==== 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 3AKQ . 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) . 7952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 73.2 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 . 92 48.4 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 . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.7 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 1 2 3 0 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 95 0, 0.0 28,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 163.5 14.7 -7.1 4.2 2 2 A T E -A 28 0A 85 26,-0.3 2,-0.3 24,-0.0 26,-0.2 -0.622 360.0-170.4 -74.6 133.2 17.2 -4.3 4.7 3 3 A I E -A 27 0A 30 24,-2.2 24,-0.5 -2,-0.3 3,-0.1 -0.893 25.4-122.3-128.9 159.9 15.1 -1.2 5.0 4 4 A Q - 0 0 149 -2,-0.3 13,-0.1 1,-0.2 22,-0.0 -0.487 64.5 -57.7 -87.7 166.4 15.3 2.6 5.2 5 5 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.141 89.3 93.4 -48.6 137.0 13.9 4.4 8.2 6 6 A G E -F 17 0B 33 11,-2.1 11,-2.3 -3,-0.1 2,-0.3 -0.964 58.7-105.6 163.9-175.6 10.2 3.8 8.9 7 7 A T E +F 16 0B 85 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.899 46.0 110.8-136.5 165.0 7.6 1.7 10.8 8 8 A G E -F 15 0B 21 7,-1.5 7,-2.5 -2,-0.3 2,-0.4 -0.984 61.2 -59.9 161.4-164.9 5.2 -1.0 9.9 9 9 A Y E -F 14 0B 165 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.931 40.3-180.0-114.8 138.6 4.5 -4.7 10.5 10 10 A N E > -F 13 0B 24 3,-3.1 3,-1.4 -2,-0.4 20,-0.1 -0.951 69.5 -23.6-141.5 118.4 6.8 -7.5 9.4 11 11 A N T 3 S- 0 0 97 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.835 129.3 -43.4 50.0 41.9 6.1 -11.2 9.9 12 12 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 21,-0.1 -1,-0.3 0.518 121.2 96.1 87.8 4.7 3.8 -10.6 12.8 13 13 A Y E < S-F 10 0B 47 -3,-1.4 -3,-3.1 19,-0.2 -1,-0.2 -0.979 70.6-124.2-130.4 139.0 5.8 -7.9 14.6 14 14 A F E -FG 9 50B 10 36,-2.4 36,-2.6 -2,-0.4 2,-0.3 -0.513 32.5-165.5 -68.0 145.5 5.8 -4.2 14.6 15 15 A Y E -FG 8 49B 42 -7,-2.5 -7,-1.5 34,-0.2 2,-0.4 -0.985 13.9-171.0-132.3 153.3 9.1 -2.6 13.7 16 16 A S E +FG 7 48B 6 32,-2.0 32,-2.1 -2,-0.3 2,-0.4 -0.989 4.6 178.7-139.4 130.7 10.5 0.9 14.0 17 17 A Y E +FG 6 47B 7 -11,-2.3 -11,-2.1 -2,-0.4 2,-0.3 -0.980 11.6 166.4-134.4 120.1 13.8 2.0 12.5 18 18 A W E + G 0 46B 85 28,-2.7 28,-2.6 -2,-0.4 2,-0.3 -0.975 5.2 171.7-133.1 144.9 14.9 5.6 12.9 19 19 A N E - G 0 45B 30 -2,-0.3 26,-0.2 26,-0.2 4,-0.1 -0.969 40.8-116.2-148.2 164.1 18.2 7.4 