==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-02 1H1A . COMPND 2 MOLECULE: ENDOXYLANASE 11A; . SOURCE 2 ORGANISM_SCIENTIFIC: CHAETOMIUM THERMOPHILUM; . AUTHOR N.HAKULINEN,J.ROUVINEN . 382 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 75.9 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 . 191 50.0 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 1.0 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 0.3 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 . 43 11.3 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 1.0 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 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 . 4 0 0 0 4 8 0 5 3 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 31 0, 0.0 29,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 85.0 -1.4 21.6 15.3 2 2 A T B -AB 29 194A 31 192,-2.6 192,-2.6 27,-0.2 27,-0.2 -0.869 360.0-125.5-101.0 128.4 1.1 24.3 14.4 3 3 A L - 0 0 10 25,-2.7 25,-0.5 -2,-0.5 3,-0.1 -0.455 20.2-171.8 -73.8 145.3 4.5 24.0 15.9 4 4 A T S S+ 0 0 116 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.404 70.6 1.9-115.9 -1.6 5.9 26.9 17.9 5 5 A S S S- 0 0 76 13,-0.0 -1,-0.2 14,-0.0 13,-0.0 -0.943 104.7 -48.6-166.9 176.3 9.5 25.7 18.3 6 6 A S S S+ 0 0 47 -2,-0.3 2,-0.3 14,-0.2 13,-0.2 -0.333 72.9 164.3 -55.3 143.2 11.7 22.7 17.4 7 7 A A E -C 18 0A 18 11,-2.1 11,-2.6 -4,-0.1 2,-0.3 -0.996 28.1-166.9-162.6 160.5 9.8 19.6 18.2 8 8 A T E +C 17 0A 84 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.930 32.1 104.0-144.6 166.3 9.4 15.8 17.7 9 9 A G E -C 16 0A 10 7,-1.4 7,-3.0 -2,-0.3 2,-0.4 -0.964 64.9 -67.3 152.6-161.4 6.8 13.2 18.4 10 10 A T E -C 15 0A 46 -2,-0.3 194,-2.6 5,-0.3 2,-0.4 -0.969 36.9-170.8-126.5 142.7 4.3 11.2 16.4 11 11 A H E > S-CD 14 203A 1 3,-3.5 3,-2.0 -2,-0.4 192,-0.2 -0.972 72.5 -16.4-138.2 121.8 1.2 12.5 14.6 12 12 A N T 3 S- 0 0 36 190,-2.2 191,-0.1 -2,-0.4 3,-0.1 0.838 131.6 -48.5 54.2 36.9 -1.5 10.3 13.0 13 13 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 189,-0.1 -1,-0.3 0.309 119.6 106.1 90.2 -8.8 0.9 7.4 13.2 14 14 A Y E < -C 11 0A 49 -3,-2.0 -3,-3.5 19,-0.3 -1,-0.2 -0.884 69.3-124.6-110.4 135.9 3.8 9.2 11.7 15 15 A Y E -CE 10 51A 26 36,-2.0 36,-2.8 -2,-0.4 2,-0.4 -0.430 30.0-162.4 -69.3 146.4 6.9 10.4 13.5 16 16 A Y E -CE 9 50A 2 -7,-3.0 -7,-1.4 34,-0.2 2,-0.4 -0.994 12.6-176.3-134.8 142.1 7.6 14.1 13.0 17 17 A S E -CE 8 49A 6 32,-1.9 32,-2.2 -2,-0.4 2,-0.4 -0.997 1.3-179.3-137.1 133.2 10.7 16.1 13.5 18 18 A F E -CE 7 48A 8 -11,-2.6 -11,-2.1 -2,-0.4 2,-0.4 -0.986 3.4-178.4-134.4 120.7 11.1 19.8 13.1 