==== 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 16-SEP-08 3EII . 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) . 33084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 186 22.4 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 . 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 . 78 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 3.4 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 . 5 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 . 14 2 4 0 8 0 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 . 0 4 0 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 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 72 0, 0.0 2,-0.3 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0 104.5 141.2 33.8 94.2 2 2 A Y - 0 0 0 23,-0.5 2,-0.2 24,-0.3 19,-0.0 -0.983 360.0-136.4-157.7 159.7 137.8 32.5 94.9 3 3 A T E -A 63 0A 6 60,-2.3 60,-2.6 -2,-0.3 152,-0.1 -0.645 15.8-134.3-113.3 172.4 134.4 33.4 96.5 4 4 A W E + 0 0 0 150,-0.3 58,-0.2 58,-0.2 132,-0.1 -0.734 43.9 157.4-125.6 73.7 132.1 31.6 98.8 5 5 A P E + 0 0 0 0, 0.0 8,-2.7 0, 0.0 9,-0.4 0.666 47.9 31.9 -76.2 -22.2 128.9 32.4 96.9 6 6 A R E -A 61 0A 60 55,-0.8 55,-2.9 6,-0.2 2,-0.3 -0.960 50.6-152.5-144.7 160.0 126.4 29.7 97.9 7 7 A V E > -A 60 0A 0 -2,-0.3 3,-2.3 4,-0.2 53,-0.2 -0.960 68.4 -33.9-127.3 143.9 125.1 27.3 100.6 8 8 A N T 3 S- 0 0 50 51,-2.9 50,-0.0 -2,-0.3 -2,-0.0 -0.146 124.8 -20.7 46.8-126.2 123.3 24.0 100.1 9 9 A D T 3 S+ 0 0 150 -3,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.377 106.2 117.3 -94.7 4.5 121.2 24.2 96.9 10 10 A G < - 0 0 7 -3,-2.3 2,-0.1 1,-0.1 3,-0.1 -0.142 62.0-112.5 -71.7 167.6 120.9 27.9 96.7 11 11 A A >> - 0 0 55 1,-0.2 3,-1.9 -5,-0.1 4,-0.5 -0.379 54.9 -54.5 -91.7 175.1 122.1 30.2 94.0 12 12 A D T 34 S- 0 0 88 1,-0.3 -6,-0.2 2,-0.1 -1,-0.2 -0.271 122.1 -11.6 -54.3 121.5 124.9 32.8 94.0 13 13 A W T 34 S+ 0 0 31 -8,-2.7 -1,-0.3 4,-0.1 5,-0.2 0.792 99.3 122.2 57.4 33.4 124.3 35.3 96.8 14 14 A Q T <4 S+ 0 0 82 -3,-1.9 34,-2.4 -9,-0.4 -2,-0.1 0.917 95.9 4.5 -89.1 -50.7 120.7 34.0 97.4 15 15 A Q S < S+ 0 0 18 -4,-0.5 143,-3.0 -10,-0.2 2,-0.5 0.367 125.7 82.1-109.4 -1.5 121.1 33.1 101.1 16 16 A