12.3 20 20 A D - 0 0 68 24,-2.0 3,-0.1 -2,-0.3 25,-0.1 0.250 62.7 -96.4 -85.0 12.0 19.5 10.9 12.3 21 21 A G S S+ 0 0 64 1,-0.4 2,-0.2 23,-0.2 24,-0.1 0.250 86.5 129.1 93.3 -15.2 20.4 10.9 8.7 22 22 A H - 0 0 83 22,-0.2 21,-0.4 1,-0.1 -1,-0.4 -0.510 55.9-128.9 -72.3 140.9 24.1 10.0 9.4 23 23 A G S S+ 0 0 48 -2,-0.2 20,-0.2 1,-0.2 -1,-0.1 -0.029 73.2 85.0 -77.8-170.4 25.2 7.1 7.4 24 24 A G + 0 0 36 1,-0.2 16,-2.6 18,-0.2 2,-0.4 0.581 68.5 103.9 92.9 11.4 27.0 4.0 8.7 25 25 A V E - B 0 39A 23 14,-0.2 2,-0.4 -3,-0.2 14,-0.2 -0.985 41.6-174.4-131.8 134.6 23.9 1.9 9.7 26 26 A T E - B 0 38A 66 12,-2.5 12,-2.2 -2,-0.4 2,-0.5 -0.980 8.7-172.2-126.1 119.3 22.2 -1.1 8.1 27 27 A Y E -AB 3 37A 1 -24,-0.5 -24,-2.2 -2,-0.4 2,-0.4 -0.943 5.1-173.4-112.7 131.0 19.0 -2.4 9.7 28 28 A T E -AB 2 36A 31 8,-2.9 8,-2.7 -2,-0.5 2,-0.4 -0.980 17.9-143.7-130.7 128.3 17.4 -5.6 8.4 29 29 A N E - B 0 35A 6 -28,-2.7 6,-0.3 -2,-0.4 3,-0.1 -0.719 27.2-174.6 -86.0 136.1 14.1 -7.3 9.3 30 30 A G - 0 0 11 4,-3.0 4,-0.1 -2,-0.4 -1,-0.0 -0.443 36.6 -46.5-116.2-168.2 14.3 -11.0 9.4 31 31 A P S > S- 0 0 104 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 -0.241 102.7 -26.4 -61.6 149.0 11.9 -13.9 9.8 32 32 A G T 3 S- 0 0 32 1,-0.3 -19,-0.2 -3,-0.1 -2,-0.1 -0.151 133.7 -11.8 49.8-126.2 9.3 -13.7 12.6 33 33 A G T 3 S+ 0 0 6 156,-0.2 156,-1.9 -21,-0.1 2,-0.3 0.172 107.2 117.4 -92.2 18.8 10.5 -11.5 15.5 34 34 A Q E < + C 0 188A 36 -3,-2.4 -4,-3.0 154,-0.2 2,-0.3 -0.643 30.7 162.6 -95.9 145.1 14.1 -11.3 14.3 35 35 A F E -BC 29 187A 0 152,-2.4 152,-2.4 -2,-0.3 2,-0.3 -0.970 16.3-156.2-148.6 155.7 16.1 -8.2 13.2 36 36 A S E -BC 28 186A 24 -8,-2.7 -8,-2.9 -2,-0.3 2,-0.4 -0.972 2.8-164.8-134.6 153.7 19.7 -7.4 12.7 37 37 A V E -BC 27 185A 1 148,-2.5 148,-2.0 -2,-0.3 2,-0.4 -0.999 4.5-176.6-137.8 137.4 21.8 -4.3 12.7 38 38 A N E +BC 26 184A 88 -12,-2.2 -12,-2.5 -2,-0.4 2,-0.3 -0.997 16.2 173.6-130.3 126.2 25.3 -3.7 11.5 39 39 A W E +BC 25 183A 11 144,-2.8 144,-2.7 -2,-0.4 2,-0.3 -0.983 17.5 178.8-139.8 149.5 26.9 -0.3 12.0 40 40 A S S S- 0 0 73 -16,-2.6 142,-0.2 -2,-0.3 140,-0.0 -0.905 80.3 -11.5-148.9 117.4 30.2 1.4 11.5 41 41 A N S S+ 0 0 122 140,-0.3 141,-0.2 -2,-0.3 -16,-0.1 0.962 93.7 169.9 55.1 53.9 30.9 5.1 12.3 42 42 A S - 0 0 2 139,-2.4 -18,-0.2 -18,-0.2 -19,-0.1 -0.103 32.9-135.5 -79.8 177.1 27.1 5.6 12.7 43 43 A G - 0 0 0 -21,-0.4 137,-2.0 -20,-0.2 2,-0.5 -0.045 61.5 -46.0 -99.1-139.1 25.2 8.6 13.9 