < - 0 0 130 -3,-2.4 3,-0.1 1,-0.1 29,-0.1 -0.373 63.8-112.3 -66.9 134.2 94.0 15.2 -54.0 13 13 A L - 0 0 119 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.523 47.7 -88.1 -69.9 128.2 92.2 11.9 -54.2 14 14 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.028 24.0-136.9 -42.5 135.8 89.1 11.7 -51.9 15 15 A A S S+ 0 0 55 1,-0.3 -2,-0.1 -3,-0.1 5,-0.0 0.783 100.4 13.1 -69.6 -33.6 89.6 10.6 -48.3 16 16 A S > - 0 0 7 1,-0.1 3,-0.6 2,-0.0 -1,-0.3 -0.833 68.3-171.2-140.0 106.3 86.4 8.4 -48.5 17 17 A P G >> S+ 0 0 92 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.763 81.5 70.1 -69.9 -23.8 85.2 8.0 -52.1 18 18 A E G 34 S+ 0 0 146 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.899 114.6 22.8 -54.7 -48.4 82.0 6.3 -50.8 19 19 A T G <> S+ 0 0 14 -3,-0.6 4,-1.0 1,-0.1 -1,-0.2 -0.077 94.3 103.2-116.1 31.3 80.7 9.5 -49.4 20 20 A H H <> S+ 0 0 9 -3,-1.0 4,-1.9 2,-0.2 -1,-0.1 0.900 84.0 45.3 -77.8 -44.6 82.6 12.0 -51.5 21 21 A L H X S+ 0 0 39 -4,-0.5 4,-3.1 1,-0.2 5,-0.1 0.865 108.9 57.2 -67.8 -37.3 79.7 12.9 -53.8 22 22 A D H > S+ 0 0 66 2,-0.2 4,-2.5 -4,-0.2 5,-0.3 0.876 104.5 53.5 -59.2 -39.3 77.4 13.2 -50.8 23 23 A M H X S+ 0 0 1 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.995 111.1 44.8 -54.6 -62.6 79.8 15.8 -49.4 24 24 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.886 112.9 52.6 -47.4 -47.9 79.5 17.8 -52.7 25 25 A R H X S+ 0 0 84 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.932 112.1 42.3 -57.8 -53.2 75.7 17.4 -52.7 26 26 A H H < S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.887 115.1 53.0 -60.7 -40.4 75.1 18.7 -49.2 27 27 A L H < S+ 0 0 24 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.895 122.4 25.1 -63.5 -43.8 77.6 21.5 -49.8 28 28 A Y H >< S+ 0 0 0 -4,-2.4 3,-1.8 -5,-0.2 26,-0.2 0.615 81.0 124.2-104.7 -15.3 76.1 22.8 -53.0 29 29 A Q T 3< S- 0 0 99 -4,-2.5 23,-0.1 -5,-0.3 3,-0.1 -0.290 97.5 -4.8 -49.9 110.6 72.4 21.8 -52.9 30 30 A G T 3 S+ 0 0 22 21,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.159 99.5 140.2 89.7 -18.6 70.6 25.2 -53.3 31 31 A a < + 0 0 3 -3,-1.8 -1,-0.3 20,-0.2 23,-0.2 -0.304 22.0 170.5 -61.8 139.3 73.8 27.2 -53.2 32 32 A Q + 0 0 66 -30,-3.7 24,-3.5 1,-0.3 25,-1.9 0.678 68.3 42.6-117.9 -43.6 74.0 30.2 -55.7 33 33 A V E S-ab 3 57A 22 -31,-2.6 -29,-2.6 23,-0.2 2,-0.9 -0.965 72.6-150.6-112.8 120.0 77.2 32.0 -54.7 