V E S-C 157 0B 0 -5,-0.3 141,-0.3 -11,-0.3 2,-0.1 -0.911 87.9-116.3-109.6 125.3 124.7 34.5 101.2 17 17 A R E -C 156 0B 2 139,-2.7 139,-0.5 -2,-0.5 2,-0.3 -0.373 44.0 -99.8 -60.5 127.4 125.3 38.2 101.7 18 18 A K - 0 0 95 -5,-0.2 -1,-0.1 27,-0.2 26,-0.0 -0.252 40.1-141.9 -54.2 107.6 127.0 39.5 98.5 19 19 A A > - 0 0 0 -2,-0.3 3,-1.6 1,-0.1 21,-0.2 -0.347 18.4-116.9 -70.1 153.4 130.7 39.7 99.2 20 20 A D T 3 S+ 0 0 15 19,-2.9 3,-0.3 1,-0.3 4,-0.3 0.626 112.9 58.9 -66.9 -12.9 132.6 42.7 97.8 21 21 A N T 3> + 0 0 0 133,-0.2 4,-2.4 18,-0.2 -1,-0.3 0.133 64.6 117.7-102.2 20.8 134.7 40.3 95.7 22 22 A W T <4 S+ 0 0 93 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.710 87.7 32.2 -60.1 -19.8 131.8 38.8 93.8 23 23 A Q T 4 S+ 0 0 58 -3,-0.3 -1,-0.2 388,-0.1 390,-0.1 0.836 129.6 30.4-101.0 -49.7 133.4 40.2 90.6 24 24 A D T 4 S- 0 0 75 -4,-0.3 -2,-0.2 388,-0.1 -3,-0.1 0.464 88.1-134.6 -93.1 -3.3 137.1 40.1 91.1 25 25 A N < + 0 0 48 -4,-2.4 -23,-0.5 1,-0.1 -3,-0.1 0.741 53.4 156.9 54.8 23.9 137.4 37.1 93.5 26 26 A G - 0 0 5 -25,-0.2 -24,-0.3 -6,-0.1 2,-0.3 0.150 32.1-124.9 -68.2-173.1 139.8 39.2 95.5 27 27 A Y - 0 0 94 126,-0.1 2,-0.5 -26,-0.1 126,-0.2 -0.834 13.3-109.6-133.4 171.3 140.7 38.9 99.2 28 28 A V B +D 152 0B 2 124,-2.8 124,-2.6 -2,-0.3 3,-0.1 -0.892 30.0 173.8-101.3 127.3 140.8 40.8 102.5 29 29 A G + 0 0 30 -2,-0.5 2,-0.7 122,-0.2 121,-0.1 0.586 57.6 76.2-109.3 -11.7 144.3 41.6 103.7 30 30 A D > - 0 0 52 1,-0.1 3,-1.7 122,-0.1 6,-0.3 -0.874 56.5-165.4-105.1 107.6 143.6 43.9 106.7 31 31 A V T 3 S+ 0 0 10 -2,-0.7 146,-0.6 1,-0.3 148,-0.3 0.568 90.5 58.0 -69.4 -4.6 142.5 42.0 109.8 32 32 A T T 3 S+ 0 0 64 144,-0.1 -1,-0.3 143,-0.1 580,-0.1 0.506 87.6 100.0 -99.7 -5.8 141.4 45.3 111.4 33 33 A S S X S- 0 0 17 -3,-1.7 3,-2.0 1,-0.1 4,-0.2 -0.460 82.1-118.4 -85.0 153.8 139.0 46.2 108.5 34 34 A P T >> S+ 0 0 39 0, 0.0 3,-1.3 0, 0.0 4,-0.7 0.768 110.5 67.7 -55.9 -30.1 135.2 45.8 108.6 35 35 A Q H 3> S+ 0 0 25 1,-0.3 4,-2.3 4,-0.2 -7,-0.1 0.684 78.2 79.8 -66.0 -19.4 135.5 43.3 105.6 36 36 A I H <4 S+ 0 0 0 -3,-2.0 -1,-0.3 -6,-0.3 -5,-0.1 0.749 95.2 49.5 -63.3 -18.5 137.2 40.8 107.8 37 37 A R H <4 S- 0 0 30 -3,-1.3 118,-0.2 -4,-0.2 -2,-0.2 