44 44 A N E S+ H 0 179B 16 135,-0.3 -24,-2.0 -2,-0.1 2,-0.3 -0.841 71.5 158.7 -93.5 133.5 22.3 8.1 16.3 45 45 A F E -GH 19 178B 0 133,-1.9 133,-2.1 -2,-0.5 2,-0.3 -0.984 24.4-163.8-149.6 157.2 19.9 5.4 15.4 46 46 A V E +GH 18 177B 4 -28,-2.6 -28,-2.7 -2,-0.3 2,-0.3 -0.975 20.0 161.2-144.0 126.1 17.2 3.2 17.0 47 47 A G E +GH 17 176B 0 129,-2.2 129,-2.8 -2,-0.3 2,-0.3 -0.999 10.7 107.4-149.8 143.6 15.8 0.0 15.5 48 48 A G E -GH 16 175B 0 -32,-2.1 -32,-2.0 -2,-0.3 2,-0.3 -0.987 46.1 -89.2 173.0-173.3 13.9 -3.1 16.5 49 49 A K E +GH 15 174B 0 125,-1.0 125,-2.6 -2,-0.3 -34,-0.2 -0.852 52.8 97.9-124.1 155.7 10.7 -5.2 16.7 50 50 A G E -GH 14 173B 0 -36,-2.6 -36,-2.4 -2,-0.3 2,-0.3 -0.777 63.1 -28.5 174.4-124.1 7.8 -5.6 19.0 51 51 A W E - H 0 172B 48 121,-3.1 121,-2.5 -2,-0.2 3,-0.2 -0.916 35.7-136.2-133.5 151.7 4.2 -4.3 19.2 52 52 A Q S S+ 0 0 53 1,-0.5 119,-0.1 -2,-0.3 2,-0.1 -0.880 100.7 24.4-149.6 109.2 2.1 -1.4 18.3 53 53 A P S S- 0 0 92 0, 0.0 -1,-0.5 0, 0.0 118,-0.2 0.579 93.6-154.0 -84.7 160.6 0.3 -0.6 20.4 54 54 A G - 0 0 8 116,-3.0 2,-0.3 -3,-0.2 115,-0.2 -0.232 7.7-137.8 -81.3 177.0 2.2 -1.9 23.5 55 55 A T - 0 0 65 113,-0.1 3,-0.3 -2,-0.1 115,-0.1 -0.885 16.8-120.3-133.6 170.8 0.7 -2.8 26.8 56 56 A K S S+ 0 0 99 -2,-0.3 100,-0.1 1,-0.2 101,-0.1 0.330 106.2 40.4 -96.8 9.8 1.6 -2.3 30.5 57 57 A N S S+ 0 0 117 95,-0.1 -1,-0.2 96,-0.1 2,-0.1 0.228 77.3 134.9-139.4 15.7 1.8 -5.9 31.5 58 58 A K - 0 0 62 -3,-0.3 94,-1.9 93,-0.1 2,-0.7 -0.398 46.5-143.7 -73.0 140.5 3.6 -7.7 28.6 59 59 A V E -D 151 0A 67 92,-0.2 2,-0.5 93,-0.1 92,-0.2 -0.938 23.5-156.9-102.4 114.3 6.4 -10.1 29.4 60 60 A I E -D 150 0A 0 90,-2.5 90,-2.7 -2,-0.7 2,-0.4 -0.842 5.8-157.3-100.7 129.9 8.9 -9.6 26.5 61 61 A N E +D 149 0A 58 129,-2.9 129,-1.7 -2,-0.5 2,-0.3 -0.876 16.3 174.0-105.5 133.4 11.4 -12.3 25.5 62 62 A F E +DE 148 189A 5 86,-2.6 86,-2.6 -2,-0.4 2,-0.3 -0.984 3.7 159.1-138.5 149.9 14.6 -11.4 23.7 63 63 A S E + E 0 188A 56 125,-1.5 125,-2.7 -2,-0.3 2,-0.3 -0.987 22.6 77.1-161.1 159.6 17.6 -13.3 22.6 64 64 A G E S- E 0 187A 43 -2,-0.3 2,-0.4 123,-0.2 123,-0.2 -0.944 74.2 -33.5 140.3-155.5 20.5 -13.3 20.2 65 65 A S E - E 0 186A 51 121,-2.1 121,-2.5 -2,-0.3 2,-0.4 -0.881 40.6-178.7-109.2 139.8 23.9 -11.6 19.7 66 66 A Y E + E 0 185A 13 -2,-0.4 119,-0.2 119,-0.2 8,-0.1 -0.902 9.7 165.2-138.7 104.5 24.7 -8.1 20.8 67 67 A N E + E 0 184A 89 117,-3.0 117,-1.4 -2,-0.4 2,-0.1 -0.648 10.0 177.5-124.1 