==== 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 3AKP . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHODERMA LONGIBRACHIATUM; . AUTHOR M.SUGAHARA,N.KUNISHIMA . 380 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 48.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 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 . 37 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 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 2 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 2 0 2 4 6 0 6 4 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 2 0 0 2 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 0 102 0, 0.0 28,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 153.5 -7.5 -12.2 -10.3 2 2 A T E +A 28 0A 90 26,-0.3 2,-0.3 24,-0.0 26,-0.2 -0.594 360.0 175.8 -67.6 124.0 -5.9 -8.8 -10.3 3 3 A I E -A 27 0A 40 24,-2.1 24,-0.6 -2,-0.4 3,-0.1 -0.892 30.7-118.8-131.4 163.1 -8.5 -6.3 -11.4 4 4 A Q - 0 0 146 -2,-0.3 13,-0.1 1,-0.2 22,-0.0 -0.378 65.6 -52.2 -86.1 173.1 -9.1 -2.6 -11.9 5 5 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.134 86.4 104.1 -48.9 142.9 -11.7 -0.8 -10.0 6 6 A G E -F 17 0B 33 11,-2.2 11,-2.3 -3,-0.1 2,-0.3 -0.923 55.7-110.0 163.2 175.7 -15.2 -2.2 -10.0 7 7 A T E +F 16 0B 91 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.904 47.4 110.9-130.5 160.9 -17.8 -4.2 -8.0 8 8 A G E -F 15 0B 15 7,-1.8 7,-2.4 -2,-0.3 2,-0.4 -0.978 58.9 -65.1 169.0-158.2 -19.2 -7.7 -8.3 9 9 A Y E -F 14 0B 157 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.982 36.9-179.9-129.2 137.1 -19.2 -11.1 -6.8 10 10 A N E > -F 13 0B 25 3,-3.2 3,-1.6 -2,-0.4 20,-0.1 -0.963 68.3 -21.8-142.7 120.3 -16.4 -13.5 -6.4 11 11 A N T 3 S- 0 0 99 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.810 129.7 -42.3 50.6 40.9 -16.5 -17.0 -4.8 12 12 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.393 121.3 95.3 92.8 -1.6 -19.6 -16.3 -2.8 13 13 A Y E < -F 10 0B 51 -3,-1.6 -3,-3.2 19,-0.3 -1,-0.2 -0.933 69.8-123.2-127.5 143.8 -18.7 -12.8 -1.6 14 14 A F E -FG 9 50B 9 36,-2.2 36,-2.6 -2,-0.4 2,-0.3 -0.501 31.3-166.7 -71.8 148.5 -19.4 -9.3 -2.9 15 15 A Y E -FG 8 49B 40 -7,-2.4 -7,-1.8 34,-0.2 