0.968 140.0 -15.0 -83.0 -61.0 133.7 39.9 109.1 38 38 A a H < S- 0 0 8 -4,-0.7 118,-0.4 2,-0.2 -2,-0.2 0.145 88.9-106.9-132.1 15.7 131.5 39.3 106.0 39 39 A F S < S+ 0 0 2 -4,-2.3 -19,-2.9 -5,-0.2 2,-0.4 0.860 82.6 123.4 59.4 35.8 133.6 40.9 103.2 40 40 A Q - 0 0 13 -6,-0.4 -2,-0.2 -21,-0.2 -1,-0.2 -0.934 50.5-163.8-131.1 111.7 131.2 43.9 103.1 41 41 A A S S+ 0 0 42 -2,-0.4 -1,-0.1 1,-0.3 351,-0.1 0.855 96.6 27.1 -57.9 -32.0 132.5 47.4 103.5 42 42 A T S S- 0 0 44 349,-0.2 -1,-0.3 -3,-0.1 354,-0.0 -0.969 100.1-112.6-134.1 117.5 128.8 48.2 104.1 43 43 A P + 0 0 61 0, 0.0 46,-0.1 0, 0.0 -2,-0.0 -0.151 38.8 173.8 -49.6 135.8 126.4 45.5 105.5 44 44 A S - 0 0 43 -26,-0.0 -26,-0.2 45,-0.0 43,-0.1 -0.922 27.1-123.3-149.9 117.1 123.8 44.4 102.9 45 45 A P - 0 0 61 0, 0.0 -27,-0.2 0, 0.0 41,-0.1 -0.124 22.3-115.1 -61.0 155.4 121.3 41.5 103.6 46 46 A A - 0 0 2 2,-0.2 -29,-0.1 -31,-0.2 -32,-0.1 -0.659 27.5-118.1 -86.2 148.9 121.0 38.5 101.4 47 47 A P S S+ 0 0 110 0, 0.0 2,-0.2 0, 0.0 -32,-0.2 0.765 90.3 26.8 -59.6 -26.5 117.5 38.2 99.6 48 48 A S - 0 0 42 -34,-2.4 2,-0.3 -35,-0.1 110,-0.2 -0.767 68.8-129.1-132.9 176.0 116.8 34.9 101.4 49 49 A V - 0 0 35 -2,-0.2 2,-0.6 108,-0.1 110,-0.2 -0.965 20.2-129.8-127.1 143.2 117.4 32.7 104.4 50 50 A L E -e 159 0B 14 108,-2.9 110,-2.3 -2,-0.3 2,-0.4 -0.840 19.4-145.6 -97.8 118.8 118.5 29.0 104.6 51 51 A N E +e 160 0B 121 -2,-0.6 2,-0.3 108,-0.2 110,-0.2 -0.661 34.7 145.7 -84.4 133.7 116.4 26.8 106.9 52 52 A T E -e 161 0B 16 108,-2.4 110,-1.6 -2,-0.4 2,-0.3 -0.955 39.3-117.1-156.9 166.8 118.2 24.1 108.7 53 53 A T E > -e 162 0B 72 -2,-0.3 3,-2.1 108,-0.2 70,-0.2 -0.858 35.4 -96.1-116.5 151.6 118.1 22.3 112.0 54 54 A A T 3 S+ 0 0 15 108,-2.1 3,-0.1 -2,-0.3 75,-0.0 -0.390 113.7 31.6 -60.6 136.7 120.7 22.1 114.8 55 55 A G T 3 S+ 0 0 49 68,-2.6 -1,-0.3 1,-0.4 2,-0.1 0.207 100.3 103.8 97.9 -15.0 122.7 18.9 114.4 56 56 A S S < S- 0 0 33 -3,-2.1 67,-2.5 68,-0.2 2,-0.4 -0.331 71.5-107.4 -92.5-179.9 122.4 18.9 110.6 57 57 A T E - B 0 122A 76 65,-0.2 2,-0.4 -3,-0.1 -4,-0.1 -0.906 19.0-157.1-116.0 135.5 125.0 19.8 108.0 58 58 A V E - B 0 121A 0 63,-3.0 63,-3.2 -2,-0.4 2,-0.6 -0.917 15.2-139.6-108.6 135.3 125.2 22.9 105.9 59 