==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JUL-10 3AKR . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHODERMA LONGIBRACHIATUM; . AUTHOR M.SUGAHARA,N.KUNISHIMA . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 49.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 1 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 . 18 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 3 2 1 3 2 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 1 0 0 1 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 X 0 0 99 0, 0.0 28,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.1 -7.7 -13.0 -10.1 2 2 A T E -A 28 0A 92 26,-0.3 26,-0.3 24,-0.0 2,-0.3 -0.617 360.0-178.3 -71.5 121.6 -6.1 -9.6 -10.4 3 3 A I E -A 27 0A 33 24,-2.2 24,-0.6 -2,-0.5 3,-0.1 -0.765 26.5-113.7-123.5 168.4 -8.9 -7.3 -11.6 4 4 A Q - 0 0 153 -2,-0.3 13,-0.1 1,-0.2 -1,-0.0 -0.433 58.3 -63.6 -91.3 167.5 -9.6 -3.7 -12.6 5 5 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.208 87.6 88.1 -53.9 139.2 -11.9 -1.3 -10.6 6 6 A G E -F 17 0B 33 11,-2.3 11,-2.5 -3,-0.1 2,-0.3 -0.945 66.0 -95.2 158.6-175.6 -15.5 -2.3 -10.4 7 7 A T E +F 16 0B 89 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.906 50.9 115.2-130.0 160.0 -18.0 -4.3 -8.3 8 8 A G E -F 15 0B 14 7,-1.8 7,-2.4 -2,-0.3 2,-0.4 -0.967 56.3 -68.7 172.5-158.7 -19.2 -7.9 -8.7 9 9 A Y E +F 14 0B 153 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.985 35.2 179.8-130.8 137.4 -19.3 -11.3 -7.0 10 10 A N E > -F 13 0B 23 3,-3.1 3,-1.8 -2,-0.4 20,-0.1 -0.969 68.4 -21.5-142.7 122.2 -16.5 -13.7 -6.5 11 11 A N T 3 S- 0 0 97 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.802 129.4 -43.2 50.5 38.8 -16.7 -17.1 -4.9 12 12 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.402 120.4 97.9 93.7 -1.7 -19.8 -16.3 -2.9 13 13 A Y E < -F 10 0B 48 -3,-1.8 -3,-3.1 19,-0.3 -1,-0.2 -0.928 69.6-123.9-125.0 140.6 -18.8 -12.8 -1.8 14 14 A F E -FG 9 50B 9 36,-2.2 36,-2.6 -2,-0.4 2,-0.3 -0.512 32.8-166.9 -68.7 147.5 -19.6 -9.3 -3.1 15 15 A Y E -FG 8 49B 41 -7,-2.4 -7,-1.8 34,-0.2 2,-0.4 -0.989 13.8-170.1-137.2 148.6 -16.5 -7.3 -3.9 16 16 A S E +FG 7 48B 8 32,-2.0 32,-1.9 -2,-0.3 2,-0.4 -0.992 4.8 178.3-134.9 131.5 -15.8 -3.6 -4.6 17 17 A Y E +FG 6 47B 9 -11,-2.5 -11,-2.3 -2,-0.4 2,-0.3 -0.975 12.9 163.9-133.0 121.6 -12.6 -2.1 -5.9 18 18 A W E + G 0 46B 103 28,-2.9 28,-2.7 -2,-0.4 2,-0.3 -0.967 8.1 175.6-134.5 145.4 -12.4 1.6 -6.6 19 19 A N E - G 0 45B 39 -2,-0.3 26,-0.2 26,-0.3 4,-0.1 -0.966 37.8-117.0-144.8 168.7 -9.5 4.0 -7.1 20 20 A D - 0 0 61 24,-2.1 25,-0.1 -2,-0.3 3,-0.1 0.305 65.4 -90.1 -88.9 10.3 -9.1 7.7 -7.9 21 21 A G S S+ 0 0 65 1,-0.4 2,-0.2 23,-0.2 24,-0.1 0.245 90.8 122.5 103.4 -16.9 -7.2 7.2 -11.2 22 22 A H - 0 0 95 22,-0.2 -1,-0.4 1,-0.1 21,-0.4 -0.603 56.0-133.7 -78.7 143.2 -3.7 7.2 -9.7 23 23 A G + 0 0 56 -2,-0.2 20,-0.2 1,-0.1 -1,-0.1 -0.102 68.7 84.7 -87.8-171.8 -1.8 4.0 -10.5 24 24 A G + 0 0 40 1,-0.3 16,-2.8 18,-0.1 2,-0.5 0.503 64.3 115.4 97.2 6.0 0.3 1.7 -8.4 25 25 A V E - B 0 39A 22 14,-0.2 2,-0.5 -3,-0.2 -1,-0.3 -0.922 39.4-173.0-115.4 131.1 -2.5 -0.6 -7.0 26 26 A T E - B 0 38A 64 12,-2.7 12,-2.1 -2,-0.5 2,-0.5 -0.981 7.2-171.8-120.8 115.7 -3.0 -4.3 -7.7 27 27 A Y E -AB 3 37A 1 -24,-0.6 -24,-2.2 -2,-0.5 2,-0.4 -0.940 4.6-174.2-110.1 129.9 -6.2 -5.8 -6.3 28 28 A T E -AB 2 36A 31 8,-2.9 8,-2.6 -2,-0.5 2,-0.3 -0.972 16.5-146.8-130.0 126.2 -6.6 -9.5 -6.5 29 29 A N E - B 0 35A 6 -28,-2.6 6,-0.3 -2,-0.4 3,-0.1 -0.696 24.9-175.6 -86.8 141.0 -9.6 -11.7 -5.6 30 30 A G - 0 0 11 4,-3.1 4,-0.1 -2,-0.3 -1,-0.0 -0.511 36.5 -47.5-121.3-168.7 -8.8 -15.1 -4.2 31 31 A P S > S- 0 0 106 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 -0.230 103.9 -20.5 -61.8 151.5 -10.7 -18.3 -3.1 32 32 A G T 3 S- 0 0 33 1,-0.3 -19,-0.3 -3,-0.1 -2,-0.1 -0.198 133.7 -16.6 51.0-128.9 -13.7 -17.9 -0.8 33 33 A G T 3 S+ 0 0 6 156,-0.3 156,-2.0 -21,-0.1 2,-0.3 0.108 106.2 121.7 -95.3 24.5 -13.7 -14.6 1.0 34 34 A Q E < + C 0 188A 44 -3,-2.3 -4,-3.1 154,-0.3 2,-0.3 -0.612 28.3 161.1 -94.3 143.8 -10.1 -13.9 0.4 35 35 A F E -BC 29 187A 0 152,-2.4 152,-2.8 -2,-0.3 2,-0.3 -0.978 16.4-158.7-148.3 156.5 -8.5 -10.9 -1.4 36 36 A S E -BC 28 186A 34 -8,-2.6 -8,-2.9 -2,-0.3 2,-0.4 -0.979 3.1-166.3-136.6 153.4 -5.1 -9.3 -1.5 37 37 A V E -BC 27 185A 4 148,-2.7 148,-2.3 -2,-0.3 2,-0.4 -1.000 5.7-174.3-141.2 138.3 -3.8 -5.9 -2.4 38 38 A N E -BC 26 184A 73 -12,-2.1 -12,-2.7 -2,-0.4 2,-0.4 -0.999 13.3-178.0-131.3 127.1 -0.4 -4.6 -3.1 39 39 A W E -BC 25 183A 1 144,-2.8 144,-2.6 -2,-0.4 2,-0.5 -0.990 15.0-168.7-133.8 139.1 0.1 -0.8 -3.6 40 40 A S S S- 0 0 66 -16,-2.8 142,-0.2 -2,-0.4 -2,-0.0 -0.945 78.4 -30.5-127.5 107.6 3.2 1.2 -4.5 41 41 A N S S+ 0 0 134 -2,-0.5 141,-0.2 1,-0.1 -1,-0.1 