2,-0.4 -0.993 13.3-171.1-138.2 150.3 -16.4 -7.1 -3.6 16 16 A S E +FG 7 48B 7 32,-2.1 32,-1.9 -2,-0.3 2,-0.4 -0.983 4.8 178.3-139.9 127.6 -15.8 -3.5 -4.2 17 17 A Y E +FG 6 47B 6 -11,-2.3 -11,-2.2 -2,-0.4 2,-0.3 -0.991 12.5 165.0-132.0 121.9 -12.6 -1.9 -5.4 18 18 A W E + G 0 46B 101 28,-2.7 28,-2.7 -2,-0.4 2,-0.3 -0.974 6.9 172.8-136.3 147.5 -12.4 1.8 -6.0 19 19 A N E - G 0 45B 27 -2,-0.3 26,-0.2 26,-0.3 4,-0.0 -0.968 41.2-112.3-149.6 165.6 -9.6 4.4 -6.4 20 20 A D - 0 0 60 24,-2.2 25,-0.1 -2,-0.3 3,-0.1 0.289 67.6 -90.6 -83.0 9.6 -9.2 8.0 -7.3 21 21 A G S S+ 0 0 64 1,-0.4 2,-0.1 23,-0.2 -1,-0.1 0.158 89.5 124.8 103.7 -20.4 -7.5 7.4 -10.6 22 22 A H - 0 0 101 22,-0.2 -1,-0.4 1,-0.1 21,-0.3 -0.463 54.2-132.6 -73.5 147.3 -3.9 7.3 -9.3 23 23 A G S S+ 0 0 55 1,-0.2 20,-0.2 19,-0.1 -1,-0.1 -0.034 70.1 86.2 -85.9-166.8 -1.9 4.2 -10.1 24 24 A G + 0 0 37 1,-0.3 16,-2.9 18,-0.1 2,-0.4 0.311 64.9 114.3 96.0 -8.4 0.3 2.1 -7.8 25 25 A V E - B 0 39A 17 -3,-0.3 2,-0.5 14,-0.2 -1,-0.3 -0.830 41.8-171.4-103.9 134.8 -2.5 -0.1 -6.5 26 26 A T E - B 0 38A 63 12,-2.2 12,-2.2 -2,-0.4 2,-0.5 -0.937 9.8-177.2-123.0 103.6 -2.7 -3.9 -7.2 27 27 A Y E -AB 3 37A 1 -24,-0.6 -24,-2.1 -2,-0.5 2,-0.4 -0.897 4.0-177.5-103.9 130.5 -6.0 -5.3 -6.0 28 28 A T E -AB 2 36A 31 8,-2.8 8,-2.4 -2,-0.5 2,-0.3 -0.988 19.0-144.0-134.2 127.3 -6.5 -9.1 -6.4 29 29 A N E - B 0 35A 6 -28,-2.4 6,-0.3 -2,-0.4 3,-0.1 -0.686 26.1-176.9 -85.8 141.6 -9.4 -11.3 -5.6 30 30 A G - 0 0 12 4,-3.0 4,-0.1 -2,-0.3 -1,-0.0 -0.527 36.3 -47.5-123.3-168.4 -8.6 -14.7 -4.2 31 31 A P S > S- 0 0 104 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.230 103.4 -20.1 -62.9 152.6 -10.5 -17.9 -3.2 32 32 A G T 3 S- 0 0 32 1,-0.3 -19,-0.3 -3,-0.1 -2,-0.1 -0.185 133.5 -16.7 50.7-129.6 -13.5 -17.6 -0.9 33 33 A G T 3 S+ 0 0 4 156,-0.3 156,-2.4 -21,-0.1 2,-0.3 0.094 106.0 122.6 -95.5 26.0 -13.5 -14.4 1.0 34 34 A Q E < + C 0 188A 40 -3,-2.2 -4,-3.0 154,-0.3 2,-0.3 -0.634 27.0 158.7 -94.4 143.7 -9.9 -13.6 0.4 35 35 A F E -BC 29 187A 0 152,-2.2 152,-2.9 -2,-0.3 2,-0.3 -0.969 19.5-154.2-152.2 155.8 -8.4 -10.5 -1.3 36 36 A S E -BC 28 186A 35 -8,-2.4 -8,-2.8 -2,-0.3 2,-0.4 -0.986 3.6-167.0-135.9 146.8 -5.0 -8.9 -1.3 37 37 A V E +BC 27 185A 1 148,-2.6 148,-1.7 -2,-0.3 2,-0.5 -0.979 5.7 179.4-137.0 121.3 -3.9 -5.3 -2.0 38 38 A N E -BC 26 184A 85 -12,-2.2 -12,-2.2 -2,-0.4 2,-0.4 -0.992 13.3-174.0-120.4 123.9 -0.3 -4.3 -2.5 39 39 A W E -BC 25 183A 4 144,-2.8 144,-2.5 -2,-0.5 2,-0.5 -0.968 18.3-171.1-129.6 139.9 0.2 -0.6 -3.2 40 40 A S S S- 0 0 69 -16,-2.9 142,-0.2 -2,-0.4 -2,-0.0 -0.952 80.5 -25.9-126.0 107.6 3.3 1.5 -4.1 41 41 A N S S+ 0 0 128 -2,-0.5 141,-0.2 140,-0.1 -1,-0.1 0.955 91.0 172.5 52.1 60.5 2.8 5.2 -3.9 42 42 A S - 0 0 4 139,-2.4 -18,-0.1 -18,-0.2 -19,-0.1 -0.108 30.7-133.8 -83.5 179.7 -1.0 5.1 -4.5 43 43 A G - 0 0 0 -21,-0.3 137,-1.8 -20,-0.2 2,-0.5 0.039 65.1 -38.9-100.8-134.0 -3.5 7.8 -4.3 44 44 A N E S+ H 0 179B 24 135,-0.3 -24,-2.2 -2,-0.1 2,-0.3 -0.817 72.5 159.8 -96.6 132.4 -6.7 7.2 -2.4 45 45 A F E -GH 19 178B 1 133,-2.0 133,-2.2 -2,-0.5 2,-0.3 -0.985 23.7-166.2-147.6 156.7 -8.2 3.7 -2.8 46 46 A V E +GH 18 177B 7 -28,-2.7 -28,-2.7 -2,-0.3 2,-0.3 -0.965 20.5 160.0-144.9 123.0 -10.7 1.4 -1.0 47 47 A G E +GH 17 176B 0 129,-2.2 129,-2.8 -2,-0.3 2,-0.3 -0.999 9.9 109.4-149.3 143.3 -11.0 -2.3 -1.7 48 48 A G E -GH 16 175B 0 -32,-1.9 -32,-2.1 -2,-0.3 2,-0.3 -0.988 44.9 -92.4 174.2-175.3 -12.3 -5.5 -0.0 49 49 A K E +GH 15 174B 0 125,-1.0 125,-2.5 -2,-0.3 2,-0.2 -0.814 52.3 97.3-122.5 157.7 -14.9 -8.3 0.2 50 50 A G E -GH 14 173B 0 -36,-2.6 -36,-2.2 -2,-0.3 2,-0.3 -0.804 64.0 -28.7 171.0-119.4 -18.1 -9.0 2.1 51 51 A W E - H 0 172B 49 121,-3.2 121,-2.5 -2,-0.2 3,-0.2 -0.941 36.9-128.3-137.8 152.9 -21.8 -8.7 1.3 52 52 A Q S S+ 0 0 59 1,-0.4 119,-0.2 -2,-0.3 2,-0.1 -0.922 103.2 19.3-138.9 106.5 -24.4 -6.8 -0.8 53 53 A P S S- 0 0 82 0, 0.0 -1,-0.4 0, 0.0 118,-0.2 0.628 89.4-153.0 -89.6 167.3 -26.5 -5.9 1.1 54 54 A G - 0 0 6 116,-2.8 2,-0.3 25,-0.2 115,-0.1 -0.243 12.9-130.4 -85.7-178.0 -25.1 -6.0 4.6 55 55 A T - 0 0 51 -2,-0.1 3,-0.4 113,-0.1 115,-0.1 -0.860 15.5-119.1-130.6 168.1 -27.2 -6.4 7.7 56 56 A K S S+ 0 0 102 -2,-0.3 100,-0.1 1,-0.2 -2,-0.0 0.355 110.4 37.8 -91.0 8.2 -27.5 -4.5 11.0 57 57 A N S S+ 0 0 115 95,-0.1 -1,-0.2 96,-0.1 96,-0.1 0.194 79.1 140.7-140.5 16.5 -26.5 -7.5 13.2 58 58 A K - 0 0 43 -3,-0.4 94,-1.9 