59 A T E - B 0 120A 36 -2,-0.4 -51,-2.9 61,-0.2 2,-0.5 -0.841 15.0-164.7 -97.1 120.0 127.2 22.8 102.6 60 60 A Y E -AB 7 119A 0 59,-2.6 59,-1.8 -2,-0.6 2,-0.4 -0.908 11.1-148.3-105.6 129.2 129.2 25.9 101.9 61 61 A W E -AB 6 118A 74 -55,-2.9 -55,-0.8 -2,-0.5 2,-0.3 -0.807 7.8-159.6-103.2 139.3 130.5 26.3 98.3 62 62 A A E - 0 0 1 55,-2.3 -58,-0.2 -2,-0.4 4,-0.1 -0.858 27.5-113.9-109.6 148.7 133.7 27.9 97.2 63 63 A N E S-A 3 0A 66 -60,-2.6 -60,-2.3 -2,-0.3 2,-0.1 -0.970 90.1 -7.8-139.3 122.9 134.0 29.1 93.5 64 64 A P S S- 0 0 65 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 -0.864 120.7 -74.2 -70.5 -46.9 136.0 27.9 91.6 65 65 A D - 0 0 43 -64,-0.2 2,-0.4 -2,-0.1 52,-0.2 -0.883 46.5 -86.8-173.6 148.5 137.7 25.8 94.3 66 66 A V + 0 0 0 50,-2.2 49,-3.2 47,-0.3 50,-0.4 -0.544 54.6 154.2 -65.3 121.4 140.1 26.5 97.2 67 67 A Y + 0 0 106 -2,-0.4 -1,-0.2 47,-0.2 47,-0.1 0.435 39.3 90.8-131.6 -3.1 143.6 26.4 95.8 68 68 A H S S- 0 0 22 1,-0.0 2,-0.1 45,-0.0 45,-0.1 -0.778 85.8-106.4 -92.1 140.3 145.8 28.6 98.0 69 69 A P S S+ 0 0 28 0, 0.0 72,-3.3 0, 0.0 73,-0.4 -0.438 73.8 89.5 -66.8 138.2 147.4 26.7 100.9 70 70 A G S S- 0 0 0 70,-0.2 43,-0.2 71,-0.1 70,-0.1 -0.801 71.9 -64.2 153.6 165.9 145.8 27.5 104.2 71 71 A P - 0 0 0 0, 0.0 68,-2.3 0, 0.0 2,-0.4 -0.361 31.5-142.2 -80.0 155.5 143.1 26.6 106.7 72 72 A V E +F 138 0B 0 66,-0.2 29,-1.5 -2,-0.1 2,-0.3 -0.942 25.5 177.3-113.7 137.4 139.3 26.8 106.3 73 73 A Q E -FG 137 100B 0 64,-2.5 64,-1.3 -2,-0.4 2,-0.4 -0.991 15.7-155.5-143.4 148.9 137.2 27.9 109.3 74 74 A F E -FG 136 99B 0 25,-2.1 24,-2.6 -2,-0.3 25,-1.4 -0.983 10.3-174.8-128.0 138.0 133.6 28.5 110.0 75 75 A Y E -FG 135 97B 0 60,-2.0 60,-2.7 -2,-0.4 2,-0.3 -0.904 6.8-156.5-127.7 156.9 132.0 30.8 112.6 76 76 A M E -FG 134 96B 0 20,-2.6 20,-2.4 -2,-0.3 2,-0.3 -0.937 4.3-168.9-131.1 156.7 128.4 31.4 113.7 77 77 A A E -FG 133 95B 0 56,-1.5 56,-2.2 -2,-0.3 2,-0.4 -0.971 21.0-129.2-148.2 128.9 126.7 34.3 115.5 78 78 A R E -F 132 0B 51 16,-0.5 54,-0.2 -2,-0.3 12,-0.1 -0.633 13.5-135.0 -86.3 132.2 123.1 34.3 116.9 79 79 A V - 0 0 4 52,-2.8 52,-0.3 -2,-0.4 6,-0.1 -0.692 33.3-110.4 -81.8 130.5 120.6 37.1 116.1 80 80 A P > - 0 0 56 