==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-02 1M4W . COMPND 2 MOLECULE: ENDOXYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPOLYSPORA FLEXUOSA; . AUTHOR N.HAKULINEN,O TURUNEN,J.JANIS,M.LEISOLA,J.ROUVINEN . 197 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 48.7 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 1.0 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 . 21 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 2 1 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 D 0 0 147 0, 0.0 30,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.1 -13.0 18.5 20.0 2 2 A T + 0 0 80 1,-0.2 29,-2.5 28,-0.1 2,-0.9 0.792 360.0 61.7 -52.1 -34.1 -13.5 20.3 16.7 3 3 A T E S-A 30 0A 79 27,-0.2 2,-0.4 25,-0.1 27,-0.2 -0.838 79.3-164.7-100.4 101.9 -9.8 21.3 16.5 4 4 A I E +A 29 0A 3 25,-3.3 25,-2.3 -2,-0.9 3,-0.1 -0.710 30.0 152.4 -92.1 133.9 -7.9 18.1 16.4 5 5 A T + 0 0 60 -2,-0.4 20,-0.4 23,-0.2 2,-0.3 0.307 60.2 68.7-136.2 -1.8 -4.1 18.0 17.0 6 6 A Q S S- 0 0 127 18,-0.1 13,-0.1 19,-0.1 -1,-0.0 -0.890 101.5 -79.1-121.1 151.5 -3.7 14.4 18.3 7 7 A N S S+ 0 0 98 -2,-0.3 2,-0.3 14,-0.2 13,-0.2 -0.266 73.4 147.0 -48.2 125.4 -4.1 11.1 16.6 8 8 A Q E -F 19 0B 67 11,-2.2 11,-2.7 -4,-0.1 2,-0.3 -0.982 30.4-174.5-165.2 149.6 -7.9 10.6 16.4 9 9 A T E +F 18 0B 84 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.903 27.8 117.0-139.5 166.6 -10.7 9.1 14.4 10 10 A G E -F 17 0B 16 7,-2.1 7,-2.5 -2,-0.3 2,-0.4 -0.991 55.7 -63.9 165.2-161.1 -14.4 9.3 14.8 11 11 A Y E -F 16 0B 145 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.980 33.3-178.5-127.9 136.4 -17.7 10.4 13.3 12 12 A D E > S-F 15 0B 33 3,-3.0 3,-1.8 -2,-0.4 20,-0.1 -0.945 74.5 -22.5-137.8 112.8 -18.9 14.0 12.7 13 13 A N T 3 S- 0 0 95 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.819 129.7 -46.6 58.7 32.5 -22.3 14.7 11.3 14 14 A G T 3 S+ 0 0 58 1,-0.3 2,-0.4 21,-0.0 -1,-0.3 0.215 117.9 108.4 97.2 -16.3 -22.6 11.3 9.8 15 15 A Y E < -F 12 0B 47 -3,-1.8 -3,-3.0 19,-0.3 -1,-0.3 -0.793 66.1-129.0-101.5 138.6 -19.1 11.2 8.2 16 16 A F E -FG 11 52B 17 36,-2.3 36,-3.3 -2,-0.4 2,-0.3 -0.482 30.7-169.2 -74.7 150.9 -16.1 9.2 