==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 18-SEP-08 3EJA . COMPND 2 MOLECULE: PROTEIN GH61E; . SOURCE 2 ORGANISM_SCIENTIFIC: THIELAVIA TERRESTRIS; . AUTHOR R.SALBO,D.WELNER,L.LO LEGGIO,P.HARRIS,K.MCFARLAND . 832 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 188 22.6 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 81 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 3.0 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+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 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 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 0 PARALLEL BRIDGES PER LADDER . 12 4 4 4 2 2 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 4 0 0 0 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 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 H 0 0 76 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 101.3 141.2 33.8 94.2 2 2 A Y - 0 0 0 23,-0.6 2,-0.2 24,-0.3 19,-0.1 -0.989 360.0-137.3-154.2 150.6 137.8 32.4 95.0 3 3 A T E -A 63 0A 9 60,-2.3 60,-2.6 -2,-0.3 152,-0.1 -0.597 13.9-138.4 -98.3 166.8 134.5 33.4 96.3 4 4 A W E + 0 0 1 150,-0.3 58,-0.2 58,-0.2 132,-0.1 -0.726 45.3 154.2-116.8 75.0 132.2 31.7 98.9 5 5 A P E + 0 0 0 0, 0.0 8,-3.2 0, 0.0 9,-0.4 0.653 45.7 37.0 -86.4 -16.8 129.0 32.4 96.9 6 6 A R E -A 61 0A 58 55,-0.8 55,-3.0 6,-0.2 2,-0.3 -0.963 49.2-155.0-143.3 150.4 126.5 29.7 97.9 7 7 A V E > -A 60 0A 0 -2,-0.3 3,-2.3 4,-0.3 53,-0.2 -0.954 68.3 -35.3-122.8 147.4 125.1 27.4 100.6 8 8 A N T 3 S- 0 0 47 51,-2.7 50,-0.0 -2,-0.3 -2,-0.0 -0.132 124.2 -21.3 42.1-123.4 123.4 24.0 99.9 9 9 A D T 3 S+ 0 0 150 -3,-0.0 -1,-0.3 2,-0.0 2,-0.0 0.263 106.7 119.8 -98.0 10.4 121.3 24.2 96.7 10 10 A G < - 0 0 6 -3,-2.3 3,-0.1 1,-0.1 2,-0.1 -0.234 62.9-109.1 -76.1 164.2 121.0 28.0 96.6 11 11 A A > - 0 0 55 1,-0.2 3,-1.9 -5,-0.1 4,-0.5 -0.320 55.6 -59.8 -85.1 171.6 122.2 30.3 93.9 12 12 A D T 3 S- 0 0 89 1,-0.3 -6,-0.2 2,-0.1 -1,-0.2 -0.318 121.5 -8.5 -54.7 123.7 125.1 32.8 94.0 13 13 A W T 3 S+ 0 0 26 -8,-3.2 -1,-0.3 4,-0.1 5,-0.2 0.735 99.2 121.0 59.5 28.7 124.5 35.3 96.9 14 14 A Q S < S+ 0 0 77 -3,-1.9 34,-2.1 -9,-0.4 -2,-0.1 0.939 95.9 5.8 -84.6 -54.3 120.9 34.1 97.5 15 15 A Q S S+ 0 0 18 -4,-0.5 