==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUN-12 4AX6 . COMPND 2 MOLECULE: EXOGLUCANASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI; . AUTHOR M.WU,W.NERINCKX,K.PIENS,T.ISHIDA,H.HANSSON,J.STAHLBERG,M.SAN . 726 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 40 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 2 0 0 2 0 4 2 0 0 0 5 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 6 4 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 2 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 85 A T 0 0 152 0, 0.0 128,-0.1 0, 0.0 126,-0.1 0.000 360.0 360.0 360.0 138.0 -21.5 13.3 3.5 2 86 A A + 0 0 19 124,-0.1 128,-0.1 126,-0.1 125,-0.1 0.840 360.0 78.5 -72.6 -37.3 -19.8 9.9 3.8 3 87 A T - 0 0 80 126,-0.1 2,-0.3 1,-0.0 170,-0.1 -0.240 64.7-175.0 -69.4 163.6 -21.1 8.4 0.6 4 88 A Y - 0 0 55 168,-0.5 2,-0.3 170,-0.1 170,-0.1 -0.961 25.1-143.9-154.6 165.8 -19.6 9.4 -2.8 5 89 A S S S- 0 0 116 -2,-0.3 2,-0.4 2,-0.2 -2,-0.0 -0.985 72.9 -15.3-139.0 130.6 -19.6 9.1 -6.6 6 90 A G S S+ 0 0 37 -2,-0.3 -2,-0.0 2,-0.0 207,-0.0 -0.656 124.1 28.0 82.4-133.8 -16.5 9.0 -8.7 7 91 A N > - 0 0 32 -2,-0.4 3,-1.1 1,-0.2 -2,-0.2 -0.511 64.8-158.9 -67.2 115.3 -13.2 10.0 -7.1 8 92 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.550 88.3 64.3 -74.1 -8.7 -13.5 9.2 -3.3 9 93 A F T > S+ 0 0 8 2,-0.1 3,-0.9 288,-0.1 2,-0.5 0.589 81.0 96.8 -88.4 -14.0 -10.7 11.6 -2.5 10 94 A V T < S+ 0 0 92 -3,-1.1 3,-0.1 1,-0.2 295,-0.0 -0.665 90.2 16.3 -79.8 124.0 -12.7 14.6 -3.8 11 95 A G T 3 S+ 0 0 54 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.392 114.8 77.6 97.6 -1.3 -14.5 16.5 -1.0 12 96 A V < - 0 0 19 -3,-0.9 -1,-0.3 67,-0.0 66,-0.2 -0.844 68.3-131.0-132.4 169.6 -12.5 15.0 1.9 13 97 A T E -a 78 0A 74 64,-1.6 66,-2.2 -2,-0.3 -3,-0.1 -0.992 31.0-115.6-125.0 124.5 -9.1 15.4 3.5 14 98 A P E -a 79 0A 29 0, 0.0 2,-0.4 0, 0.0 66,-0.2 -0.320 34.3-120.1 -60.4 137.3 -6.9 12.4 4.3 15 99 A W - 0 0 47 64,-1.9 2,-0.8 32,-0.1 33,-0.4 -0.664 9.5-145.0 -88.2 128.7 -6.4 11.8 8.1 16 100 A A - 0 0 32 -2,-0.4 33,-0.1 31,-0.2 28,-0.0 -0.841 30.9-138.5 -88.6 110.8 -2.9 11.8 9.6 17 101 A N > - 0 0 8 -2,-0.8 4,-1.2 31,-0.5 3,-0.1 -0.187 11.6-126.9 -75.2 161.9 -3.2 9.2 12.4 18 102 A A H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.619 101.4 69.9 -82.0 -15.3 -1.8 9.4 15.9 19 103 A Y H > S+ 0 0 81 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.923 106.8 35.8 -68.8 -47.8 -0.0 6.0 15.6 20 104 A Y H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.872 115.8 56.3 -70.9 -39.1 2.6 7.4 13.2 21 105 A A H X S+ 0 0 28 