34 34 A V E -ab 4 58A 0 23,-2.8 25,-2.5 -2,-0.5 2,-2.4 -0.830 3.4-154.8 -93.3 104.6 80.2 29.9 -53.8 35 35 A Q E S+a 5 0A 40 -31,-3.2 -29,-0.8 -2,-0.9 2,-0.3 -0.444 75.7 2.3 -74.3 65.4 82.3 31.8 -51.3 36 36 A G S S- 0 0 12 -2,-2.4 24,-2.6 -31,-0.2 2,-0.4 -0.993 111.7 -16.7 154.6-149.7 85.5 30.0 -52.4 37 37 A N B -F 7 0B 4 -30,-0.6 -30,-2.2 -2,-0.3 2,-0.9 -0.749 45.6-142.0 -96.1 133.8 86.6 27.5 -54.9 38 38 A L E -g 62 0C 0 23,-2.3 25,-3.0 -2,-0.4 2,-0.7 -0.833 25.7-178.1 -89.4 104.5 84.2 25.2 -56.9 39 39 A E E +g 63 0C 0 -2,-0.9 2,-0.8 23,-0.2 25,-0.2 -0.893 11.6 176.8-112.0 105.6 86.1 21.9 -57.1 40 40 A L E +g 64 0C 0 23,-2.1 25,-1.2 -2,-0.7 2,-0.3 -0.827 25.9 153.7-108.2 90.7 84.3 19.1 -59.0 41 41 A T E +g 65 0C 0 -2,-0.8 25,-0.2 23,-0.2 26,-0.1 -0.823 46.7 12.1-119.4 155.6 86.8 16.2 -59.0 42 42 A Y S S+ 0 0 66 23,-1.3 25,-0.2 -2,-0.3 -1,-0.2 0.818 70.8 169.1 54.2 45.0 86.7 12.4 -59.2 43 43 A L - 0 0 3 22,-0.2 25,-2.8 -3,-0.2 26,-1.5 -0.803 29.0-130.0 -95.4 121.7 83.1 12.1 -60.3 44 44 A P > - 0 0 66 0, 0.0 3,-0.8 0, 0.0 25,-0.1 -0.055 28.8 -98.4 -63.4 168.8 82.1 8.6 -61.5 45 45 A T T 3 S+ 0 0 68 1,-0.2 25,-0.5 24,-0.1 -2,-0.0 0.922 118.4 40.2 -61.7 -53.4 80.2 8.0 -64.7 46 46 A N T 3 S+ 0 0 140 23,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.512 83.6 149.0 -74.4 -4.7 76.6 7.7 -63.6 47 47 A A < - 0 0 15 -3,-0.8 2,-0.7 1,-0.1 -4,-0.0 0.036 45.1-137.1 -41.3 122.3 77.0 10.5 -61.0 48 48 A S + 0 0 75 1,-0.1 3,-0.2 2,-0.0 -1,-0.1 -0.759 31.4 167.5 -83.8 111.6 73.8 12.6 -60.4 49 49 A L > + 0 0 8 -2,-0.7 3,-2.0 1,-0.1 4,-0.2 0.119 31.7 121.6-117.5 21.6 74.9 16.2 -60.3 50 50 A S G > + 0 0 72 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.573 62.2 77.9 -63.1 -8.2 71.6 18.2 -60.5 51 51 A F G 3 S+ 0 0 5 1,-0.2 -21,-0.5 -3,-0.2 3,-0.4 0.591 84.8 62.2 -77.7 -10.4 72.5 19.9 -57.2 52 52 A L G X S+ 0 0 0 -3,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.616 74.0 99.0 -85.2 -13.0 74.9 22.2 -59.0 53 53 A Q T < S+ 0 0 103 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.436 78.2 52.4 -64.0 -3.3 72.1 23.7 -61.1 54 54 A D T 3 S+ 0 0 45 -3,-0.4 -1,-0.3 -23,-0.2 2,-0.2 0.536 73.7 120.5-107.4 -10.7 71.7 26.9 -58.9 55 55 A I < + 0 0 1 -3,-2.1 21,-0.2 1,-0.2 -23,-0.2 -0.392 25.8 160.0 -58.5 123.7 75.4 28.0 -58.8 56 56 A Q + 0 0 51 -24,-3.5 22,-3.2 1,-0.3 23,-0.9 0.582 59.2 24.3-118.3 -24.7 