==== 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 3AKS . 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) . 8009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 76.3 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 . 20 10.5 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 96 0, 0.0 28,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.4 -7.7 -13.0 -10.2 2 2 A T E -A 28 0A 91 26,-0.3 2,-0.3 24,-0.0 26,-0.3 -0.645 360.0-178.1 -70.7 119.4 -6.1 -9.5 -10.4 3 3 A I E -A 27 0A 33 24,-2.1 24,-0.6 -2,-0.5 3,-0.1 -0.767 26.4-113.2-122.9 168.3 -8.9 -7.2 -11.6 4 4 A Q - 0 0 153 -2,-0.3 13,-0.1 1,-0.2 22,-0.0 -0.443 58.5 -62.9 -89.4 167.9 -9.6 -3.7 -12.6 5 5 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.219 87.6 89.5 -54.3 140.1 -11.9 -1.3 -10.6 6 6 A G E -F 17 0B 32 11,-2.3 11,-2.3 -3,-0.1 2,-0.3 -0.938 65.6 -95.2 158.6-176.7 -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 -0.900 51.3 114.6-128.5 159.5 -18.0 -4.3 -8.3 8 8 A G E -F 15 0B 14 7,-1.8 7,-2.5 -2,-0.3 2,-0.4 -0.968 56.4 -69.4 172.7-159.0 -19.2 -7.9 -8.6 9 9 A Y E +F 14 0B 155 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 35.2 179.5-131.0 137.7 -19.3 -11.3 -7.0 10 10 A N E > -F 13 0B 24 3,-3.0 3,-1.8 -2,-0.4 20,-0.1 -0.969 68.4 -21.1-143.3 122.6 -16.5 -13.7 -6.6 11 11 A N T 3 S- 0 0 96 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.799 129.6 -43.3 50.1 38.9 -16.6 -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 0.410 120.2 98.4 93.4 -1.2 -19.8 -16.3 -2.9 13 13 A Y E < -F 10 0B 48 -3,-1.8 -3,-3.0 19,-0.2 -1,-0.2 -0.929 69.5-123.3-125.1 140.1 -18.8 -12.8 -1.8 14 14 A F E -FG 9 50B 9 36,-2.2 36,-2.7 -2,-0.4 2,-0.3 -0.494 32.9-166.9 -66.7 146.0 -19.5 -9.3 -3.1 15 15 A Y E -FG 8 49B 40 -7,-2.5 -7,-1.8 34,-0.2 2,-0.4 -0.990 14.3-171.6-135.2 149.4 -16.5 -7.3 -3.9 16 16 A S E +FG 7 48B 8 32,-2.1 32,-1.9 -2,-0.3 2,-0.4 -0.989 4.1 178.6-135.5 134.8 -15.8 -3.6 -4.6 17 17 A Y E +FG 6 47B 9 -11,-2.3 -11,-2.3 -2,-0.4 2,-0.3 -0.970 13.4 164.8-136.0 118.9 -12.6 -2.2 -5.9 18 18 A W E + G 0 46B 103 28,-2.8 28,-2.6 -2,-0.4 2,-0.3 -0.958 7.1 173.9-133.8 145.3 -12.4 1.6 -6.5 19 19 A N E - G 0 45B 37 -2,-0.3 26,-0.2 26,-0.2 4,-0.1 -0.974 38.4-116.6-146.9 168.0 -9.6 4.0 -7.0 20 20 A D - 0 0 60 