==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 29-JUL-10 2XMQ . COMPND 2 MOLECULE: PROTEIN NDRG2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.HWANG,Y.KIM,H.LEE,M.H.KIM . 843 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 3 0.4 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 . 2 0.2 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 . 42 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 6 4 4 3 3 3 3 5 5 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 4 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 24 A A 0 0 105 0, 0.0 2,-0.7 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 58.3 15.4 -15.2 8.9 2 25 A K E -A 17 0A 138 15,-1.1 15,-2.0 0, 0.0 2,-0.2 -0.774 360.0-153.3 -88.7 112.6 17.0 -14.8 12.4 3 26 A T E +A 16 0A 89 -2,-0.7 2,-0.3 13,-0.2 13,-0.2 -0.560 20.1 176.3 -75.7 139.3 15.6 -16.9 15.4 4 27 A H E -A 15 0A 28 11,-2.6 11,-1.8 -2,-0.2 2,-0.3 -0.852 17.0-155.6-140.1 174.1 16.1 -15.5 18.9 5 28 A S E -A 14 0A 58 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.979 11.0-169.6-154.7 133.6 15.1 -16.4 22.4 6 29 A V E -A 13 0A 14 7,-2.4 7,-2.2 -2,-0.3 2,-0.3 -0.983 19.1-121.3-133.8 158.2 14.7 -14.2 25.6 7 30 A E E +A 12 0A 99 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.632 30.7 169.0 -96.7 146.1 14.2 -14.6 29.2 8 31 A T E > -A 11 0A 18 3,-1.0 3,-2.0 -2,-0.3 82,-0.1 -0.903 54.0 -89.7-144.2 169.2 11.3 -13.2 31.1 9 32 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 81,-0.1 0.595 125.5 50.5 -59.6 -8.6 10.0 -13.7 34.6 10 33 A Y T 3 S- 0 0 73 1,-0.6 2,-0.2 76,-0.1 80,-0.1 -0.005 123.5 -83.8-127.9 30.7 7.9 -16.6 33.3 11 34 A G E < S-A 8 0A 27 -3,-2.0 -3,-1.0 70,-0.1 -1,-0.6 -0.525 70.8 -40.4 102.7-165.0 10.5 -18.6 31.4 12 35 A S E -A 7 0A 49 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.647 41.8-157.6-109.5 157.5 11.7 -18.0 28.0 13 36 A V E -A 6 0A 2 -7,-2.2 -7,-2.4 -2,-0.3 2,-0.3 -0.985 10.1-147.1-129.3 140.7 10.0 -17.1 24.7 14 37 A T E +AB 5 64A 19 50,-0.8 50,-2.3 -2,-0.4 2,-0.3 -0.807 20.5 170.6-107.0 143.5 11.2 -17.6 21.2 15 38 A F E -AB 4 63A 0 -11,-1.8 -11,-2.6 -2,-0.3 2,-0.4 -0.986 23.2-138.7-151.6 160.8 10.7 -15.4 18.2 16 39 A T E -AB 3 62A 16 46,-1.8 46,-3.3 -2,-0.3 2,-0.4 -0.985 14.1-151.6-130.3 131.9 11.8 -14.9 14.6 17 40 A V E -AB 2 61A 21 -15,-2.0 -15,-1.1 -2,-0.4 2,-0.5 -0.831 10.9-170.5-107.7 130.1 12.6 -11.6 12.8 18 41 A Y E + B 0 60A 58 42,-2.7 42,-2.7 -2,-0.4 2,-0.1 -0.985 46.9 23.0-127.6 139.2 12.3 -10.9 9.1 19 42 A G S S- 0 0 40 -2,-0.5 40,-0.1 40,-0.2 3,-0.1 -0.160 84.0 -85.8 100.8 164.2 13.4 -8.0 7.1 20 43 A T - 0 0 108 1,-0.2 -2,-0.0 38,-0.1 0, 0.0 -0.736 67.9 -82.7-103.1 161.7 16.1 -5.5 7.7 21 44 A P - 0 0 77 0, 0.0 -1,-0.2 0, 0.0 37,-0.1 0.034 25.0-159.2 -73.5 173.1 14.7 -2.7 9.8 22 45 A K > - 0 0 58 3,-0.2 3,-1.5 -3,-0.1 37,-0.2 -0.840 12.0-163.6-133.2 102.6 12.9 0.3 9.0 23 46 A P T 3 S+ 0 0 128 0, 0.0 4,-0.1 0, 0.0 35,-0.0 0.712 85.3 55.8 -64.5 -18.6 13.6 2.5 12.0 24 47 A K T 3 S+ 0 0 83 2,-0.1 34,-0.0 -3,-0.0 360,-0.0 -0.043 100.0 67.3-106.2 29.7 10.6 4.8 11.1 25 48 A R S < S- 0 0 19 -3,-1.5 -3,-0.2 77,-0.1 77,-0.2 -0.994 85.1-110.4-137.9 145.9 7.9 2.1 11.0 26 49 A P - 0 0 0 0, 0.0 33,-0.5 0, 0.0 2,-0.4 -0.143 40.5-107.2 -61.1 169.5 6.4 0.0 13.8 27 50 A A E -c 103 0A 2 75,-2.2 77,-3.1 31,-0.1 2,-0.9 -0.830 22.6-125.3 -94.3 143.3 7.3 -3.7 13.7 28 51 A I E -cd 104 60A 0 31,-2.4 33,-2.7 -2,-0.4 2,-0.5 -0.804 33.7-172.7 -85.5 113.4 4.6 -6.1 12.7 29 52 A L E -cd 105 61A 0 75,-1.8 77,-2.4 -2,-0.9 2,-0.3 -0.910 3.1-162.7-109.3 123.6 4.5 -8.6 15.6 30 53 A T E -cd 106 62A 0 31,-2.0 33,-2.5 -2,-0.5 2,-0.4 -0.854 8.7-170.1-107.5 151.1 2.4 -11.7 15.3 31 54 A Y E -cd 107 63A 3 75,-2.3 77,-1.2 -2,-0.3 33,-0.1 -0.989 20.0-138.0-137.9 132.2 1.1 -14.0 18.0 32 55 A H - 0 0 1 31,-0.6 6,-0.1 -2,-0.4 79,-0.1 -0.246 14.3-100.8 -93.7 168.3 -0.6 -17.3 17.1 33 56 A D > - 0 0 0 77,-0.2 3,-1.6 4,-0.2 76,-0.1 -0.271 50.5 -75.1 -78.4 166.6 -3.6 -19.4 18.3 34 57 A V T 3 S+ 0 0 0 1,-0.2 -1,-0.1 162,-0.1 3,-0.1 -0.431 118.1 24.2 -61.6 129.1 -3.7 -22.4 20.6 35 58 A G T 3 S+ 0 0 2 1,-0.4 -1,-0.2 -2,-0.1 2,-0.2 0.166 116.1 72.0 102.4 -14.3 -2.5 -25.6 18.9 36 59 A L < - 0 0 6 -3,-1.6 -1,-0.4 157,-0.1 2,-0.3 -0.569 61.0-152.2-117.1-178.8 -0.4 -23.8 16.4 37 60 A N >> - 0 0 13 -2,-0.2 4,-2.1 -3,-0.1 3,-0.5 -0.839 48.7 -80.2-140.4-178.8 2.8 -21.8 16.2 38 61 A Y H >>>S+ 0 0 15 -2,-0.3 4,-2.5 1,-0.2 5,-1.8 0.943 128.1 55.9 -45.1 -51.7 3.9 -19.1 13.9 39 62 A K H 345S+ 0 0 98 1,-0.2 -1,-0.2 3,-0.2 4,-0.1 0.866 118.0 29.5 -56.7 -43.3 4.8 -21.6 11.2 40 63 A S H <45S+ 0 0 12 -3,-0.5 -1,-0.2 3,-0.1 -2,-0.2 0.546 127.5 43.0 -93.2 -9.9 1.3 -23.3 11.1 41 64 A C H <<5S+ 0 0 0 -4,-2.1 4,-0.2 -3,-0.5 -3,-0.2 0.846 131.6 6.3 -98.3 -42.9 -0.7 -20.2 12.0 42 65 A F T X5S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.4 5,-0.3 0.600 100.5 88.1-119.9 -21.3 0.8 -17.3 10.1 43 66 A Q H >> S+ 0 0 57 0, 0.0 4,-1.1 0, 0.0 3,-0.6 0.955 114.1 46.9 -50.5 -49.7 1.1 -19.2 4.7 45 68 A L H >4 S+ 0 0 4 1,-0.2 3,-1.2 -4,-0.2 6,-0.3 0.974 113.8 45.6 -54.3 -56.7 -0.3 -15.6 5.2 46 69 A F H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.683 114.3 48.6 -64.4 -13.3 3.1 -13.9 5.4 47 70 A Q H << S+ 0 0 115 -4,-1.8 -1,-0.2 -3,-0.6 -2,-0.2 0.532 79.8 116.3-103.3 -9.8 4.5 -15.8 2.4 48 71 A F S XX S- 0 0 68 -3,-1.2 4,-2.5 -4,-1.1 3,-1.0 -0.394 75.6-124.4 -50.2 129.5 1.6 -15.0 0.2 49 72 A E H 3> S+ 