==== 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, CARBOHYDRATE-BINDING DOMAIN 21-SEP-09 3JXS . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS; . AUTHOR C.DIVNE,T.-C.TAN,H.BRUMER,F.GULLFOT . 498 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 39.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 64 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 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 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 PARALLEL BRIDGES PER LADDER . 7 6 0 1 5 6 6 3 0 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 3 3 0 0 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 M 0 0 186 0, 0.0 2,-1.2 0, 0.0 164,-0.0 0.000 360.0 360.0 360.0 160.4 -26.6 11.3 88.8 2 2 A L - 0 0 143 164,-0.1 164,-1.0 2,-0.0 2,-0.4 -0.730 360.0-167.8 -91.6 93.3 -25.1 8.5 86.8 3 3 A V B -A 165 0A 70 -2,-1.2 162,-0.2 162,-0.2 76,-0.1 -0.688 23.6-160.5 -97.5 135.4 -21.5 9.8 86.7 4 4 A A S S+ 0 0 7 160,-3.1 75,-2.4 -2,-0.4 2,-0.2 0.787 72.8 64.5 -84.1 -28.1 -18.9 8.5 84.5 5 5 A N S S- 0 0 10 159,-0.4 2,-0.4 73,-0.2 3,-0.3 -0.512 78.1-125.3 -97.9 161.3 -15.9 9.7 86.4 6 6 A I S S- 0 0 59 71,-0.5 70,-0.2 21,-0.3 4,-0.1 -0.894 79.6 -2.7-109.1 139.1 -14.7 8.7 89.9 7 7 A N S > S+ 0 0 21 -2,-0.4 3,-1.6 1,-0.1 -1,-0.2 0.890 71.9 166.9 52.3 41.9 -14.0 11.0 92.9 8 8 A G T 3 S+ 0 0 8 1,-0.3 154,-2.3 -3,-0.3 -1,-0.1 0.634 74.4 42.4 -60.8 -24.8 -14.7 14.0 90.8 9 9 A G T 3 S- 0 0 8 152,-0.3 46,-0.3 151,-0.2 -1,-0.3 0.213 107.5-121.5-106.6 10.7 -14.9 16.3 93.9 10 10 A F S X S+ 0 0 0 -3,-1.6 3,-1.5 16,-0.1 46,-0.1 0.589 71.2 134.3 61.9 16.6 -11.9 14.7 95.7 11 11 A E T 3 + 0 0 57 1,-0.3 -1,-0.1 44,-0.1 -3,-0.0 0.697 65.9 57.6 -75.5 -20.1 -14.1 13.8 98.6 12 12 A S T 3 S+ 0 0 79 14,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.604 93.6 86.8 -81.1 -10.1 -12.6 10.3 98.8 13 13 A T S < S- 0 0 9 -3,-1.5 12,-0.1 13,-0.1 3,-0.1 -0.752 79.1-119.5-105.8 133.4 -9.0 11.6 99.2 14 14 A P - 0 0 104 0, 0.0 30,-0.2 0, 0.0 2,-0.1 -0.299 40.8-102.1 -59.8 142.2 -7.2 12.6 102.5 15 15 A A S S+ 0 0 52 28,-0.1 2,-0.2 30,-0.0 30,-0.2 -0.449 74.8 81.4 -66.4 149.1 -6.1 16.2 102.7 16 16 A G E S-B 44 0A 27 28,-2.4 28,-2.6 -2,-0.1 2,-0.1 -0.694 82.4 -48.4 142.1 171.1 -2.4 16.8 102.0 17 17 A V E -B 43 0A 87 26,-0.3 2,-0.6 -2,-0.2 26,-0.3 -0.415 57.4-122.2 -66.1 133.2 0.3 17.3 99.3 18 18 A V + 0 0 17 24,-3.0 24,-0.4 1,-0.2 3,-0.1 -0.720 38.6 164.9 -81.0 124.0 0.1 14.6 96.7 19 19 A T S S+ 0 0 134 -2,-0.6 2,-0.7 1,-0.2 -1,-0.2 0.479 70.0 63.9-109.9 -10.3 3.4 12.7 96.4 20 20 A D > - 0 0 71 1,-0.2 4,-1.9 2,-0.0 5,-0.2 -0.910 65.8-178.6-112.6 92.8 2.0 9.8 94.4 21 21 A L T 4 S+ 0 0 52 -2,-0.7 9,-2.7 1,-0.2 4,-0.2 0.838 76.9 44.3 -68.2 -31.2 1.0 11.6 91.2 22 22 A A T 4 S+ 0 0 51 7,-0.2 -1,-0.2 -3,-0.1 6,-0.1 0.852 133.4 8.8 -79.6 -39.2 -0.4 8.5 89.5 23 23 A E T 4 S+ 0 0 160 6,-0.1 -2,-0.2 3,-0.1 -1,-0.1 0.417 98.6 93.5-129.5 -0.5 -2.4 6.8 92.3 24 24 A G S < S+ 0 0 33 -4,-1.9 2,-0.5 1,-0.2 -3,-0.1 0.677 89.4 47.6 -69.9 -19.9 -2.5 9.2 95.2 25 25 A V S > S- 0 0 2 3,-0.4 3,-1.8 -5,-0.2 -1,-0.2 -0.953 93.6-128.4-125.3 108.6 -5.9 10.7 94.2 26 26 A E T 3 S+ 0 0 118 -2,-0.5 -16,-0.1 1,-0.3 -14,-0.1 -0.264 92.0 19.5 -56.1 138.6 -8.4 8.0 93.3 27 27 A G T 3 S+ 0 0 10 1,-0.2 49,-2.1 49,-0.1 2,-0.3 0.487 114.8 80.7 80.9 6.9 -10.0 8.6 89.9 28 28 A W E < -G 75 0B 3 -3,-1.8 2,-0.4 47,-0.3 -3,-0.4 -0.963 59.0-152.1-143.3 153.8 -7.3 10.9 88.6 29 29 A D E -G 74 0B 61 45,-2.4 45,-2.8 -2,-0.3 2,-0.4 -1.000 15.7-169.2-123.1 126.6 -3.8 10.8 87.2 30 30 A L E +G 73 0B 4 -9,-2.7 2,-0.3 -2,-0.4 43,-0.2 -0.846 16.6 166.4-112.7 139.9 -1.5 13.8 87.9 31 31 A N E -G 72 0B 42 41,-1.4 41,-1.8 -2,-0.4 2,-0.4 -0.990 28.3-144.6-154.9 161.3 1.7 14.1 85.9 32 32 A V E -G 71 0B 30 -2,-0.3 39,-0.2 39,-0.2 38,-0.1 -0.984 27.8-117.3-128.2 133.3 4.3 16.4 85.1 33 33 A G > - 0 0 2 37,-2.6 3,-2.1 -2,-0.4 158,-0.1 -0.200 22.7-120.8 -66.8 146.2 6.1 16.6 81.8 34 34 A S T 3 S+ 0 0 65 156,-2.4 -1,-0.1 1,-0.3 157,-0.1 0.750 111.0 64.3 -63.8 -17.7 9.8 15.9 81.8 35 35 A S T 3 S+ 0 0 17 155,-0.2 2,-0.7 157,-0.1 -1,-0.3 0.532 77.8 96.6 -81.6 -9.6 10.4 19.4 80.3 36 36 A V < + 0 0 14 -3,-2.1 29,-0.2 1,-0.2 -4,-0.0 -0.754 47.8 175.6 -84.6 115.6 9.0 21.1 83.4 37 37 A T S S+ 0 0 133 -2,-0.7 -1,-0.2 27,-0.6 28,-0.1 0.609 71.4 51.7-102.4 -13.4 12.1 22.0 85.4 38 38 A N S S- 0 0 92 26,-0.2 24,-0.4 0, 0.0 -1,-0.2 -0.902 94.5-140.7-118.4 96.5 10.4 23.9 88.3 39 39 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.180 5.0-121.5 -72.4 152.4 7.8 21.4 89.4 40 40 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 21,-0.2 -0.260 18.3-127.0 -76.8 169.1 4.2 22.1 90.4 41 41 A V E - C 0 60A 61 19,-1.9 19,-2.8 -2,-0.1 2,-0.5 -0.985 16.7-162.9-120.0 129.8 2.6 21.2 93.8 42 42 A F E + C 0 59A 3 -2,-0.4 -24,-3.0 -24,-0.4 2,-0.4 -0.963 16.3 173.1-109.9 131.2 -0.6 19.3 93.9 43 43 A E E -BC 17 58A 69 15,-2.4 15,-2.7 -2,-0.5 2,-0.6 -0.986 30.6-140.6-141.1 129.7 -2.5 19.4 97.2 44 