75.4 31.4 -60.3 57 57 A E E -bc 33 79A 24 -25,-1.9 -23,-2.8 20,-0.2 2,-0.4 -0.993 56.0-161.3-158.1 130.6 78.7 32.9 -59.1 58 58 A V E -bc 34 80A 0 21,-2.8 23,-3.0 -2,-0.3 24,-0.4 -0.979 3.7-167.1-124.2 128.1 82.1 31.7 -57.9 59 59 A Q S S+ 0 0 35 -25,-2.5 24,-2.7 -2,-0.4 25,-0.4 0.915 78.6 27.8 -75.8 -45.7 84.6 33.7 -55.9 60 60 A G S S- 0 0 1 -24,-2.6 22,-1.7 -26,-0.4 2,-0.3 0.610 110.3 -51.6 -87.2-123.7 87.7 31.6 -56.2 61 61 A Y - 0 0 2 21,-0.1 -23,-2.3 20,-0.1 2,-0.5 -0.741 39.1-126.7-114.9 167.5 88.5 29.3 -59.0 62 62 A V E -gh 38 92C 0 29,-2.5 31,-2.8 -2,-0.3 2,-0.6 -0.979 25.5-174.5-113.3 118.7 86.5 26.5 -60.8 63 63 A L E +gh 39 93C 0 -25,-3.0 -23,-2.1 -2,-0.5 2,-0.7 -0.916 8.5 176.5-120.4 105.6 88.4 23.2 -61.0 64 64 A I E +gh 40 94C 0 29,-2.4 31,-1.4 -2,-0.6 2,-0.3 -0.909 28.5 146.3-108.8 103.8 86.8 20.4 -63.0 65 65 A A E +gh 41 95C 0 -25,-1.2 -23,-1.3 -2,-0.7 -22,-0.2 -0.982 44.2 14.1-147.3 149.4 89.3 17.5 -63.0 66 66 A H S S+ 0 0 61 29,-1.9 2,-0.4 30,-0.6 31,-0.2 0.840 79.1 148.1 57.3 43.2 89.6 13.7 -62.9 67 67 A N - 0 0 0 28,-0.3 39,-0.4 -25,-0.2 31,-0.2 -0.841 41.9-170.5-109.9 144.3 86.0 13.0 -63.8 68 68 A Q + 0 0 60 -25,-2.8 37,-2.3 -2,-0.4 -1,-0.1 0.553 60.0 111.6 -99.1 -14.2 84.5 10.1 -65.8 69 69 A V - 0 0 8 -26,-1.5 -24,-0.1 35,-0.2 3,-0.1 -0.247 69.3-135.6 -58.6 145.5 81.1 11.9 -65.8 70 70 A R S S+ 0 0 81 -25,-0.5 37,-2.5 1,-0.2 38,-0.8 0.697 78.4 4.4 -84.6 -22.6 80.0 13.1 -69.3 71 71 A Q - 0 0 95 35,-0.2 -1,-0.2 36,-0.1 -22,-0.1 -0.956 53.5-145.0-159.6 147.2 78.8 16.6 -68.2 72 72 A V - 0 0 0 36,-0.4 2,-2.3 -2,-0.3 -22,-0.1 -0.965 29.0-131.7-107.9 122.2 78.6 18.8 -65.2 73 73 A P + 0 0 33 0, 0.0 3,-0.3 0, 0.0 37,-0.1 -0.372 53.7 141.7 -80.2 70.7 75.3 20.9 -65.3 74 74 A L > + 0 0 1 -2,-2.3 3,-1.5 35,-0.4 39,-0.3 -0.129 17.1 134.7 -98.7 37.8 76.8 24.3 -64.6 75 75 A Q T 3 + 0 0 40 1,-0.3 38,-0.2 36,-0.1 -1,-0.2 0.696 67.1 52.9 -62.7 -23.1 74.5 26.2 -67.0 76 76 A R T 3 S+ 0 0 140 -3,-0.3 2,-0.4 -21,-0.2 -1,-0.3 0.510 74.8 119.6 -94.7 -3.1 73.6 29.1 -64.6 77 77 A L < + 0 0 1 -3,-1.5 36,-0.3 1,-0.2 -20,-0.2 -0.491 30.3 167.8 -64.8 116.6 77.2 30.1 -63.7 78 78 A R + 0 0 78 -22,-3.2 37,-2.4 -2,-0.4 38,-1.0 0.766 56.8 17.5 -99.6 -34.2 77.7 33.7 -64.8 79 79 A I E -cd 57 116A 0 -23,-0.9 -21,-2.8 35,-0.2 2,-0.5 -0.992 45.4-164.5-151.0 128.5 80.9 34.8 -63.2 80 80 A V E -cd 58 117A 0 36,-2.2 