0 0 141 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.876 107.2 51.7 -58.1 -43.1 3.0 -13.0 -2.6 50 73 A D H 3> S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.859 111.4 48.5 -57.9 -30.2 0.7 -10.0 -2.2 51 74 A M H <> S+ 0 0 3 -3,-1.0 4,-2.1 -6,-0.3 -2,-0.2 0.893 106.4 56.7 -84.3 -35.1 1.4 -9.8 1.5 52 75 A Q H X S+ 0 0 65 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.959 104.1 54.8 -51.0 -50.1 5.1 -10.0 0.7 53 76 A E H >< S+ 0 0 129 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.894 112.4 41.8 -48.9 -54.0 4.6 -6.9 -1.4 54 77 A I H >< S+ 0 0 14 -4,-1.5 3,-0.7 1,-0.2 -1,-0.2 0.792 112.4 48.8 -69.4 -38.8 3.0 -4.9 1.4 55 78 A I H >< S+ 0 0 0 -4,-2.1 3,-2.5 1,-0.2 -1,-0.2 0.476 77.5 103.9 -89.7 -1.0 5.2 -5.8 4.3 56 79 A Q T << S+ 0 0 93 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.1 0.798 81.2 54.8 -43.7 -29.2 8.4 -5.1 2.3 57 80 A N T < S+ 0 0 74 -3,-0.7 2,-0.3 -4,-0.2 -1,-0.3 0.190 102.0 60.7 -94.8 12.7 8.6 -1.9 4.3 58 81 A F S < S- 0 0 7 -3,-2.5 2,-0.3 -37,-0.1 -31,-0.1 -0.925 75.9-118.1-137.0 155.4 8.4 -3.2 7.9 59 82 A V - 0 0 6 -33,-0.5 -31,-2.4 -2,-0.3 2,-0.4 -0.764 34.3-146.0 -83.7 146.3 10.4 -5.5 10.2 60 83 A R E -Bd 18 28A 13 -42,-2.7 -42,-2.7 -2,-0.3 2,-0.5 -0.962 13.9-167.4-119.6 132.6 8.4 -8.5 11.3 61 84 A V E -Bd 17 29A 0 -33,-2.7 -31,-2.0 -2,-0.4 2,-0.7 -0.949 6.6-166.0-117.8 108.8 8.6 -10.2 14.6 62 85 A H E -Bd 16 30A 2 -46,-3.3 -46,-1.8 -2,-0.5 2,-0.2 -0.835 10.6-157.5 -98.3 108.5 6.9 -13.6 14.7 63 86 A V E -Bd 15 31A 3 -33,-2.5 -31,-0.6 -2,-0.7 2,-0.5 -0.586 7.4-157.2 -92.2 143.7 6.4 -14.9 18.3 64 87 A D E -B 14 0A 14 -50,-2.3 -50,-0.8 -2,-0.2 5,-0.2 -0.986 30.3-117.1-111.2 125.4 5.9 -18.6 19.3 65 88 A A > - 0 0 0 -2,-0.5 3,-2.3 1,-0.1 4,-0.4 -0.259 52.1 -75.5 -55.2 151.1 4.2 -18.9 22.6 66 89 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -53,-0.1 -0.139 121.8 15.8 -49.6 136.8 6.5 -20.7 25.1 67 90 A G T 3 S+ 0 0 4 -55,-0.2 125,-0.2 -3,-0.1 126,-0.1 0.457 107.9 89.4 83.7 -5.1 6.8 -24.4 24.4 68 91 A M < + 0 0 2 -3,-2.3 3,-0.1 124,-0.1 -3,-0.1 0.604 55.5 110.2-105.8 -13.6 5.2 -24.0 20.9 69 92 A E S > S- 0 0 39 -4,-0.4 3,-2.0 -5,-0.2 -6,-0.0 -0.119 86.7 -77.2 -60.8 155.8 8.3 -23.5 18.7 70 93 A E T 3 S+ 0 0 130 1,-0.3 -1,-0.2 2,-0.0 -2,-0.1 -0.361 120.4 6.4 -48.5 125.2 9.5 -26.0 16.2 71 94 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.693 89.2 170.2 73.6 22.4 11.3 -28.7 18.3 72 95 A A < - 0 0 16 -3,-2.0 -1,-0.2 -5,-0.1 2,-0.1 -0.382 37.8-109.4 -68.2 142.1 10.4 -27.3 21.8 73 96 A P - 0 0 102 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.449 35.8-111.0 -62.2 137.6 11.2 -29.4 24.9 74 97 A V - 0 0 72 -2,-0.1 115,-0.1 1,-0.1 -7,-0.0 -0.560 35.2-117.2 -67.8 