19 19 A W E + E 0 47A 89 28,-2.6 28,-2.4 -2,-0.4 2,-0.3 -0.988 9.1 165.0-122.7 129.3 14.4 21.5 13.7 20 20 A T E - E 0 46A 18 -2,-0.4 26,-0.2 26,-0.2 -14,-0.2 -0.988 41.8-139.5-141.8 149.0 14.8 25.3 13.4 21 21 A D - 0 0 55 24,-2.0 25,-0.1 -2,-0.3 3,-0.1 0.232 54.6-114.4 -89.8 13.7 17.4 27.8 14.5 22 22 A G S S+ 0 0 53 23,-0.2 2,-0.2 1,-0.2 4,-0.1 0.397 77.3 120.6 72.1 -1.3 14.5 30.0 15.5 23 23 A Q + 0 0 112 22,-0.2 -1,-0.2 2,-0.1 22,-0.2 -0.475 54.4 14.2 -95.4 164.9 15.3 32.6 12.9 24 24 A G S S- 0 0 34 19,-0.3 2,-0.5 -2,-0.2 18,-0.3 -0.221 99.9 -52.8 72.3-165.9 13.3 34.0 10.0 25 25 A N E + F 0 41A 98 16,-2.9 16,-2.3 19,-0.0 2,-0.3 -0.930 64.9 157.0-113.3 132.4 9.6 33.4 9.5 26 26 A I E - F 0 40A 46 -2,-0.5 2,-0.4 14,-0.2 14,-0.2 -0.975 27.0-172.8-160.0 142.5 8.1 29.9 9.6 27 27 A R E - F 0 39A 149 12,-2.1 12,-1.7 -2,-0.3 2,-0.6 -0.939 12.7-172.0-135.0 107.7 4.9 28.1 10.2 28 28 A F E - F 0 38A 1 -25,-0.5 -25,-2.7 -2,-0.4 2,-0.5 -0.921 11.2-167.2-104.3 120.1 5.2 24.3 10.3 29 29 A N E -AF 2 37A 31 8,-3.2 8,-2.1 -2,-0.6 2,-0.5 -0.927 17.6-142.4-118.4 128.7 1.8 22.5 10.5 30 30 A L E + F 0 36A 3 -29,-2.8 6,-0.2 -2,-0.5 2,-0.2 -0.707 34.2 177.8 -83.4 128.0 1.0 18.9 11.2 31 31 A E - 0 0 59 4,-2.3 4,-0.2 -2,-0.5 -1,-0.0 -0.490 33.3 -39.8-121.9-169.7 -1.9 17.7 9.0 32 32 A S S > S- 0 0 102 -2,-0.2 3,-2.0 2,-0.1 -1,-0.2 -0.163 101.5 -29.5 -55.9 142.1 -4.0 14.7 8.2 33 33 A G T 3 S- 0 0 29 1,-0.3 -19,-0.3 -3,-0.1 -2,-0.1 -0.228 131.0 -14.9 53.0-128.0 -2.4 11.3 8.0 34 34 A G T 3 S+ 0 0 3 156,-0.3 156,-2.6 -21,-0.1 2,-0.3 0.060 110.9 115.2 -95.7 27.6 1.2 11.5 6.9 35 35 A Q E < + G 0 189A 60 -3,-2.0 -4,-2.3 154,-0.3 2,-0.3 -0.690 33.1 166.1-103.2 151.2 0.8 15.1 5.7 36 36 A Y E -FG 30 188A 0 152,-2.0 152,-2.6 -2,-0.3 2,-0.3 -0.967 15.6-155.2-151.8 154.3 2.4 18.3 6.8 37 37 A S E -FG 29 187A 14 -8,-2.1 -8,-3.2 -2,-0.3 2,-0.4 -0.979 8.4-171.1-134.8 149.7 2.6 21.8 5.3 38 38 A V E -FG 28 186A 0 148,-2.6 148,-1.9 -2,-0.3 2,-0.4 -0.999 9.5-170.7-145.9 138.1 5.1 24.6 5.8 39 39 A T E +FG 27 185A 59 -12,-1.7 -12,-2.1 -2,-0.4 2,-0.3 -0.998 23.9 162.8-126.6 131.5 5.3 28.3 4.8 40 40 A W E +FG 26 184A 9 144,-2.5 144,-2.6 -2,-0.4 2,-0.3 -0.957 13.7 156.4-149.1 164.1 8.5 30.2 5.4 41 41 A S E +F 25 0A 46 -16,-2.3 -16,-2.9 -2,-0.3 3,-0.2 -0.941 41.5 54.9-168.6-179.4 10.6 33.2 4.5 42 42 A G S S- 0 0 33 -2,-0.3 2,-0.5 -18,-0.3 -19,-0.0 -0.386 102.2 -37.5 81.4-158.7 13.3 35.4 5.9 43 43 A N S S+ 0 0 97 138,-0.1 -19,-0.3 -2,-0.1 2,-0.2 -0.436 84.8 140.2-106.9 59.8 16.7 34.3 7.2 44 44 A G - 0 0 6 -2,-0.5 137,-2.8 138,-0.4 2,-0.4 -0.547 42.5-149.6-101.9 166.3 