93,-0.1 2,-0.7 -0.360 43.3-145.5 -67.5 139.7 -23.8 -9.3 11.2 59 59 A V E -D 151 0A 74 92,-0.2 2,-0.5 93,-0.1 92,-0.2 -0.944 23.4-159.5-105.1 111.7 -20.9 -10.8 13.0 60 60 A I E -D 150 0A 0 90,-2.5 90,-2.8 -2,-0.7 2,-0.4 -0.836 6.5-159.7-102.7 129.1 -18.0 -10.3 10.7 61 61 A N E +D 149 0A 60 129,-2.9 129,-2.0 -2,-0.5 2,-0.3 -0.829 14.6 171.6-106.0 143.0 -14.7 -12.3 10.9 62 62 A F E +DE 148 189A 7 86,-2.4 86,-2.8 -2,-0.4 2,-0.3 -0.993 5.6 168.8-146.9 149.6 -11.4 -11.3 9.4 63 63 A S E + E 0 188A 58 125,-1.3 125,-2.8 -2,-0.3 2,-0.3 -0.978 23.7 89.2-155.8 149.9 -7.9 -12.4 9.4 64 64 A G E - E 0 187A 35 82,-0.5 2,-0.5 -2,-0.3 123,-0.2 -0.985 67.2 -50.8 161.7-162.7 -4.7 -11.7 7.6 65 65 A S E - E 0 186A 90 121,-1.8 121,-2.4 -2,-0.3 2,-0.5 -0.917 40.6-174.8-109.7 130.3 -1.5 -9.7 7.3 66 66 A Y E + E 0 185A 23 -2,-0.5 119,-0.2 119,-0.2 -2,-0.1 -0.950 10.0 167.1-130.3 109.6 -1.8 -5.9 7.3 67 67 A N E - E 0 184A 91 117,-3.1 117,-1.5 -2,-0.5 2,-0.2 -0.649 10.4-179.4-125.5 75.5 1.4 -3.9 6.6 68 68 A P E - E 0 183A 27 0, 0.0 2,-0.4 0, 0.0 115,-0.3 -0.505 16.9-162.1 -77.9 144.5 0.7 -0.2 5.9 69 69 A N E S- E 0 182A 93 113,-3.0 113,-1.5 -2,-0.2 2,-0.3 -0.694 72.2 -25.2-121.8 71.9 3.6 2.2 5.2 70 70 A G S S+ 0 0 18 -2,-0.4 25,-1.5 111,-0.2 2,-0.6 -0.935 119.7 13.1 126.6-148.2 1.8 5.4 5.9 71 71 A N S S+ 0 0 31 108,-0.4 108,-2.3 -2,-0.3 2,-0.3 -0.543 80.0 125.3 -73.0 114.0 -1.8 6.5 5.7 72 72 A S E -I 178 0B 0 -2,-0.6 22,-2.4 106,-0.2 2,-0.3 -0.974 37.5-151.8-164.9 152.5 -4.1 3.4 5.6 73 73 A Y E -IJ 177 93B 20 104,-2.1 104,-2.5 -2,-0.3 2,-0.4 -0.934 8.4-156.0-130.5 156.2 -7.0 1.8 7.4 74 74 A L E +IJ 176 92B 0 18,-2.5 17,-2.6 -2,-0.3 18,-1.5 -0.981 40.7 147.9-128.9 112.6 -8.4 -1.7 7.9 75 75 A S E -IJ 175 90B 3 100,-2.2 100,-3.0 -2,-0.4 2,-0.6 -0.970 60.6-109.0-144.9 148.7 -12.1 -1.5 8.7 76 76 A V E -IJ 174 89B 1 13,-2.3 13,-2.6 -2,-0.3 2,-0.4 -0.814 58.5-176.5 -68.5 125.9 -15.4 -3.0 8.5 77 77 A Y E +IJ 173 88B 9 96,-3.4 96,-3.2 -2,-0.6 2,-0.3 -0.987 14.9 126.0-137.5 141.3 -16.8 -0.5 5.9 78 78 A G E -IJ 172 87B 0 9,-1.9 9,-2.8 -2,-0.4 2,-0.3 -0.970 35.1-116.7-171.9-173.3 -20.1 0.1 4.2 79 79 A W E - 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