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.838 106.9 50.1 -62.0 -35.6 2.6 10.7 15.0 22 106 A S H X S+ 0 0 68 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.883 108.5 52.7 -67.8 -41.7 3.5 9.0 18.2 23 107 A E H X>S+ 0 0 20 -4,-1.4 4,-1.9 2,-0.2 5,-0.7 0.925 113.8 42.2 -58.2 -48.4 6.3 7.1 16.5 24 108 A V H X>S+ 0 0 0 -4,-2.3 5,-2.6 3,-0.2 4,-1.0 0.912 118.8 44.1 -66.9 -44.4 7.9 10.3 15.1 25 109 A S H <5S+ 0 0 60 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.815 125.4 29.8 -73.7 -32.0 7.4 12.3 18.3 26 110 A S H <5S+ 0 0 82 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.630 131.3 29.6-105.7 -18.0 8.6 9.6 20.8 27 111 A L H <5S+ 0 0 94 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.649 130.2 27.0-114.7 -24.5 11.1 7.6 18.9 28 112 A A T >< + 0 0 127 -2,-0.3 3,-1.0 4,-0.0 4,-0.3 -0.930 46.8 0.2-134.6 161.5 17.9 18.6 17.7 34 118 A G T 3> S- 0 0 57 -2,-0.3 4,-1.4 1,-0.2 3,-0.4 -0.321 123.4 -3.7 71.1-142.0 17.7 22.0 15.8 35 119 A A H 3> S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.793 134.8 55.4 -55.5 -33.9 16.5 22.3 12.3 36 120 A M H <> S+ 0 0 39 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.895 103.6 52.9 -68.3 -41.8 16.1 18.5 12.0 37 121 A A H > S+ 0 0 19 -3,-0.4 4,-1.2 -4,-0.3 -1,-0.2 0.822 112.2 45.6 -64.5 -33.9 13.8 18.2 15.1 38 122 A T H X S+ 0 0 112 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.868 111.1 52.2 -76.9 -39.1 11.4 20.8 13.7 39 123 A A H X S+ 0 0 4 -4,-1.9 4,-1.0 1,-0.2 3,-0.3 0.883 107.6 53.4 -61.6 -40.2 11.5 19.2 10.2 40 124 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.4 0.868 103.1 56.0 -63.8 -39.9 10.6 15.8 11.8 41 125 A A H < S+ 0 0 36 -4,-1.2 -1,-0.2 1,-0.2 4,-0.2 0.791 104.4 54.8 -62.6 -30.0 7.5 17.3 13.6 42 126 A A H >< S+ 0 0 43 -4,-1.0 3,-1.0 -3,-0.3 4,-0.4 0.792 100.0 60.0 -73.2 -30.3 6.2 18.5 10.2 43 127 A V H >< S+ 0 0 0 -4,-1.0 3,-1.3 -3,-0.4 -2,-0.2 0.847 94.9 62.7 -67.1 -34.7 6.4 15.0 8.8 44 128 A A T 3< S+ 0 0 12 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.617 97.3 59.9 -66.4 -12.8 4.0 13.7 11.4 45 129 A K T < S+ 0 0 159 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.678 81.7 98.8 -85.8 -22.2 1.4 16.0 9.9 46 130 A V S < S- 0 0 13 -3,-1.3 2,-0.2 -4,-0.4 -31,-0.1 -0.542 82.4-117.3 -71.9 123.2 1.5 14.4 6.5 47 131 A P + 0 0 25 0, 0.0 2,-0.3 0, 0.0 -31,-0.2 -0.417 42.3 168.8 -64.7 129.8 -1.4 11.9 6.1 48 132 A S - 0 0 3 -33,-0.4 -31,-0.5 -2,-0.2 262,-0.2 -0.923 37.2 -89.4-135.9 164.1 -0.3 8.2 5.6 49 133 A F - 0 0 2 260,-2.4 2,-0.5 -2,-0.3 33,-0.2 -0.489 31.1-133.4 -77.2 140.0 -2.1 4.9 5.6 50 134 A M E -b 82 0B 7 31,-2.7 33,-2.6 -2,-0.2 2,-0.5 -0.832 22.3-136.5 -92.0 127.6 -2.6 2.9 8.8 51 135 A W E -b 83 0B 36 -2,-0.5 2,-1.1 31,-0.2 3,-0.2 -0.733 10.3-158.1 -91.9 125.6 -1.7 -0.8 8.4 52 136 A L E +b 84 0B 0 31,-2.7 33,-1.1 -2,-0.5 -1,-0.1 -0.588 35.4 151.2 -95.4 68.6 -4.0 -3.5 9.8 53 137 A D + 0 0 41 -2,-1.1 47,-0.4 31,-0.1 2,-0.3 0.587 65.2 28.0 -80.2 -13.3 -1.2 -6.1 9.8 54 138 A T S > S- 0 0 42 -3,-0.2 3,-1.1 45,-0.1 4,-0.2 -0.933 79.7-117.4-137.7 164.5 -2.7 -8.0 12.8 55 139 A L G > S+ 0 0 46 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.783 114.1 67.9 -68.9 -27.3 -6.2 -8.5 14.3 56 140 A D G 3 S+ 0 0 135 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.543 91.5 63.5 -68.0 -7.9 -4.9 -6.7 17.4 57 141 A K G <> S+ 0 0 34 -3,-1.1 4,-1.4 1,-0.2 3,-0.3 0.607 80.8 79.6 -90.7 -15.3 -4.7 -3.5 15.2 58 142 A T H <> S+ 0 0 9 -3,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.798 88.5 54.6 -67.1 -30.6 -8.5 -3.4 14.6 59 143 A P H > S+ 0 0 62 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.830 109.0 50.6 -67.1 -29.3 -9.2 -1.7 18.0 60 144 A L H > S+ 0 0 40 -3,-0.3 4,-2.0 -4,-0.3 -2,-0.2 0.767 105.4 55.3 -74.9 -29.8 -6.6 0.9 16.9 61 145 A M H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.905 109.6 47.3 -63.1 -43.8 -8.5 1.3 13.6 62 146 A E H X S+ 0 0 66 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.855 110.4 52.0 -65.3 -39.0 -11.6 2.0 15.7 63 147 A Q H X S+ 0 0 116 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.872 109.8 49.3 -64.0 -40.4 -9.6 4.5 17.9 64 148 A T H X S+ 0 0 8 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.905 111.6 48.1 -65.8 -43.8 -8.4 6.3 14.7 65 149 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.762 106.7 58.1 -68.2 -26.4 -12.0 6.5 13.4 66 150 A A H X S+ 0 0 33 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.850 106.4 49.0 -67.9 -35.7 -13.0 7.8 16.8 67 151 A D H X S+ 0 0 71 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.822 109.9 51.5 -69.7 -35.0 -10.6 10.6 16.4 68 152 A I H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 10,-0.3 0.903 107.0 52.0 -70.5 -43.2 -12.0 11.3 12.9 69 153 A R H X S+ 0 0 81 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.892 111.9 47.3 -58.6 -43.0 -15.6 11.5 14.1 70 154 A T H X S+ 0 0 78 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.889 113.9 47.4 -65.1 -41.4 -14.5 14.0 16.8 71 155 A A H <>S+ 0 0 19 -4,-1.8 5,-1.9 1,-0.2 4,-0.4 0.853 108.6 54.8 -69.7 -36.7 -12.6 16.1 14.3 72 156 A N H <5S+ 0 0 39 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.821 110.5 44.4 -67.8 -33.8 -15.4 16.1 11.7 73 157 A K H <5S+ 0 0 166 