16.0 30.9 8.8 45 45 A N E + H 0 180A 34 135,-0.2 -24,-2.0 -22,-0.2 2,-0.3 -0.973 40.5 139.8-131.7 112.0 17.7 27.6 9.0 46 46 A W E -EH 20 179A 6 133,-2.3 133,-2.6 -2,-0.4 2,-0.3 -0.996 29.8-173.3-155.8 158.9 15.3 24.7 9.4 47 47 A V E +EH 19 178A 5 -28,-2.4 -28,-2.6 -2,-0.3 2,-0.3 -0.957 22.3 149.1-154.0 131.8 14.4 21.1 8.4 48 48 A G E +EH 18 177A 0 129,-2.3 129,-2.4 -2,-0.3 2,-0.3 -0.995 2.6 131.9-160.5 162.4 11.3 19.1 9.2 49 49 A G E -EH 17 176A 0 -32,-2.2 -32,-1.9 -2,-0.3 2,-0.3 -0.991 43.2 -80.2 174.1-173.8 9.0 16.4 8.0 50 50 A K E +EH 16 175A 0 125,-1.1 125,-2.8 -2,-0.3 -34,-0.2 -0.882 60.3 96.6-118.1 149.1 7.1 13.2 8.7 51 51 A G E -EH 15 174A 0 -36,-2.8 -36,-2.0 -2,-0.3 2,-0.3 -0.715 63.7 -41.4 179.5-123.3 8.2 9.6 8.6 52 52 A W E - H 0 173A 59 121,-3.2 121,-2.8 -2,-0.2 3,-0.2 -0.924 35.9-127.6-139.4 159.7 9.4 7.0 11.0 53 53 A N S S+ 0 0 76 1,-0.4 119,-0.2 -2,-0.3 2,-0.1 -0.839 98.2 28.5-155.2 114.8 11.6 6.5 14.1 54 54 A P S S- 0 0 80 0, 0.0 -1,-0.4 0, 0.0 118,-0.2 0.492 91.8-143.4 -78.6 160.5 13.6 4.4 13.9 55 55 A G - 0 0 5 116,-2.9 2,-0.3 25,-0.2 115,-0.2 -0.313 16.8-138.4 -76.3 171.1 14.2 4.3 10.2 56 56 A T > - 0 0 56 1,-0.1 3,-0.7 -2,-0.0 97,-0.1 -0.935 16.1-122.3-133.3 157.8 14.9 0.9 8.6 57 57 A D T 3 S+ 0 0 61 -2,-0.3 100,-0.2 1,-0.2 101,-0.2 0.741 110.1 35.4 -68.6 -25.9 17.3 -0.4 5.9 58 58 A N T 3 S+ 0 0 118 95,-0.1 -1,-0.2 96,-0.1 2,-0.1 0.187 78.2 139.1-117.8 19.1 14.5 -1.7 3.6 59 59 A R < - 0 0 55 -3,-0.7 94,-1.7 93,-0.1 2,-0.6 -0.378 40.4-150.3 -65.7 138.8 11.8 0.9 4.0 60 60 A V E -I 152 0A 85 92,-0.2 2,-0.4 93,-0.1 92,-0.2 -0.945 15.4-157.7-113.0 109.4 10.1 1.7 0.7 61 61 A I E -I 151 0A 0 90,-2.8 90,-3.4 -2,-0.6 2,-0.4 -0.731 12.7-173.5 -95.4 133.8 8.8 5.3 0.8 62 62 A N E +I 150 0A 78 -2,-0.4 129,-2.9 88,-0.3 2,-0.3 -0.987 20.4 159.1-121.8 131.7 6.0 6.6 -1.4 63 63 A Y E -IJ 149 190A 6 86,-2.6 86,-2.6 -2,-0.4 2,-0.3 -0.959 27.3-155.3-149.0 165.6 5.2 10.3 -1.2 64 64 A T E -IJ 148 189A 83 125,-1.8 125,-2.7 -2,-0.3 2,-0.3 -0.957 18.6-175.7-139.0 152.9 3.7 13.3 -3.0 65 65 A A E - J 0 188A 19 82,-1.3 2,-0.8 -2,-0.3 123,-0.2 -0.985 33.0-150.6-158.5 145.1 4.4 16.9 -2.7 66 66 A D E - J 0 187A 77 121,-2.7 121,-1.8 -2,-0.3 2,-0.6 -0.927 39.2-178.2-110.9 95.3 3.4 20.4 -3.8 67 67 A Y E + J 0 186A 22 -2,-0.8 119,-0.2 119,-0.2 -2,-0.1 -0.899 17.8 167.7-108.5 117.9 6.9 21.9 -3.4 68 68 A R E + J 0 185A 154 117,-2.4 117,-1.3 -2,-0.6 2,-0.1 -0.634 14.6 172.2-130.6 76.4 7.5 25.7 -4.2 69 69 A P E - J 0 184A 42 0, 0.0 2,-0.3 0, 0.0 115,-0.2 -0.405 20.6-164.2 -84.5 159.6 10.9 26.8 -2.9 70 70 A N E - J 0 183A 107 113,-1.9 