0.932 91.1 168.8 48.5 58.2 2.8 5.0 -4.2 42 42 A S - 0 0 3 139,-2.2 -18,-0.1 1,-0.2 -19,-0.1 -0.140 33.9-128.6 -82.8 177.2 -0.9 4.9 -5.0 43 43 A G - 0 0 1 -21,-0.4 137,-1.5 -20,-0.2 2,-0.4 0.146 66.7 -37.1 -91.2-133.2 -3.5 7.6 -4.8 44 44 A N E S+ H 0 179B 28 135,-0.3 -24,-2.1 136,-0.1 2,-0.3 -0.810 71.7 159.0 -94.4 132.4 -6.7 6.9 -2.9 45 45 A F E -GH 19 178B 0 133,-2.0 133,-2.0 -2,-0.4 2,-0.4 -0.987 22.9-163.6-148.3 155.7 -8.2 3.4 -3.4 46 46 A V E +GH 18 177B 6 -28,-2.7 -28,-2.9 -2,-0.3 2,-0.3 -0.982 19.1 161.9-141.8 126.2 -10.7 1.1 -1.6 47 47 A G E +GH 17 176B 0 129,-2.2 129,-2.8 -2,-0.4 2,-0.3 -0.997 11.8 109.3-149.6 142.0 -11.0 -2.7 -2.2 48 48 A G E -GH 16 175B 0 -32,-1.9 -32,-2.0 -2,-0.3 2,-0.3 -0.989 45.4 -95.0 173.6-177.7 -12.4 -5.7 -0.4 49 49 A K E +GH 15 174B 0 125,-1.1 125,-2.7 -2,-0.3 2,-0.2 -0.842 51.8 98.0-123.3 156.1 -15.0 -8.4 -0.0 50 50 A G E -GH 14 173B 1 -36,-2.6 -36,-2.2 -2,-0.3 2,-0.3 -0.799 62.3 -28.4 172.7-121.0 -18.3 -8.9 1.8 51 51 A W E - H 0 172B 49 121,-3.1 121,-2.4 -2,-0.2 3,-0.2 -0.917 35.8-128.9-137.5 151.9 -22.0 -8.7 1.1 52 52 A Q S S+ 0 0 65 1,-0.4 119,-0.1 -2,-0.3 2,-0.1 -0.916 103.8 18.3-139.4 105.1 -24.6 -6.9 -1.0 53 53 A P S S- 0 0 81 0, 0.0 -1,-0.4 0, 0.0 118,-0.2 0.640 88.9-154.2 -90.6 168.6 -26.6 -5.8 0.9 54 54 A G - 0 0 6 116,-2.8 2,-0.3 25,-0.2 115,-0.1 -0.239 13.5-131.9 -86.2-175.8 -25.1 -5.8 4.4 55 55 A T - 0 0 61 -2,-0.1 3,-0.3 113,-0.1 115,-0.1 -0.853 16.0-119.3-133.3 170.6 -27.2 -6.1 7.5 56 56 A K S S+ 0 0 87 -2,-0.3 101,-0.1 1,-0.2 100,-0.1 0.366 110.7 40.3 -93.6 6.5 -27.4 -4.2 10.8 57 57 A N S S+ 0 0 119 95,-0.1 -1,-0.2 96,-0.1 2,-0.1 0.211 78.6 137.8-136.7 15.2 -26.6 -7.3 12.9 58 58 A K - 0 0 46 -3,-0.3 94,-2.2 93,-0.1 2,-0.7 -0.379 43.3-148.2 -69.6 138.9 -23.9 -9.1 11.0 59 59 A V E -D 151 0A 71 92,-0.2 2,-0.5 93,-0.1 92,-0.2 -0.949 22.7-159.0-106.3 110.9 -21.0 -10.5 12.9 60 60 A I E -D 150 0A 0 90,-2.6 90,-2.9 -2,-0.7 2,-0.4 -0.818 6.1-156.6-100.7 129.2 -18.1 -10.2 10.5 61 61 A N E +D 149 0A 64 129,-2.9 129,-2.0 -2,-0.5 2,-0.3 -0.810 17.2 171.0-102.5 141.9 -14.9 -12.3 10.8 62 62 A F E +DE 148 189A 8 86,-2.4 86,-2.3 -2,-0.4 2,-0.3 -0.990 5.5 166.5-147.4 153.4 -11.6 -11.2 9.3 63 63 A S E +DE 147 188A 57 125,-1.3 125,-2.6 -2,-0.3 2,-0.3 -0.949 23.4 87.1-164.8 143.0 -8.0 -12.4 9.4 64 64 A G E - 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