143,-3.0 -10,-0.2 2,-0.5 0.321 126.1 81.1-103.4 0.6 121.3 33.0 101.1 16 16 A V B S-C 157 0B 0 -11,-0.3 141,-0.3 -5,-0.3 2,-0.1 -0.931 88.8-115.8-110.4 126.9 124.8 34.5 101.2 17 17 A R - 0 0 3 139,-2.7 139,-0.5 -2,-0.5 2,-0.4 -0.408 45.1 -98.8 -60.6 132.0 125.4 38.2 101.7 18 18 A K - 0 0 97 -5,-0.2 -1,-0.1 27,-0.2 26,-0.1 -0.364 41.4-139.4 -63.5 109.8 127.1 39.5 98.5 19 19 A A > - 0 0 0 -2,-0.4 3,-1.7 1,-0.1 21,-0.2 -0.360 16.5-118.8 -70.3 150.5 130.8 39.7 99.2 20 20 A D T 3 S+ 0 0 22 19,-3.2 3,-0.4 1,-0.3 4,-0.2 0.681 114.0 59.4 -62.2 -19.2 132.8 42.7 98.0 21 21 A N T 3> + 0 0 0 18,-0.2 4,-2.3 133,-0.2 -1,-0.3 0.150 66.6 119.2 -93.4 19.0 134.9 40.2 95.9 22 22 A W T <4 S+ 0 0 95 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.764 85.8 30.1 -60.0 -24.8 131.9 38.9 93.9 23 23 A Q T 4 S+ 0 0 62 -3,-0.4 -1,-0.2 388,-0.1 390,-0.2 0.814 130.1 32.0 -98.0 -38.8 133.4 40.1 90.6 24 24 A D T 4 S- 0 0 57 -4,-0.2 -2,-0.2 388,-0.1 -3,-0.1 0.448 86.7-134.1-104.8 -3.5 137.2 39.9 91.2 25 25 A N < + 0 0 47 -4,-2.3 -23,-0.6 1,-0.1 -3,-0.1 0.701 54.4 155.0 51.8 24.0 137.5 36.9 93.5 26 26 A G - 0 0 10 -25,-0.2 -24,-0.3 -6,-0.1 2,-0.3 0.175 32.3-122.6 -66.6-170.1 139.9 39.1 95.6 27 27 A Y - 0 0 100 126,-0.1 2,-0.5 -26,-0.1 126,-0.2 -0.858 12.2-108.9-137.7 163.9 140.8 38.9 99.3 28 28 A V B +D 152 0B 3 124,-2.6 124,-2.8 -2,-0.3 3,-0.1 -0.868 31.7 171.7 -92.1 128.6 140.8 40.7 102.6 29 29 A G + 0 0 29 -2,-0.5 2,-0.7 122,-0.2 121,-0.1 0.515 58.4 75.6-109.7 -12.0 144.4 41.5 103.8 30 30 A D > - 0 0 55 1,-0.1 3,-1.7 122,-0.1 6,-0.3 -0.894 56.9-167.1-110.1 106.7 143.7 43.7 106.8 31 31 A V T 3 S+ 0 0 10 -2,-0.7 146,-0.5 1,-0.3 148,-0.3 0.619 90.4 57.0 -69.6 -10.9 142.5 41.8 109.9 32 32 A T T 3 S+ 0 0 73 144,-0.1 -1,-0.3 143,-0.1 580,-0.1 0.455 87.4 103.4 -95.4 -4.3 141.5 45.1 111.5 33 33 A S S X S- 0 0 21 -3,-1.7 3,-1.8 1,-0.1 4,-0.3 -0.489 81.1-122.7 -79.8 147.3 139.1 46.0 108.6 34 34 A P T >> S+ 0 0 40 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.806 110.1 70.1 -53.0 -31.4 135.3 45.7 108.8 35 35 A Q H 3> S+ 0 0 26 1,-0.3 4,-2.2 4,-0.2 -7,-0.1 0.700 78.3 77.7 -60.0 -22.0 135.6 43.4 105.7 36 36 A I H <4 S+ 0 0 0 -3,-1.8 -1,-0.3 -6,-0.3 -5,-0.1 0.755 93.6 52.5 -63.0 -22.1 137.3 40.7 107.9 