75.0 28.2 -6.9 20.0 68 68 A P E - E 0 183A 37 0, 0.0 2,-0.4 0, 0.0 115,-0.3 -0.461 19.3-160.1 -80.4 146.8 28.6 -3.2 20.3 69 69 A N E S- E 0 182A 120 113,-3.3 113,-1.5 -2,-0.1 2,-0.3 -0.751 72.8 -18.4-120.6 82.4 31.9 -1.4 19.8 70 70 A G S S+ 0 0 17 -2,-0.4 25,-1.6 111,-0.2 2,-0.6 -0.916 119.7 8.0 122.8-153.8 31.3 1.9 21.6 71 71 A N S S+ 0 0 28 108,-0.4 108,-2.3 -2,-0.3 2,-0.3 -0.566 80.0 126.8 -75.7 112.7 28.1 3.7 22.7 72 72 A S E -I 178 0B 0 -2,-0.6 22,-2.5 106,-0.2 2,-0.3 -0.976 37.8-150.8-161.1 152.6 25.1 1.5 22.2 73 73 A Y E -IJ 177 93B 21 104,-2.1 104,-2.5 -2,-0.3 2,-0.4 -0.960 7.4-156.1-127.3 154.4 22.1 0.1 24.2 74 74 A L E +IJ 176 92B 1 18,-2.7 17,-2.2 -2,-0.3 18,-1.5 -0.989 41.4 147.0-124.7 114.2 19.9 -3.0 24.1 75 75 A S E -IJ 175 90B 2 100,-2.2 100,-3.0 -2,-0.4 2,-0.6 -0.970 61.0-107.6-144.9 152.3 16.6 -2.2 25.6 76 76 A V E -IJ 174 89B 1 13,-2.5 13,-2.7 -2,-0.3 2,-0.4 -0.825 59.1-178.0 -72.4 127.2 12.9 -2.7 25.9 77 77 A Y E +IJ 173 88B 8 96,-3.2 96,-3.2 -2,-0.6 2,-0.3 -0.991 14.3 125.4-141.0 139.4 12.0 0.6 24.4 78 78 A G E -IJ 172 87B 0 9,-1.9 9,-2.9 -2,-0.4 2,-0.3 -0.965 36.5-108.9-172.8-171.7 8.8 2.5 23.7 79 79 A W E - J 0 86B 6 92,-1.7 91,-3.0 -2,-0.3 2,-0.3 -0.937 11.1-163.5-136.4 153.9 6.6 5.6 24.0 80 80 A S E > -IJ 169 85B 0 5,-1.9 5,-1.8 -2,-0.3 2,-0.3 -0.898 13.2-144.0-124.2 165.2 3.5 6.8 25.7 81 81 A R E 5S+I 168 0B 127 87,-2.0 87,-1.7 -2,-0.3 3,-0.3 -0.928 71.3 56.5-120.5 155.7 1.3 9.9 25.0 82 82 A N T 5S+ 0 0 134 -2,-0.3 -1,-0.2 85,-0.2 2,-0.1 0.956 130.0 28.1 55.4 59.6 -0.5 12.0 27.5 83 83 A P T 5S- 0 0 55 0, 0.0 84,-0.7 0, 0.0 2,-0.6 0.406 106.4-135.9 -85.7 160.0 2.1 12.4 28.8 84 84 A L T 5 + 0 0 29 -3,-0.3 51,-0.8 49,-0.1 2,-0.4 -0.681 39.2 165.5 -77.1 117.4 4.6 12.0 25.9 85 85 A I E < -Jk 80 135B 1 -5,-1.8 -5,-1.9 -2,-0.6 2,-0.5 -0.999 33.4-153.0-140.2 137.2 7.4 9.8 27.3 86 86 A E E -Jk 79 136B 14 49,-1.8 51,-1.6 -2,-0.4 2,-0.3 -0.966 29.9-168.9-105.1 124.5 10.2 7.8 25.8 87 87 A Y E -Jk 78 137B 0 -9,-2.9 -9,-1.9 -2,-0.5 2,-0.4 -0.878 13.7-168.3-124.6 154.8 11.1 4.9 28.0 88 88 A Y E -Jk 77 138B 6 49,-2.4 51,-2.3 -2,-0.3 2,-0.6 -0.998 18.8-170.4-140.7 133.0 13.8 2.3 28.3 89 89 A I E -Jk 76 139B 0 -13,-2.7 -13,-2.5 -2,-0.4 2,-0.7 -0.937 33.0-153.0-117.0 97.9 14.4 -0.9 30.3 90 90 A V E +Jk 75 140B 1 49,-2.9 51,-2.7 -2,-0.6 -15,-0.3 -0.681 25.6 172.9 -84.6 115.7 18.1 -1.3 29.4 91 91 A E E - 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