9.5 17 17 A Y E -FG 10 51B 13 -7,-2.5 -7,-2.1 34,-0.3 2,-0.3 -0.991 10.1-166.7-144.0 151.7 -13.0 11.2 10.0 18 18 A S E -FG 9 50B 6 32,-2.1 32,-1.7 -2,-0.3 2,-0.4 -0.999 4.2-174.6-141.6 141.6 -9.3 10.4 10.7 19 19 A F E +FG 8 49B 2 -11,-2.7 -11,-2.2 -2,-0.3 2,-0.3 -0.995 14.0 159.6-137.5 129.2 -6.3 12.4 11.8 20 20 A W E + G 0 48B 72 28,-1.5 28,-2.1 -2,-0.4 2,-0.3 -0.988 2.2 160.4-151.1 140.0 -2.8 11.2 12.1 21 21 A T E - G 0 47B 9 -2,-0.3 26,-0.2 26,-0.2 -14,-0.2 -0.982 34.4-151.2-157.3 149.6 0.6 12.8 12.2 22 22 A D S S+ 0 0 94 24,-1.9 25,-0.1 -2,-0.3 -1,-0.0 0.225 90.6 69.6-103.5 11.4 4.2 11.9 13.3 23 23 A A S > S- 0 0 16 23,-0.5 3,-1.7 4,-0.0 4,-0.2 -0.651 75.3-154.5-133.7 78.4 4.8 15.6 14.0 24 24 A P T 3 S+ 0 0 100 0, 0.0 -18,-0.1 0, 0.0 -2,-0.0 -0.187 78.5 17.5 -52.8 134.8 2.9 16.9 17.1 25 25 A G T 3 S+ 0 0 75 -20,-0.4 3,-0.1 2,-0.4 -19,-0.1 0.429 103.2 89.1 83.5 -0.4 2.2 20.6 17.1 26 26 A T S < S+ 0 0 36 -3,-1.7 16,-2.2 1,-0.2 2,-0.3 0.463 90.9 27.2-106.8 -3.1 2.9 21.2 13.4 27 27 A V E - B 0 41A 8 -4,-0.2 -2,-0.4 14,-0.2 2,-0.3 -0.989 56.3-173.0-159.7 147.3 -0.7 20.5 12.1 28 28 A S E - B 0 40A 30 12,-2.1 12,-1.7 -2,-0.3 2,-0.4 -0.961 11.9-148.6-139.8 156.8 -4.3 20.7 13.1 29 29 A M E -AB 4 39A 0 -25,-2.3 -25,-3.3 -2,-0.3 2,-0.5 -0.992 8.8-157.0-127.5 133.4 -7.6 19.7 11.6 30 30 A T E -AB 3 38A 39 8,-2.7 8,-2.3 -2,-0.4 2,-0.5 -0.954 9.9-146.0-115.5 120.7 -10.9 21.5 12.2 31 31 A L E - B 0 37A 9 -29,-2.5 6,-0.2 -2,-0.5 2,-0.2 -0.720 20.2-173.2 -87.8 127.3 -14.2 19.7 11.8 32 32 A H - 0 0 65 4,-2.3 4,-0.2 -2,-0.5 -1,-0.0 -0.530 35.5 -68.8-109.4 178.0 -17.1 21.7 10.4 33 33 A S S > S+ 0 0 98 -2,-0.2 3,-1.2 2,-0.1 -1,-0.2 -0.219 101.3 0.6 -64.5 158.1 -20.8 21.0 9.9 34 34 A G T 3 S- 0 0 37 1,-0.2 -19,-0.3 -3,-0.1 -22,-0.1 -0.397 130.9 -27.8 66.1-134.5 -21.9 18.5 7.2 35 35 A G T 3 S+ 0 0 9 -2,-0.1 153,-2.1 -21,-0.1 2,-0.3 -0.071 107.0 113.8-107.5 33.0 -19.0 16.9 5.3 36 36 A S E < + C 0 187A 27 -3,-1.2 -4,-2.3 151,-0.2 2,-0.3 -0.758 30.2 156.0-108.7 152.4 -16.6 19.8 5.7 37 37 A Y E -BC 31 186A 0 149,-1.7 149,-2.7 -2,-0.3 2,-0.3 -0.965 21.8-144.4-160.7 164.1 -13.2 20.2 7.5 38 38 A S E -BC 30 185A 21 -8,-2.3 -8,-2.7 -2,-0.3 2,-0.3 -0.916 6.5-159.8-134.2 160.4 -10.1 22.3 7.3 39 39 A T E -BC 29 184A 6 145,-2.8 145,-2.3 -2,-0.3 2,-0.3 -0.974 5.7-175.3-139.4 153.8 -6.4 21.8 7.9 40 40 A S E +BC 28 183A 56 -12,-1.7 -12,-2.1 -2,-0.3 2,-0.3 -0.957 14.2 167.2-149.6 127.5 -3.5 24.1 8.6 41 41 A W E -BC 27 182A 4 141,-2.9 141,-2.6 -2,-0.3 2,-0.3 -0.969 17.1-163.7-143.6 159.1 0.1 23.0 8.9 42 42 A R S S- 0 0 189 -16,-2.2 139,-0.3 -2,-0.3 137,-0.1 -0.942 73.4 -23.5-148.8 122.3 3.6 24.5 9.0 43 43 A N S S+ 0 0 135 -2,-0.3 138,-0.2 1,-0.1 -16,-0.1 0.914 91.0 170.7 41.8 56.4 7.0 22.8 8.4 44 44 A T - 0 0 8 136,-2.3 -1,-0.1 1,-0.2 3,-0.1 -0.191 38.8-134.4 -87.6 179.7 5.4 19.5 9.4 45 45 A G S S- 0 0 17 1,-0.3 134,-3.1 134,-0.2 2,-0.3 0.697 70.3 -39.6 -96.3 -93.7 6.7 15.9 9.2 46 46 A N E + H 0 178B 14 132,-0.2 -24,-1.9 133,-0.1 -23,-0.5 -0.985 65.6 160.1-137.3 146.4 4.0 13.7 7.7 47 47 A F E -GH 21 177B 0 130,-1.5 130,-1.4 -2,-0.3 2,-0.3 -0.979 20.1-162.9-161.8 155.2 0.2 13.7 8.3 48 48 A V E +GH 20 176B 7 -28,-2.1 -28,-1.5 -2,-0.3 2,-0.3 -0.973 21.0 162.1-144.1 128.0 -3.0 12.6 6.7 49 49 A A E +GH 19 175B 0 126,-1.9 126,-2.6 -2,-0.3 2,-0.3 -0.996 10.1 118.7-148.6 147.7 -6.5 13.9 7.6 50 50 A G E -GH 18 174B 0 -32,-1.7 -32,-2.1 -2,-0.3 2,-0.3 -0.961 47.5 -96.5 171.3 171.9 -9.9 13.9 6.1 51 51 A K E +GH 17 173B 0 122,-0.9 122,-2.5 -2,-0.3 -34,-0.3 -0.822 59.7 95.6-110.6 151.8 -13.6 13.0 6.3 52 52 A G E -GH 16 172B 0 -36,-3.3 -36,-2.3 -2,-0.3 2,-0.3 -0.753 68.0 -31.8 174.8-123.7 -15.3 10.1 4.6 53 53 A W E - H 0 171B 12 118,-3.7 118,-3.5 -2,-0.2 3,-0.1 -0.956 30.6-137.2-134.3 149.6 -16.3 6.5 5.5 54 54 A S S S+ 0 0 40 -2,-0.3 2,-0.4 116,-0.3 118,-0.1 0.641 100.7 43.7 -78.7 -15.8 -15.0 3.8 7.8 55 55 A T S S- 0 0 69 116,-0.1 115,-0.2 115,-0.1 -1,-0.2 -0.939 86.6-139.9-132.4 109.2 -15.6 1.1 5.2 56 56 A G + 0 0 8 113,-3.5 2,-0.3 -2,-0.4 112,-0.1 -0.187 29.9 159.2 -65.6 159.8 -14.5 2.0 1.6 57 57 A G - 0 0 21 140,-0.0 2,-1.9 -4,-0.0 94,-0.1 -0.930 57.3 -68.2-162.7-176.5 -16.6 1.0 -1.4 58 58 A R S S+ 0 0 140 -2,-0.3 94,-0.2 93,-0.1 2,-0.1 -0.338 73.8 163.0 -82.5 56.6 -17.2 1.8 -5.1 59 59 A R - 0 0 17 -2,-1.9 92,-1.4 92,-0.1 2,-0.7 -0.384 41.3-136.2 -77.6 155.0 -18.8 5.1 -4.1 60 60 A T E -D 150 0A 69 90,-0.2 131,-1.4 91,-0.1 2,-0.4 -0.947 35.5-172.3-110.4 105.3 -19.4 8.0 -6.5 61 61 A V E -DE 149 190A 0 88,-2.4 88,-3.1 -2,-0.7 2,-0.4 -0.825 18.7-158.7-111.9 145.7 -18.2 11.0 -4.5 62 62 A T E +DE 148 189A 63 127,-2.5 127,-1.7 -2,-0.4 2,-0.3 -0.945 19.2 172.4-117.7 136.4 -18.4 14.8 -5.1 63 63 A Y E -DE 147 188A 5 84,-2.4 84,-2.2 -2,-0.4 2,-0.3 -0.946 19.6-164.5-142.4 161.5 -16.1 17.3 -3.4 64 64 A N E +DE 146 187A 100 123,-2.2 123,-2.5 -2,-0.3 2,-0.3 -0.983 24.3 167.6-145.1 134.4 -15.1 20.9 -3.5 65 65 A A E - E 0 186A 13 80,-2.5 2,-0.6 -2,-0.3 121,-0.2 -0.990 40.9-135.5-154.4 161.2 -12.0 22.4 -1.9 66 66 A S E - E 0 185A 60 119,-2.5 119,-1.8 -2,-0.3 2,-0.5 -0.979 32.9-174.5-111.1 115.9 -9.5 25.2 -1.3 67 67 A F E + E 0 184A 19 -2,-0.6 117,-0.2 117,-0.2 27,-0.1 -0.956 12.2 169.6-121.4 113.2 -6.1 23.6 -1.5 68 68 A N E + E 0 183A 85 115,-2.3 115,-1.2 -2,-0.5 2,-0.2 -0.651 9.9 175.4-124.9 74.8 -3.1 25.8 -0.7 69 69 A P E - E 0 182A 38 0, 0.0 2,-0.4 0, 0.0 113,-0.2 -0.525 19.8-163.6 -80.8 146.9 0.0 23.7 -0.4 70 70 A S E S- E 0 181A 86 111,-2.7 111,-1.7 -2,-0.2 2,-0.3 -0.771 75.1 -22.0-127.5 79.5 3.4 25.4 0.1 71 71 A G S S+ 0 0 21 -2,-0.4 25,-1.5 109,-0.2 2,-0.6 -0.897 122.6 6.5 119.6-148.2 5.6 22.5 -0.8 72 72 A N S S+ 0 0 28 106,-0.4 106,-2.4 -2,-0.3 2,-0.3 -0.619 79.5 125.5 -79.9 114.7 4.8 18.7 -0.8 73 73 A A E -I 177 0B 0 -2,-0.6 22,-1.9 104,-0.3 2,-0.3 -0.972 40.0-140.3-162.3 157.0 1.2 18.0 -0.1 74 74 A Y E -IJ 176 94B 20 102,-3.4 102,-2.1 -2,-0.3 2,-0.6 -0.941 10.6-158.9-128.3 148.6 -1.8 16.1 -1.7 75 75 A L E +IJ 175 93B 0 18,-2.4 17,-2.3 -2,-0.3 18,-1.6 -0.967 49.7 144.6-119.3 104.0 -5.5 16.6 -2.1 76 76 A T E -IJ 174 91B 0 98,-2.5 98,-3.0 -2,-0.6 2,-0.5 -0.992 62.5-110.5-150.8 152.8 -6.6 13.0 -2.7 77 77 A L E -IJ 173 90B 0 13,-2.7 13,-2.0 -2,-0.3 2,-0.4 -0.722 53.1-169.8 -76.9 125.8 -9.3 10.3 -2.2 78 78 A Y E +IJ 172 89B 8 94,-4.0 94,-3.1 -2,-0.5 2,-0.3 -0.954 14.8 146.9-128.4 143.5 -7.4 8.1 0.3 79 79 A G E -IJ 171 88B 0 9,-1.8 9,-2.8 -2,-0.4 2,-0.3 -0.989 29.3-129.7-164.6 172.7 -8.0 4.7 1.7 80 80 A W E - 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