121.0 8.1 -30.8 26.6 75 98 A F - 0 0 46 -2,-0.5 3,-0.1 114,-0.1 -1,-0.1 -0.257 36.7 -97.7 -53.8 146.9 7.6 -29.1 29.9 76 99 A P > - 0 0 90 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.238 47.9 -80.6 -61.2 154.8 7.8 -31.3 33.0 77 100 A L T 3 S+ 0 0 187 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.326 121.0 21.8 -48.9 135.1 4.8 -32.7 34.8 78 101 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.499 87.8 159.5 70.8 8.5 3.2 -30.1 37.1 79 102 A Y < - 0 0 75 -3,-2.1 2,-0.9 1,-0.1 -1,-0.2 -0.253 39.8-131.7 -53.5 151.2 4.9 -27.3 35.1 80 103 A Q - 0 0 168 -3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.682 20.1-154.9-123.1 80.6 3.1 -24.1 35.6 81 104 A Y - 0 0 26 -2,-0.9 -70,-0.1 1,-0.1 111,-0.0 -0.179 26.2-100.9 -58.8 144.7 2.4 -22.4 32.3 82 105 A P - 0 0 3 0, 0.0 117,-0.1 0, 0.0 -1,-0.1 -0.308 36.0-118.8 -58.0 147.1 2.0 -18.6 32.2 83 106 A S > - 0 0 46 1,-0.1 4,-3.0 116,-0.1 5,-0.2 -0.300 35.8 -96.1 -75.9 167.9 -1.6 -17.2 32.0 84 107 A L H > S+ 0 0 2 115,-0.4 4,-2.0 1,-0.2 5,-0.2 0.922 129.2 53.4 -54.7 -40.4 -2.7 -15.2 29.0 85 108 A D H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.935 108.3 48.0 -57.4 -46.1 -1.8 -12.1 31.1 86 109 A Q H 4 S+ 0 0 67 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.913 107.6 55.0 -68.9 -37.5 1.6 -13.4 31.8 87 110 A L H >< S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.907 108.0 50.5 -57.5 -39.0 2.2 -14.1 28.2 88 111 A A H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.861 104.3 59.3 -66.8 -32.9 1.3 -10.5 27.4 89 112 A D T 3< S+ 0 0 63 -4,-2.1 4,-0.4 1,-0.3 -1,-0.3 0.578 94.1 64.8 -69.8 -11.5 3.7 -9.5 30.0 90 113 A M T <> S+ 0 0 3 -3,-1.3 4,-0.9 -4,-0.5 -1,-0.3 0.537 84.2 79.5 -86.9 -7.0 6.6 -11.2 28.1 91 114 A I H X> S+ 0 0 3 -3,-1.4 4,-2.6 -4,-0.2 3,-1.0 0.939 81.7 57.8 -74.0 -44.4 6.3 -8.9 25.2 92 115 A P H 3> S+ 0 0 24 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.943 103.9 57.1 -48.7 -44.7 8.1 -5.9 26.6 93 116 A C H 3> S+ 0 0 35 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.829 108.8 45.2 -49.0 -40.5 11.2 -8.3 27.0 94 117 A V H S+ 0 0 6 -4,-2.6 5,-1.8 1,-0.2 4,-1.0 0.943 114.5 48.9 -60.8 -48.5 10.7 -5.5 22.2 96 119 A Q H ><5S+ 0 0 146 -4,-3.6 3,-0.8 -5,-0.3 -1,-0.2 0.910 107.3 52.9 -53.6 -48.6 13.5 -4.5 24.6 97 120 A Y H 3<5S+ 0 0 113 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.861 118.6 37.5 -59.8 -31.5 15.8 -7.1 23.4 98 121 A L H 3<5S- 0 0 30 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.561 104.5-127.1 -93.2 -11.7 15.3 -5.9 19.9 99 122 A N T <<5 + 0 0 68 -4,-1.0 2,-0.3 -3,-0.8 -3,-0.2 0.755 58.2 144.0 60.5 27.2 15.0 -2.2 20.6 100 123 A F < - 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