==== 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 3AKT . 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) . 16045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 74.7 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 . 38 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 5.3 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 99 0, 0.0 28,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.1 -7.6 -12.2 -10.2 2 2 A T E +A 28 0A 90 26,-0.3 2,-0.3 24,-0.0 26,-0.2 -0.590 360.0 175.0 -65.4 126.9 -5.9 -8.9 -10.4 3 3 A I E -A 27 0A 39 24,-2.3 24,-0.6 -2,-0.4 3,-0.1 -0.897 31.6-120.3-133.5 159.0 -8.6 -6.3 -11.4 4 4 A Q - 0 0 144 -2,-0.3 13,-0.1 1,-0.2 22,-0.0 -0.379 65.9 -52.3 -82.7 174.5 -9.1 -2.7 -12.0 5 5 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.125 86.1 105.1 -51.0 145.1 -11.8 -0.8 -10.0 6 6 A G E -F 17 0B 32 11,-2.2 11,-2.3 -3,-0.1 2,-0.3 -0.920 55.2-111.5 163.3 175.6 -15.3 -2.3 -10.1 7 7 A T E +F 16 0B 91 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.906 47.3 110.8-131.0 161.1 -17.8 -4.2 -8.0 8 8 A G E -F 15 0B 15 7,-1.8 7,-2.5 -2,-0.3 2,-0.4 -0.978 59.2 -64.7 168.2-158.7 -19.2 -7.7 -8.3 9 9 A Y E -F 14 0B 154 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.973 36.9-179.7-127.8 139.2 -19.3 -11.1 -6.8 10 10 A N E > -F 13 0B 25 3,-3.1 3,-1.7 -2,-0.4 20,-0.1 -0.962 68.1 -21.9-144.2 120.4 -16.4 -13.6 -6.4 11 11 A N T 3 S- 0 0 98 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.806 129.5 -42.5 50.6 39.9 -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 0.377 120.9 95.5 94.2 -3.4 -19.6 -16.3 -2.8 13 13 A Y E < S-F 10 0B 51 -3,-1.7 -3,-3.1 19,-0.3 -1,-0.2 -0.923 70.0-123.0-125.5 142.8 -18.7 -12.8 -1.6 14 14 A F E -FG 9 50B 10 36,-2.3 36,-2.8 -2,-0.4 2,-0.3 -0.497 31.9-166.7 -69.6 147.4 -19.4 -9.3 -2.8 15 15 A Y E -FG 8 49B 39 -7,-2.5 -7,-1.8 34,-0.2 2,-0.4 -0.990 13.4-172.1-136.3 148.9 -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 -0.977 4.3 178.3-137.0 131.3 -15.9 -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 -0.990 12.3 165.8-132.4 122.6 -12.6 -1.9 -5.4 18 18 A W E + G 0 46B 101 28,-2.8 28,-2.7 -2,-0.4 2,-0.3 -0.971 6.9 174.4-136.0 147.6 -12.5 1.8 -6.0 19 19 A N E - G 0 45B 29 -2,-0.3 26,-0.2 26,-0.2 4,-0.1 -0.964 40.2-113.7-148.4 166.9 -9.7 4.3 -6.4 20 20 A D - 0 0 59 24,-2.1 25,-0.1 -2,-0.3 3,-0.1 0.287 67.3 -90.6 -84.7 9.3 -9.2 8.0 -7.3 21 21 A G S S+ 0 0 63 1,-0.4 2,-0.1 23,-0.2 24,-0.1 0.163 89.2 124.9 103.4 -19.9 -7.5 7.4 -10.6 22 22 A H - 0 0 100 22,-0.2 -1,-0.4 1,-0.1 21,-0.3 -0.467 54.6-131.1 -74.1 147.5 -4.0 7.3 -9.3 23 23 A G S S+ 0 0 56 1,-0.2 20,-0.3 -2,-0.1 -1,-0.1 -0.008 70.6 85.2 -83.9-167.1 -1.9 4.3 -10.1 24 24 A G + 0 0 37 1,-0.2 16,-2.7 18,-0.1 2,-0.4 0.284 64.2 114.2 96.1 -9.5 0.2 2.1 -7.8 25 25 A V E - B 0 39A 17 -3,-0.3 2,-0.5 14,-0.2 -1,-0.2 -0.816 41.2-171.6-103.4 134.7 -2.5 -0.2 -6.5 26 26 A T E - B 0 38A 62 12,-2.4 12,-2.2 -2,-0.4 2,-0.5 -0.939 10.4-177.5-122.7 104.0 -2.7 -3.9 -7.2 27 27 A Y E -AB 3 37A 1 -24,-0.6 -24,-2.3 -2,-0.5 2,-0.4 -0.905 3.5-177.9-105.1 129.6 -6.0 -5.4 -6.0 28 28 A T E -AB 2 36A 32 8,-2.8 8,-2.4 -2,-0.5 2,-0.3 -0.988 19.1-143.7-133.6 127.1 -6.5 -9.1 -6.4 29 29 A N E - B 0 35A 6 -28,-2.1 6,-0.3 -2,-0.4 3,-0.1 -0.687 26.4-176.5 -85.6 140.9 -9.5 -11.3 -5.6 30 30 A G - 0 0 12 4,-2.9 4,-0.1 -2,-0.3 -1,-0.0 -0.521 35.9 -47.3-122.7-168.8 -8.7 -14.8 -4.2 31 31 A P S > S- 0 0 106 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 -0.216 103.3 -20.1 -61.7 153.1 -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 -0.178 133.4 -16.8 50.1-129.3 -13.5 -17.7 -0.9 33 33 A G T 3 S+ 0 0 5 156,-0.3 156,-2.4 -21,-0.1 2,-0.3 0.102 105.9 122.7 -95.3 25.3 -13.5 -14.4 1.0 34 34 A Q E < + C 0 188A 41 -3,-2.3 -4,-2.9 154,-0.3 2,-0.3 -0.621 27.1 159.3 -93.3 144.1 -9.9 -13.6 0.3 35 35 A F E -BC 29 187A 0 152,-2.3 152,-2.7 -2,-0.3 2,-0.3 -0.969 18.9-155.1-151.8 155.9 -8.4 -10.5 -1.3 36 36 A S E -BC 28 186A 34 -8,-2.4 -8,-2.8 -2,-0.3 2,-0.4 -0.987 3.7-167.9-135.7 147.2 -5.0 -8.9 -1.4 37 37 A V E +BC 27 185A 1 148,-2.5 148,-1.7 -2,-0.3 2,-0.5 -0.978 5.2 179.8-138.0 122.3 -4.0 -5.3 -2.0 38 38 A N E -BC 26 184A 74 -12,-2.2 -12,-2.4 -2,-0.4 2,-0.4 -0.992 13.1-174.5-121.5 126.8 -0.4 -4.3 -2.6 39 39 A W E -BC 25 183A 2 144,-2.8 144,-2.5 -2,-0.5 2,-0.5 -0.976 18.7-170.0-132.9 140.0 0.2 -0.6 -3.2 40 40 A S S S- 0 0 67 -16,-2.7 142,-0.2 -2,-0.4 -2,-0.0 -0.952 80.6 -26.0-126.4 108.0 3.2 1.5 -4.1 41 41 A N S S+ 0 0 135 -2,-0.5 141,-0.2 140,-0.1 -1,-0.1 0.963 90.6 173.0 52.8 59.3 2.7 5.2 -3.9 42 42 A S - 0 0 5 139,-2.5 -18,-0.1 -18,-0.2 -19,-0.1 -0.174 30.8-132.7 -80.7 177.6 -1.0 5.1 -4.5 43 43 A G - 0 0 0 -21,-0.3 137,-1.8 -20,-0.3 2,-0.5 0.093 65.7 -40.0 -93.5-134.7 -3.6 7.8 -4.3 44 44 A N E S+ H 0 179B 24 135,-0.3 -24,-2.1 136,-0.1 2,-0.3 -0.823 72.7 160.8 -93.0 131.6 -6.8 7.2 -2.4 45 45 A F E -GH 19 178B 1 133,-2.0 133,-2.1 -2,-0.5 2,-0.3 -0.986 23.3-165.9-146.9 157.9 -8.3 3.6 -2.8 46 46 A V E +GH 18 177B 6 -28,-2.7 -28,-2.8 -2,-0.3 2,-0.3 -0.962 20.7 159.5-144.9 122.9 -10.7 1.4 -1.0 47 47 A G E +GH 17 176B 0 129,-2.3 129,-2.8 -2,-0.3 2,-0.3 -0.999 9.7 108.6-149.8 144.1 -11.1 -2.4 -1.7 48 48 A G E -GH 16 175B 0 -32,-1.9 -32,-2.1 -2,-0.3 2,-0.3 -0.984 45.6 -90.2 173.0-175.8 -12.4 -5.5 -0.0 49 49 A K E +GH 15 174B 0 125,-0.9 125,-2.5 -2,-0.3 -34,-0.2 -0.814 52.6 97.1-121.9 158.4 -14.9 -8.3 0.2 50 50 A G E -GH 14 173B 0 -36,-2.8 -36,-2.3 -2,-0.3 2,-0.3 -0.778 62.7 -28.8 172.5-122.0 -18.2 -8.9 2.0 51 51 A W E - H 0 172B 47 121,-3.0 121,-2.5 -2,-0.2 3,-0.2 -0.943 36.5-128.7-137.1 151.0 -21.9 -8.7 1.3 52 