38,-2.0 -2,-0.3 39,-0.3 -0.982 12.1-164.7-108.2 132.7 84.1 33.5 -61.6 81 81 A R - 0 0 17 -23,-3.0 -21,-0.2 -2,-0.5 -22,-0.2 0.785 17.9-143.7 -88.7 -30.8 86.0 36.2 -59.7 82 82 A G + 0 0 3 -22,-1.7 -22,-0.2 -24,-0.4 -21,-0.1 0.790 44.0 151.1 70.9 29.9 89.4 34.5 -59.3 83 83 A T S S+ 0 0 95 -24,-2.7 2,-0.4 -23,-0.2 -23,-0.2 0.798 81.8 30.4 -58.3 -30.4 90.1 35.9 -55.8 84 84 A Q S S- 0 0 107 -25,-0.4 2,-0.4 -48,-0.1 -1,-0.1 -0.977 86.6-151.0-124.3 146.2 92.0 32.6 -55.5 85 85 A L > - 0 0 39 -2,-0.4 3,-1.3 -24,-0.1 2,-0.3 -0.920 17.5-117.0-121.6 143.7 93.6 31.0 -58.5 86 86 A F B >> S-I 90 0C 6 4,-3.5 4,-3.0 -2,-0.4 3,-2.2 -0.607 104.8 -0.5 -74.8 135.4 94.4 27.4 -59.3 87 87 A E T 34 S- 0 0 106 -2,-0.3 -1,-0.3 1,-0.3 0, 0.0 0.745 124.9 -77.8 50.0 27.4 98.2 26.8 -59.6 88 88 A D T <4 S+ 0 0 136 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.515 131.6 57.9 65.0 10.3 98.4 30.6 -58.9 89 89 A N T <4 S+ 0 0 63 -3,-2.2 32,-2.6 1,-0.1 2,-0.4 0.582 84.3 77.3-135.3 -26.3 97.4 31.4 -62.5 90 90 A Y E < -Ij 86 121C 30 -4,-3.0 -4,-3.5 30,-0.2 32,-0.2 -0.816 35.2-179.5-114.9 137.6 94.1 29.8 -63.5 91 91 A A E S+ 0 0 0 30,-3.0 -29,-2.5 -2,-0.4 2,-0.4 0.679 89.1 32.3 -98.1 -26.8 90.5 30.8 -62.7 92 92 A L E S+hj 62 122C 2 29,-1.3 31,-2.6 -31,-0.2 2,-0.5 -0.977 70.4 178.5-132.9 118.3 89.1 27.9 -64.7 93 93 A A E +hj 63 123C 0 -31,-2.8 -29,-2.4 -2,-0.4 2,-0.6 -0.970 7.2 179.9-126.0 116.4 91.0 24.6 -64.8 94 94 A V E +hj 64 124C 0 29,-2.6 31,-2.2 -2,-0.5 2,-0.4 -0.914 23.5 169.6-116.6 100.6 89.6 21.6 -66.7 95 95 A L E -hj 65 125C 3 -31,-1.4 -29,-1.9 -2,-0.6 -28,-0.3 -0.921 44.8 -13.3-127.6 139.2 92.1 18.8 -66.3 96 96 A D + 0 0 48 29,-1.7 2,-0.7 -2,-0.4 -30,-0.6 0.884 63.1 167.8 46.4 63.3 92.3 15.0 -67.0 97 97 A N + 0 0 0 29,-0.7 32,-0.6 -31,-0.2 33,-0.2 -0.876 57.8 10.1-109.6 102.0 88.7 14.1 -67.6 98 98 A G S S- 0 0 9 -2,-0.7 7,-0.1 -31,-0.2 -32,-0.1 -0.087 100.0 -64.4 106.0 149.0 88.7 10.6 -69.1 99 99 A D 0 0 116 1,-0.1 -2,-0.1 5,-0.1 -3,-0.0 -0.263 360.0 360.0 -67.7 149.1 91.5 8.0 -69.4 100 100 A P 0 0 171 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.223 360.0 360.0 -70.5 360.0 94.6 8.5 -71.6 101 ! 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 0.0 102 111 A S 0 0 142 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.7 80.5 4.2 -73.7 103 112 A P - 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