113,-1.8 -2,-0.1 2,-0.3 -0.794 67.6 -11.0-143.7 92.9 12.7 30.2 -3.5 71 71 A G E S- 0 0 16 -2,-0.3 25,-2.2 111,-0.2 2,-0.9 -0.897 120.7 -0.6 118.9-149.6 16.4 30.0 -2.7 72 72 A N E S+ J 0 180A 34 108,-0.6 108,-2.3 -2,-0.3 2,-0.3 -0.703 83.9 133.9 -83.9 105.6 18.3 27.3 -1.0 73 73 A S E - J 0 179A 0 -2,-0.9 22,-2.1 106,-0.2 2,-0.3 -0.983 35.5-153.6-149.5 153.0 15.8 24.5 -0.1 74 74 A Y E -KJ 94 178A 17 104,-1.9 104,-2.4 -2,-0.3 2,-0.5 -0.956 10.8-160.3-130.6 151.5 15.6 20.7 -0.4 75 75 A L E +KJ 93 177A 1 18,-2.5 17,-2.1 -2,-0.3 18,-1.8 -0.996 46.9 133.5-124.5 115.8 12.8 18.2 -0.6 76 76 A A E -KJ 91 176A 4 100,-2.9 100,-3.0 -2,-0.5 2,-0.4 -0.999 65.9 -95.3-164.5 158.5 14.4 14.9 0.4 77 77 A V E -KJ 90 175A 0 13,-2.0 13,-2.3 -2,-0.3 2,-0.4 -0.673 56.0-174.4 -74.4 134.9 14.3 11.7 2.4 78 78 A Y E +KJ 89 174A 7 96,-3.5 96,-3.2 -2,-0.4 2,-0.3 -0.998 14.8 131.1-140.8 139.4 16.3 12.8 5.5 79 79 A G E -KJ 88 173A 0 9,-1.8 9,-2.9 -2,-0.4 2,-0.3 -0.971 34.0-120.0-169.0-177.8 17.6 10.9 8.6 80 80 A W E -K 87 0A 7 92,-1.7 91,-3.0 -2,-0.3 2,-0.3 -0.917 9.2-164.0-137.1 162.1 20.3 10.1 11.0 81 81 A T E > -KJ 86 170A 0 5,-1.7 5,-1.9 -2,-0.3 2,-0.3 -0.911 15.2-140.7-137.7 161.9 22.3 7.1 12.3 82 82 A R E 5S+ J 0 169A 124 87,-2.1 87,-3.0 -2,-0.3 3,-0.3 -0.952 71.0 52.6-126.9 149.1 24.5 6.7 15.4 83 83 A N T 5S+ 0 0 143 -2,-0.3 -1,-0.2 85,-0.2 2,-0.1 0.974 129.5 30.2 52.3 67.7 27.8 4.9 15.8 84 84 A P T 5S- 0 0 52 0, 0.0 2,-0.6 0, 0.0 84,-0.5 0.487 107.5-137.5 -83.3 157.5 28.7 6.3 13.4 85 85 A L T 5 + 0 0 20 -3,-0.3 51,-0.7 49,-0.1 2,-0.4 -0.671 37.1 167.8 -76.7 117.7 26.8 9.6 13.7 86 86 A I E < -Kl 81 136A 3 -5,-1.9 -5,-1.7 -2,-0.6 2,-0.5 -0.998 31.2-155.1-139.0 139.0 25.7 10.3 10.2 87 87 A E E -Kl 80 137A 16 49,-1.8 51,-1.8 -2,-0.4 2,-0.3 -0.962 28.7-170.4-109.8 123.8 23.2 12.8 8.7 88 88 A Y E -Kl 79 138A 0 -9,-2.9 -9,-1.8 -2,-0.5 2,-0.3 -0.884 13.4-168.7-124.9 156.2 21.9 11.5 5.3 89 89 A Y E -Kl 78 139A 6 49,-2.2 51,-1.2 -2,-0.3 2,-0.5 -0.991 19.7-165.7-140.0 145.0 19.8 12.8 2.4 90 90 A V E -Kl 77 140A 0 -13,-2.3 -13,-2.0 -2,-0.3 2,-0.7 -0.913 31.8-151.4-125.4 94.9 18.1 11.4 -0.7 91 91 A V E +Kl 76 141A 0 49,-2.8 51,-2.4 -2,-0.5 -15,-0.2 -0.635 27.4 169.5 -78.2 113.4 17.5 14.7 -2.6 92 92 A E E S- 0 0 2 -17,-2.1 54,-2.3 -2,-0.7 2,-0.3 0.792 72.3 -4.0 -89.0 -35.9 14.5 14.5 -4.8 93 93 A S E -K 75 0A 11 -18,-1.8 -18,-2.5 52,-0.2 -1,-0.3 -0.985 65.2-179.8-154.7 157.1 14.4 18.3 -5.5 94 94 A F E -K 74 0A 27 -2,-0.3 -20,-0.2 -20,-0.2 4,-0.1 -0.950 19.0-126.6-153.3 171.4 16.3 21.4 -4.5 95 95 A G - 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