52 A Q S S+ 0 0 61 1,-0.4 119,-0.2 -2,-0.3 2,-0.1 -0.925 102.7 19.0-138.8 107.2 -24.4 -6.8 -0.8 53 53 A P S S- 0 0 81 0, 0.0 -1,-0.4 0, 0.0 118,-0.2 0.631 89.1-152.7 -89.7 167.3 -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 -0.228 12.8-131.5 -84.5-177.6 -25.1 -5.9 4.6 55 55 A T - 0 0 51 -2,-0.1 3,-0.4 113,-0.1 115,-0.1 -0.866 15.9-118.5-132.1 168.6 -27.3 -6.3 7.7 56 56 A K S S+ 0 0 101 -2,-0.3 100,-0.1 1,-0.2 -2,-0.0 0.348 110.5 38.1 -91.7 8.6 -27.5 -4.5 11.0 57 57 A N S S+ 0 0 116 95,-0.1 -1,-0.2 96,-0.1 96,-0.1 0.202 78.8 140.4-140.0 15.3 -26.6 -7.5 13.1 58 58 A K - 0 0 44 -3,-0.4 94,-2.0 93,-0.1 2,-0.7 -0.351 43.0-146.1 -67.2 139.8 -23.9 -9.3 11.1 59 59 A V E -D 151 0A 73 92,-0.2 2,-0.5 93,-0.1 92,-0.2 -0.949 23.4-159.3-105.6 111.9 -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 -0.837 7.0-159.6-103.0 128.6 -18.0 -10.3 10.6 61 61 A N E +D 149 0A 61 129,-2.9 129,-1.9 -2,-0.5 2,-0.3 -0.823 14.9 171.0-105.5 142.4 -14.8 -12.3 10.8 62 62 A F E +DE 148 189A 7 86,-2.4 86,-2.7 -2,-0.4 2,-0.3 -0.988 4.3 167.9-146.8 154.2 -11.5 -11.2 9.3 63 63 A S E + E 0 188A 57 125,-1.1 125,-2.7 -2,-0.3 2,-0.3 -0.971 23.5 86.3-163.3 150.6 -7.9 -12.4 9.4 64 64 A G E - E 0 187A 37 82,-0.3 2,-0.4 -2,-0.3 123,-0.2 -0.977 68.1 -46.5 154.3-164.4 -4.7 -11.7 7.6 65 65 A S E - E 0 186A 90 121,-1.9 121,-2.4 -2,-0.3 2,-0.4 -0.903 39.7-174.1-109.3 133.2 -1.6 -9.7 7.2 66 66 A Y E + E 0 185A 23 -2,-0.4 119,-0.2 119,-0.2 8,-0.0 -0.945 9.7 168.0-134.3 106.4 -1.8 -5.9 7.2 67 67 A N E + E 0 184A 92 117,-3.3 117,-1.4 -2,-0.4 2,-0.2 -0.628 10.3 179.1-122.7 70.4 1.4 -4.0 6.5 68 68 A P E - E 0 183A 31 0, 0.0 2,-0.4 0, 0.0 115,-0.3 -0.510 17.2-163.2 -75.5 141.7 0.7 -0.3 5.9 69 69 A N E S- E 0 182A 96 113,-3.0 113,-1.5 -2,-0.2 2,-0.3 -0.692 72.1 -24.8-120.9 72.1 3.6 2.1 5.2 70 70 A G S S+ 0 0 18 -2,-0.4 25,-1.6 111,-0.2 2,-0.6 -0.937 119.8 12.7 126.8-148.3 1.8 5.4 5.8 71 71 A N S S+ 0 0 31 108,-0.4 108,-2.3 -2,-0.3 2,-0.3 -0.557 79.5 125.3 -74.2 113.8 -1.9 6.5 5.7 72 72 A S E -I 178 0B 0 -2,-0.6 22,-2.4 106,-0.3 2,-0.3 -0.972 37.7-151.2-164.2 153.2 -4.1 3.4 5.5 73 73 A Y E -IJ 177 93B 21 104,-2.1 104,-2.5 -2,-0.3 2,-0.4 -0.937 8.7-155.6-130.7 156.4 -7.1 1.8 7.3 74 74 A L E +IJ 176 92B 0 18,-2.5 17,-2.5 -2,-0.3 18,-1.5 -0.982 41.2 150.0-128.6 109.5 -8.5 -1.7 7.9 75 75 A S E -IJ 175 90B 4 100,-2.2 100,-3.0 -2,-0.4 2,-0.6 -0.960 59.2-112.1-142.2 148.1 -12.1 -1.4 8.6 76 76 A V E -IJ 174 89B 1 13,-2.6 13,-2.8 -2,-0.3 2,-0.4 -0.839 57.8-177.8 -72.1 126.8 -15.4 -3.0 8.4 77 77 A Y E +IJ 173 88B 10 96,-3.2 96,-3.1 -2,-0.6 2,-0.3 -0.991 14.6 125.7-139.5 140.7 -16.8 -0.5 5.9 78 78 A G E -IJ 172 87B 0 9,-1.9 9,-2.9 -2,-0.4 2,-0.3 -0.969 35.3-112.4-172.7-172.2 -20.1 0.1 4.2 79 79 A W E - 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