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.682 103.6 64.4 -86.0 -19.5 -17.9 17.6 14.2 74 158 A N T <5S- 0 0 138 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.577 136.1 -80.4 -73.3 -11.3 -15.4 20.1 15.5 75 159 A G T 5S+ 0 0 68 -3,-0.4 -3,-0.2 -4,-0.4 -2,-0.1 0.003 96.6 110.5 138.5 -29.2 -15.5 21.6 11.9 76 160 A G < - 0 0 30 -5,-1.9 -1,-0.3 -6,-0.1 2,-0.1 0.089 54.2-144.2 -70.0-179.9 -13.2 19.4 9.8 77 161 A N + 0 0 77 -63,-0.0 -64,-1.6 2,-0.0 2,-0.3 -0.621 33.6 165.7-148.5 81.6 -13.9 16.9 7.0 78 162 A Y E -a 13 0A 80 -10,-0.3 51,-0.4 -66,-0.2 2,-0.3 -0.701 22.8-150.3-108.7 152.6 -11.5 13.9 7.3 79 163 A A E -a 14 0A 0 -66,-2.2 -64,-1.9 -2,-0.3 51,-0.2 -0.921 21.5-115.8-120.3 146.0 -11.4 10.5 5.7 80 164 A G E - c 0 130B 1 49,-2.4 51,-3.0 -2,-0.3 2,-0.4 -0.524 21.4-163.0 -79.2 144.7 -9.9 7.2 7.0 81 165 A Q E + c 0 131B 6 -2,-0.2 -31,-2.7 49,-0.2 2,-0.3 -0.948 21.3 158.2-131.8 111.5 -7.0 5.5 5.3 82 166 A F E -bc 50 132B 1 49,-2.4 51,-1.8 -2,-0.4 2,-0.5 -0.910 32.1-136.2-133.1 157.4 -6.2 1.9 6.2 83 167 A V E -bc 51 133B 0 -33,-2.6 -31,-2.7 -2,-0.3 2,-0.7 -0.968 11.6-145.2-115.3 127.6 -4.4 -1.1 4.7 84 168 A V E +bc 52 134B 0 49,-2.8 51,-2.7 -2,-0.5 -31,-0.1 -0.843 40.7 148.3 -87.9 112.6 -6.0 -4.6 4.8 85 169 A Y + 0 0 20 -33,-1.1 -2,-0.1 -2,-0.7 49,-0.0 -0.546 25.5 99.9-154.3 74.3 -2.9 -6.9 5.2 86 170 A D + 0 0 0 -2,-0.1 28,-0.1 13,-0.1 -1,-0.1 -0.054 43.6 160.7-151.2 37.3 -3.3 -10.1 7.2 87 171 A L > - 0 0 2 1,-0.1 3,-0.9 -3,-0.1 14,-0.3 -0.266 49.9 -99.1 -63.7 144.9 -3.7 -12.8 4.5 88 172 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.510 113.0 13.7 -67.1 138.2 -3.0 -16.5 5.4 89 173 A D T 3 S- 0 0 36 12,-2.4 3,-0.3 -2,-0.2 13,-0.1 0.942 99.5-163.5 51.8 53.1 0.5 -17.4 4.3 90 174 A R < + 0 0 15 -3,-0.9 9,-0.2 11,-0.6 -1,-0.1 -0.196 60.0 20.9 -60.9 151.7 1.2 -13.7 3.9 91 175 A D S > S+ 0 0 25 45,-0.3 3,-0.9 7,-0.1 -1,-0.2 0.931 72.6 178.5 56.0 57.0 4.3 -12.4 1.9 92 176 A a T 3 S+ 0 0 2 -3,-0.3 59,-0.4 1,-0.2 58,-0.3 0.673 70.5 52.0 -70.7 -20.8 4.7 -15.7 -0.0 93 177 A A T 3 S+ 0 0 39 57,-0.1 -1,-0.2 58,-0.1 2,-0.2 0.635 114.9 34.9 -90.1 -16.5 7.6 -14.6 -2.2 94 178 A A < - 0 0 13 -3,-0.9 234,-0.0 234,-0.0 232,-0.0 -0.582 66.7-134.5-125.6-174.0 9.8 -13.4 0.7 95 179 A L S > S+ 0 0 108 -2,-0.2 3,-0.6 231,-0.1 233,-0.1 0.468 85.3 80.3-119.9 -8.9 10.6 -14.3 4.3 96 180 A A T 3 S+ 0 0 0 1,-0.2 247,-0.4 222,-0.1 223,-0.2 0.820 96.9 34.5 -74.2 -35.6 10.6 -10.8 5.9 97 181 A S T 3 S+ 0 0 25 -6,-0.2 -1,-0.2 221,-0.1 2,-0.1 -0.154 70.7 155.6-121.0 38.8 6.8 -10.1 6.4 98 182 A N < - 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