37 37 A R H <4 S- 0 0 32 -3,-1.5 118,-0.2 -4,-0.3 -2,-0.2 0.990 138.6 -16.9 -75.3 -67.8 133.8 39.8 109.3 38 38 A a H < S- 0 0 8 -4,-0.6 118,-0.4 2,-0.2 -2,-0.2 0.134 89.3-105.1-130.6 17.5 131.6 39.2 106.2 39 39 A F S < S+ 0 0 3 -4,-2.2 -19,-3.2 -5,-0.2 2,-0.4 0.865 83.7 122.0 56.9 39.8 133.7 40.8 103.3 40 40 A Q - 0 0 14 -6,-0.3 -2,-0.2 -21,-0.2 -1,-0.2 -0.929 48.4-166.7-133.2 111.3 131.3 43.7 103.2 41 41 A A S S+ 0 0 44 -2,-0.4 -1,-0.1 1,-0.3 351,-0.1 0.874 96.7 29.5 -58.9 -37.9 132.5 47.3 103.7 42 42 A T S S- 0 0 40 349,-0.3 -1,-0.3 -3,-0.1 349,-0.0 -0.972 100.0-119.7-122.0 117.5 128.8 48.2 104.0 43 43 A P + 0 0 60 0, 0.0 46,-0.1 0, 0.0 -2,-0.0 -0.234 36.9 173.6 -57.1 137.8 126.6 45.4 105.4 44 44 A S - 0 0 42 -26,-0.1 -26,-0.2 45,-0.0 43,-0.1 -0.958 27.1-121.0-149.7 125.1 123.8 44.3 103.0 45 45 A P - 0 0 61 0, 0.0 -27,-0.2 0, 0.0 41,-0.1 -0.209 21.6-114.2 -70.5 155.9 121.5 41.4 103.6 46 46 A A - 0 0 2 -31,-0.2 -32,-0.1 2,-0.2 -29,-0.1 -0.619 27.1-122.1 -77.1 146.9 121.0 38.3 101.4 47 47 A P S S+ 0 0 113 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 0.667 89.9 37.4 -65.0 -17.6 117.5 38.2 99.8 48 48 A S - 0 0 38 -34,-2.1 2,-0.4 -35,-0.1 110,-0.3 -0.848 68.4-136.9-134.4 166.9 116.9 34.7 101.3 49 49 A V - 0 0 36 -2,-0.3 2,-0.6 108,-0.1 110,-0.2 -0.981 20.1-130.4-125.2 136.7 117.5 32.7 104.4 50 50 A L E -e 159 0B 15 108,-3.1 110,-2.5 -2,-0.4 2,-0.4 -0.792 19.0-144.3 -88.8 118.4 118.5 29.0 104.6 51 51 A N E +e 160 0B 124 -2,-0.6 2,-0.3 108,-0.2 110,-0.2 -0.676 34.6 151.6 -79.0 130.4 116.4 26.8 106.9 52 52 A T E -e 161 0B 16 108,-2.7 110,-1.7 -2,-0.4 2,-0.3 -0.971 37.5-118.0-152.8 162.5 118.3 24.1 108.7 53 53 A T E > -e 162 0B 74 -2,-0.3 3,-2.0 108,-0.2 110,-0.2 -0.791 35.8 -98.7-105.9 150.9 118.1 22.2 111.9 54 54 A A T 3 S+ 0 0 14 108,-2.9 3,-0.1 -2,-0.3 75,-0.0 -0.474 114.4 30.8 -61.2 131.1 120.6 22.1 114.8 55 55 A G T 3 S+ 0 0 48 68,-1.7 -1,-0.3 1,-0.4 2,-0.1 0.255 98.8 111.3 98.1 -11.4 122.7 18.9 114.3 56 56 A S < - 0 0 30 -3,-2.0 67,-2.8 68,-0.2 2,-0.5 -0.334 68.7-111.8 -86.7 173.7 122.4 19.0 110.5 57 57 A T E - B 0 122A 81 65,-0.2 2,-0.5 -3,-0.1 -4,-0.1 -0.923 20.3-157.3-109.0 130.3 125.2 19.8 107.9 58 58 A V E - B 0 121A 0 63,-2.6 63,-2.7 -2,-0.5 2,-0.6 -0.911 