24,-2.1 3,-0.1 -2,-0.3 25,-0.1 0.305 65.1 -90.3 -87.3 8.4 -9.1 7.7 -7.9 21 21 A G S S+ 0 0 65 1,-0.4 2,-0.3 23,-0.2 24,-0.1 0.229 90.3 122.7 103.6 -17.2 -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 -0.606 55.9-133.8 -78.8 141.8 -3.7 7.1 -9.7 23 23 A G + 0 0 55 -2,-0.3 20,-0.2 1,-0.2 -1,-0.1 -0.104 68.7 84.9 -86.5-173.1 -1.8 4.0 -10.5 24 24 A G + 0 0 41 1,-0.3 16,-2.7 18,-0.1 2,-0.4 0.494 63.8 116.7 98.8 4.3 0.3 1.6 -8.4 25 25 A V E - B 0 39A 22 14,-0.2 2,-0.5 -3,-0.2 -1,-0.3 -0.917 38.6-173.8-111.4 133.2 -2.5 -0.6 -7.1 26 26 A T E - B 0 38A 62 12,-2.6 12,-2.2 -2,-0.4 2,-0.5 -0.981 7.8-173.1-123.9 111.8 -3.0 -4.3 -7.7 27 27 A Y E -AB 3 37A 1 -24,-0.6 -24,-2.1 -2,-0.5 2,-0.4 -0.944 4.2-174.1-109.9 130.5 -6.1 -5.8 -6.3 28 28 A T E -AB 2 36A 33 8,-3.0 8,-2.5 -2,-0.5 2,-0.4 -0.977 16.8-146.5-129.7 127.3 -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 -0.728 25.1-175.3 -88.4 139.1 -9.6 -11.7 -5.6 30 30 A G - 0 0 10 4,-3.1 4,-0.1 -2,-0.4 -1,-0.0 -0.476 36.6 -48.1-118.8-168.2 -8.8 -15.1 -4.2 31 31 A P S > S- 0 0 106 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 -0.224 103.8 -20.0 -62.3 152.7 -10.7 -18.3 -3.1 32 32 A G T 3 S- 0 0 33 1,-0.3 -19,-0.2 -3,-0.1 -2,-0.1 -0.177 134.0 -16.4 49.9-129.6 -13.7 -17.9 -0.8 33 33 A G T 3 S+ 0 0 5 156,-0.3 156,-2.0 -21,-0.1 -1,-0.3 0.127 106.4 122.2 -94.1 23.6 -13.7 -14.6 1.0 34 34 A Q E < + C 0 188A 46 -3,-2.4 -4,-3.1 154,-0.2 2,-0.3 -0.596 27.8 160.1 -92.6 145.2 -10.0 -13.9 0.3 35 35 A F E -BC 29 187A 0 152,-2.3 152,-2.8 -6,-0.3 2,-0.3 -0.974 16.5-159.4-152.0 156.3 -8.5 -10.9 -1.4 36 36 A S E -BC 28 186A 35 -8,-2.5 -8,-3.0 -2,-0.3 2,-0.4 -0.979 3.0-166.4-139.2 152.6 -5.1 -9.3 -1.5 37 37 A V E -BC 27 185A 5 148,-2.7 148,-2.2 -2,-0.3 2,-0.4 -1.000 5.5-173.6-142.0 138.6 -3.8 -5.9 -2.4 38 38 A N E -BC 26 184A 80 -12,-2.2 -12,-2.6 -2,-0.4 2,-0.4 -1.000 13.4-177.4-130.9 126.8 -0.3 -4.6 -3.1 39 39 A W E -BC 25 183A 3 144,-2.8 144,-2.7 -2,-0.4 2,-0.5 -0.991 15.1-169.3-133.6 139.5 0.1 -0.9 -3.6 40 40 A S S S- 0 0 68 -16,-2.7 142,-0.2 -2,-0.4 -2,-0.0 -0.944 78.3 -30.6-127.2 106.7 3.2 1.2 -4.5 41 41 A N S S+ 0 0 124 -2,-0.5 141,-0.2 1,-0.1 -1,-0.1 0.933 90.9 167.5 49.6 57.0 2.8 5.0 -4.2 42 42 A S - 0 0 3 139,-2.1 -19,-0.1 1,-0.2 -18,-0.1 -0.121 