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.332 25.5-113.8 -61.7 144.8 118.8 38.3 119.2 81 81 A D T 3 S+ 0 0 139 1,-0.3 -2,-0.0 3,-0.0 49,-0.0 0.782 117.0 56.0 -49.8 -30.7 115.1 37.3 119.4 82 82 A G T 3 S+ 0 0 71 2,-0.1 -1,-0.3 0, 0.0 2,-0.3 0.149 99.3 76.6 -91.8 21.6 114.2 41.0 119.1 83 83 A E S < S- 0 0 105 -3,-2.4 2,-0.5 -4,-0.0 -4,-0.1 -0.819 74.8-121.4-127.4 166.4 116.1 41.6 115.9 84 84 A D >> - 0 0 89 -2,-0.3 3,-1.8 1,-0.1 4,-1.4 -0.929 15.9-139.0-109.7 128.3 115.7 40.9 112.2 85 85 A I T 34 S+ 0 0 7 -2,-0.5 -1,-0.1 1,-0.3 74,-0.0 0.771 100.9 64.3 -58.6 -23.6 118.3 38.8 110.4 86 86 A N T 34 S+ 0 0 69 1,-0.2 -1,-0.3 -41,-0.1 -38,-0.0 0.732 116.2 26.7 -72.7 -20.2 118.2 41.2 107.4 87 87 A S T <4 S+ 0 0 81 -3,-1.8 2,-0.5 -43,-0.1 -2,-0.2 0.439 96.3 98.0-120.7 -2.6 119.4 44.1 109.4 88 88 A W < - 0 0 29 -4,-1.4 -9,-0.0 1,-0.1 -5,-0.0 -0.776 46.4-177.5 -87.9 125.8 121.5 42.5 112.2 89 89 A N - 0 0 39 -2,-0.5 -1,-0.1 -46,-0.1 -4,-0.0 0.432 43.2-107.7-107.6 2.8 125.2 42.6 111.2 90 90 A G + 0 0 0 1,-0.1 85,-0.4 -12,-0.1 4,-0.3 0.908 50.2 175.4 75.8 41.5 127.0 40.7 114.0 91 91 A D + 0 0 56 2,-0.1 -1,-0.1 83,-0.1 473,-0.0 -0.368 45.9 18.0 -73.6 159.9 128.7 43.7 115.8 92 92 A G S S- 0 0 2 1,-0.1 2,-2.0 84,-0.1 83,-0.4 0.018 115.4 -35.3 73.6 179.3 130.6 43.0 119.0 93 93 A A S S+ 0 0 9 467,-1.9 81,-0.3 1,-0.2 79,-0.2 -0.509 90.2 118.4 -78.8 78.4 131.9 39.7 120.4 94 94 A V + 0 0 24 -2,-2.0 -16,-0.5 79,-0.7 2,-0.3 0.384 42.6 103.3-122.8 -0.2 129.1 37.4 119.3 95 95 A W E -GH 77 173B 0 78,-2.4 78,-2.9 -3,-0.3 2,-0.4 -0.691 42.3-177.4 -92.8 138.0 131.0 35.0 117.0 96 96 A F E -G 76 0B 5 -20,-2.4 -20,-2.6 -2,-0.3 2,-0.3 -0.993 28.8-115.5-132.4 141.0 132.0 31.4 118.0 97 97 A K E +G 75 0B 0 107,-0.5 109,-3.4 -2,-0.4 -22,-0.3 -0.580 30.5 172.4 -77.4 130.8 133.9 28.9 115.9 98 98 A V E + 0 0 8 -24,-2.6 2,-0.3 -2,-0.3 -23,-0.2 0.488 66.7 18.8-113.7 -8.6 132.1 25.8 114.8 99 99 A Y E +G 74 0B 71 -25,-1.4 -25,-2.1 22,-0.1 -1,-0.3 -0.982 53.9 163.1-162.0 148.2 134.7 24.3 112.4 100 100 A E E -G 73 0B 43 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.944 22.2-140.7-161.4 145.7 138.4 24.5 111.6 101 101 A D - 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