15.0-137.8-101.4 133.8 125.2 22.9 105.8 59 59 A T E - B 0 120A 38 -2,-0.5 -51,-2.7 61,-0.2 2,-0.5 -0.831 16.3-164.6 -90.8 120.1 127.2 22.7 102.5 60 60 A Y E -AB 7 119A 0 59,-2.7 59,-2.0 -2,-0.6 2,-0.4 -0.928 11.1-148.5-104.9 129.0 129.2 25.9 101.9 61 61 A W E -AB 6 118A 69 -55,-3.0 -55,-0.8 -2,-0.5 2,-0.3 -0.805 8.1-160.1-102.8 135.7 130.5 26.2 98.3 62 62 A A E - 0 0 0 55,-2.8 -58,-0.2 -2,-0.4 4,-0.1 -0.859 28.5-109.2-105.7 149.6 133.7 27.9 97.2 63 63 A N E S-A 3 0A 68 -60,-2.6 -60,-2.3 -2,-0.3 2,-0.1 -0.972 92.2 -11.4-136.3 122.8 134.1 29.1 93.6 64 64 A P S S- 0 0 65 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.887 121.9 -78.3 -75.2 -33.7 135.9 27.8 91.6 65 65 A D - 0 0 46 -64,-0.2 2,-0.6 -4,-0.1 52,-0.2 -0.914 47.7 -78.0-177.1 169.7 137.5 25.8 94.4 66 66 A V + 0 0 0 50,-2.6 49,-3.1 47,-0.4 50,-0.5 -0.770 54.5 154.7 -88.2 118.2 140.0 26.4 97.2 67 67 A Y + 0 0 105 -2,-0.6 -1,-0.1 47,-0.2 47,-0.1 0.529 40.6 87.6-126.3 -9.5 143.5 26.3 95.8 68 68 A H S S- 0 0 25 1,-0.1 2,-0.1 45,-0.0 45,-0.1 -0.737 85.6-105.7 -86.7 143.4 145.9 28.3 98.0 69 69 A P S S+ 0 0 28 0, 0.0 72,-3.2 0, 0.0 73,-0.3 -0.448 73.7 87.1 -67.4 138.2 147.4 26.4 100.9 70 70 A G S S- 0 0 0 70,-0.2 43,-0.2 71,-0.1 70,-0.1 -0.758 72.6 -58.8 149.6 167.6 145.9 27.3 104.3 71 71 A P - 0 0 0 0, 0.0 68,-2.3 0, 0.0 2,-0.4 -0.376 30.8-144.2 -77.8 150.5 143.1 26.5 106.8 72 72 A V E +F 138 0B 0 66,-0.2 29,-1.4 -2,-0.1 2,-0.3 -0.941 26.0 176.7-104.9 132.4 139.3 26.6 106.3 73 73 A Q E -FG 137 100B 0 64,-2.2 64,-1.6 -2,-0.4 2,-0.4 -0.983 15.4-157.2-135.8 147.6 137.3 27.8 109.3 74 74 A F E -FG 136 99B 0 25,-2.1 24,-2.8 -2,-0.3 25,-1.5 -0.987 10.7-176.7-124.9 138.6 133.6 28.4 110.0 75 75 A Y E -FG 135 97B 0 60,-2.0 60,-2.7 -2,-0.4 2,-0.3 -0.894 7.5-156.0-125.8 159.9 132.0 30.6 112.7 76 76 A M E -FG 134 96B 0 20,-2.5 20,-2.5 -2,-0.3 2,-0.3 -0.947 4.7-168.1-132.0 156.0 128.5 31.4 113.7 77 77 A A E -F 133 0B 0 56,-1.7 56,-2.4 -2,-0.3 2,-0.5 -0.976 21.3-128.6-144.7 133.2 126.7 34.3 115.5 78 78 A R E -F 132 0B 56 16,-0.5 54,-0.2 -2,-0.3 12,-0.1 -0.687 13.2-135.7 -89.9 124.3 123.1 34.3 116.9 79 79 A V - 0 0 2 52,-2.7 52,-0.4 -2,-0.5 6,-0.1 -0.598 35.3-110.2 -68.1 129.4 120.7 37.1 116.0 80 80 A P > - 0 0 53 