33.8-129.0 -83.0-179.9 -0.9 4.9 -5.1 43 43 A G - 0 0 0 -21,-0.4 137,-1.5 1,-0.2 2,-0.5 0.133 66.6 -35.2 -94.5-130.5 -3.5 7.6 -4.7 44 44 A N E S+ H 0 179B 27 135,-0.3 -24,-2.1 136,-0.1 2,-0.3 -0.805 71.9 158.1 -93.4 132.2 -6.8 6.9 -3.0 45 45 A F E -GH 19 178B 0 133,-2.1 133,-2.1 -2,-0.5 2,-0.3 -0.990 22.9-163.7-148.1 156.6 -8.2 3.4 -3.4 46 46 A V E +GH 18 177B 6 -28,-2.6 -28,-2.8 -2,-0.3 2,-0.3 -0.980 18.5 163.6-142.3 126.0 -10.6 1.1 -1.6 47 47 A G E +GH 17 176B 0 129,-2.2 129,-2.9 -2,-0.3 2,-0.3 -0.996 11.8 110.7-148.4 142.0 -11.0 -2.7 -2.1 48 48 A G E -GH 16 175B 0 -32,-1.9 -32,-2.1 -2,-0.3 2,-0.3 -0.986 44.9 -94.6 175.1 179.2 -12.5 -5.6 -0.4 49 49 A K E +GH 15 174B 0 125,-1.0 125,-2.7 -2,-0.3 -34,-0.2 -0.836 52.0 95.7-120.0 155.0 -15.0 -8.4 -0.0 50 50 A G E -GH 14 173B 1 -36,-2.7 -36,-2.2 -2,-0.3 2,-0.3 -0.778 61.4 -28.1 174.2-124.7 -18.3 -8.9 1.8 51 51 A W E - H 0 172B 49 121,-3.0 121,-2.4 -2,-0.2 3,-0.2 -0.919 35.3-129.7-134.4 151.5 -22.0 -8.7 1.1 52 52 A Q S S+ 0 0 63 1,-0.4 119,-0.2 -2,-0.3 2,-0.1 -0.913 103.5 18.1-139.9 105.6 -24.5 -6.9 -1.0 53 53 A P S S- 0 0 80 0, 0.0 -1,-0.4 0, 0.0 118,-0.2 0.635 88.7-154.2 -90.3 168.8 -26.6 -5.9 0.9 54 54 A G - 0 0 6 116,-2.8 2,-0.3 25,-0.2 115,-0.1 -0.242 13.8-132.3 -86.0-176.0 -25.1 -5.8 4.4 55 55 A T - 0 0 61 -2,-0.1 3,-0.4 113,-0.1 115,-0.1 -0.864 16.1-119.2-133.6 169.5 -27.2 -6.1 7.5 56 56 A K S S+ 0 0 88 -2,-0.3 101,-0.1 1,-0.2 100,-0.1 0.360 110.8 40.8 -92.7 7.4 -27.4 -4.2 10.8 57 57 A N S S+ 0 0 117 95,-0.1 -1,-0.2 96,-0.1 2,-0.1 0.221 78.5 137.9-136.7 14.4 -26.6 -7.3 12.9 58 58 A K - 0 0 43 -3,-0.4 94,-2.2 93,-0.1 2,-0.7 -0.370 43.2-148.3 -68.9 138.8 -23.9 -9.1 11.0 59 59 A V E -D 151 0A 73 92,-0.2 2,-0.5 93,-0.1 92,-0.2 -0.951 22.8-159.3-106.5 111.2 -21.0 -10.5 12.9 60 60 A I E -D 150 0A 0 90,-2.6 90,-2.7 -2,-0.7 2,-0.4 -0.829 6.2-156.9-101.1 128.4 -18.0 -10.2 10.5 61 61 A N E +D 149 0A 64 129,-3.0 129,-1.9 -2,-0.5 2,-0.3 -0.806 17.2 170.7-102.5 142.0 -14.9 -12.3 10.7 62 62 A F E +DE 148 189A 8 86,-2.4 86,-2.3 -2,-0.4 2,-0.3 -0.989 5.2 166.7-147.1 153.7 -11.6 -11.3 9.2 63 63 A S E +DE 147 188A 56 125,-1.3 125,-2.5 -2,-0.3 2,-0.3 -0.945 23.5 86.5-165.2 143.0 -8.0 -12.4 9.4 64 64 A G E - 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