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.328 26.1-110.2 -62.5 149.8 118.8 38.1 119.2 81 81 A D T 3 S+ 0 0 141 1,-0.3 -2,-0.1 -3,-0.0 49,-0.0 0.819 118.3 53.0 -47.9 -39.9 115.1 37.2 119.4 82 82 A G T 3 S+ 0 0 77 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.011 100.3 85.9 -89.2 29.3 114.1 40.9 119.1 83 83 A E S < S- 0 0 101 -3,-1.8 2,-0.5 -4,-0.1 -4,-0.1 -0.924 72.3-125.1-132.9 155.0 116.1 41.4 115.9 84 84 A D >> - 0 0 85 -2,-0.3 3,-1.5 1,-0.1 4,-1.1 -0.863 15.0-140.6-100.3 127.3 115.7 40.9 112.1 85 85 A I T 34 S+ 0 0 8 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.828 101.4 61.4 -51.2 -36.4 118.4 38.7 110.3 86 86 A N T 34 S+ 0 0 67 1,-0.2 -1,-0.3 -41,-0.1 -38,-0.0 0.721 114.9 30.5 -67.8 -22.6 118.3 41.2 107.4 87 87 A S T <4 S+ 0 0 82 -3,-1.5 2,-0.5 -43,-0.1 -1,-0.2 0.424 97.6 96.5-115.9 -0.2 119.4 44.2 109.5 88 88 A W < + 0 0 34 -4,-1.1 -9,-0.1 -3,-0.3 -5,-0.0 -0.810 44.7 179.7 -97.6 128.8 121.6 42.4 112.1 89 89 A N - 0 0 40 -2,-0.5 -1,-0.1 -46,-0.1 -4,-0.0 0.395 45.5-105.9-115.0 -0.0 125.3 42.4 111.3 90 90 A G + 0 0 0 1,-0.1 85,-0.4 -12,-0.1 4,-0.3 0.898 51.5 175.6 75.4 42.0 127.2 40.5 114.1 91 91 A D + 0 0 58 2,-0.1 -1,-0.1 83,-0.1 473,-0.0 -0.386 45.2 14.0 -71.3 156.2 128.8 43.5 115.9 92 92 A G S S- 0 0 1 1,-0.1 2,-2.0 84,-0.1 83,-0.4 -0.036 117.4 -30.5 72.9-174.8 130.7 42.9 119.1 93 93 A A S S+ 0 0 10 467,-2.4 81,-0.3 1,-0.2 79,-0.2 -0.513 92.0 117.9 -81.8 78.6 132.0 39.7 120.6 94 94 A V + 0 0 22 -2,-2.0 -16,-0.5 79,-0.8 2,-0.4 0.377 40.7 103.7-123.1 -1.6 129.2 37.4 119.3 95 95 A W B -I 173 0C 0 78,-2.6 78,-2.8 -3,-0.3 2,-0.4 -0.739 41.9-175.7 -96.1 132.3 131.1 34.9 117.0 96 96 A F E -G 76 0B 8 -20,-2.5 -20,-2.5 -2,-0.4 2,-0.4 -0.961 27.7-117.8-121.5 144.2 131.9 31.3 118.0 97 97 A K E +G 75 0B 2 107,-0.5 109,-3.6 -2,-0.4 -22,-0.3 -0.656 30.9 171.7 -80.9 130.4 134.0 28.8 115.9 98 98 A V E + 0 0 7 -24,-2.8 2,-0.3 -2,-0.4 -23,-0.2 0.541 65.4 18.2-111.9 -13.3 132.2 25.7 114.7 99 99 A Y E +G 74 0B 68 -25,-1.5 -25,-2.1 22,-0.1 -1,-0.3 -0.976 53.4 163.7-158.0 142.0 134.8 24.2 112.4 100 100 A E E -G 73 0B 42 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.964 21.3-144.3-150.5 150.1 138.5 24.4 111.6 101 101 A D - 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