44 A V E -BC 16 57A 0 -28,-2.6 -28,-2.4 -2,-0.4 2,-0.5 -0.802 31.4-158.0 -83.7 121.2 -5.9 18.2 98.3 45 45 A L E - C 0 56A 45 11,-2.8 11,-1.9 -2,-0.6 2,-0.7 -0.869 16.2-144.8-106.1 135.4 -7.2 20.9 100.6 46 46 A E E + C 0 55A 125 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.879 44.9 149.5 -91.9 118.5 -9.9 20.5 103.3 47 47 A T > - 0 0 39 7,-2.6 3,-0.6 -2,-0.7 -2,-0.0 -0.995 61.9-134.2-153.5 149.0 -11.8 23.8 103.2 48 48 A S T 3 S+ 0 0 134 -2,-0.3 7,-0.1 1,-0.2 -1,-0.1 0.569 101.7 77.8 -72.9 -12.9 -15.1 25.5 103.8 49 49 A D T 3 + 0 0 76 5,-0.1 -1,-0.2 7,-0.0 5,-0.1 0.095 69.4 120.7 -84.2 23.2 -14.3 27.2 100.4 50 50 A A < - 0 0 19 -3,-0.6 3,-0.1 3,-0.2 6,-0.1 -0.718 58.8-149.2 -93.8 134.2 -15.4 24.1 98.4 51 51 A P S S+ 0 0 53 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.804 93.2 25.5 -64.2 -23.3 -18.2 24.2 95.8 52 52 A E S > S- 0 0 77 3,-0.3 3,-0.7 -43,-0.1 109,-0.1 -0.998 126.1 -30.2-145.4 129.4 -18.9 20.5 96.6 53 53 A G T 3 S- 0 0 54 -2,-0.4 -3,-0.2 1,-0.2 -43,-0.1 -0.288 93.3 -68.0 65.1-147.9 -18.1 18.7 99.8 54 54 A N T 3 S+ 0 0 64 -45,-0.1 -7,-2.6 -5,-0.1 2,-0.4 0.242 104.4 83.1-126.6 14.7 -15.2 20.0 101.8 55 55 A K E < +C 46 0A 23 -3,-0.7 2,-0.3 -46,-0.3 -3,-0.3 -0.938 45.3 172.2-120.9 141.9 -12.2 19.0 99.5 56 56 A V E -C 45 0A 3 -11,-1.9 -11,-2.8 -2,-0.4 2,-0.5 -0.950 31.7-118.2-131.5 159.9 -10.7 20.8 96.5 57 57 A L E -CD 44 159A 0 102,-2.3 102,-2.3 -2,-0.3 2,-0.5 -0.907 25.0-161.1 -98.0 126.0 -7.6 20.2 94.4 58 58 A A E -CD 43 158A 5 -15,-2.7 -15,-2.4 -2,-0.5 2,-0.5 -0.928 2.9-166.7-108.2 127.5 -5.0 23.0 94.5 59 59 A V E -CD 42 157A 0 98,-3.0 98,-2.8 -2,-0.5 2,-0.6 -0.951 2.5-163.3-119.2 110.7 -2.5 23.2 91.7 60 60 A T E -CD 41 156A 38 -19,-2.8 -19,-1.9 -2,-0.5 2,-0.6 -0.857 8.8-154.9-100.2 117.2 0.5 25.5 92.2 61 61 A V E + D 0 155A 0 94,-2.1 93,-2.7 -2,-0.6 94,-0.6 -0.847 22.5 167.4 -98.4 119.9 2.3 26.2 88.9 62 62 A N - 0 0 54 -2,-0.6 2,-0.3 -24,-0.4 -1,-0.1 0.501 68.2 -16.1-110.3 -3.8 5.9 27.2 89.3 63 63 A G - 0 0 13 -25,-0.1 -1,-0.4 86,-0.1 2,-0.2 -0.929 67.0-121.4 168.8 166.3 7.1 26.9 85.7 64 64 A V - 0 0 48 -2,-0.3 -27,-0.6 1,-0.1 -26,-0.2 -0.703 9.2-146.9-126.5 174.6 6.0 25.4 82.5 65 65 A G - 0 0 20 2,-0.4 -1,-0.1 83,-0.3 -29,-0.1 -0.069 48.1 -73.8-116.0-138.4 7.2 22.9 79.8 66 66 A N S S+ 0 0 54 1,-0.1 3,-0.0 -2,-0.1 -2,-0.0 0.654 110.7 43.1 -97.2 -26.2 6.6 22.7 76.1 67 67 A N S > S- 0 0 10 1,-0.1 3,-2.0 176,-0.1 -2,-0.4 -0.937 81.7-120.4-126.7 149.5 3.0 21.7 75.9 68 68 A P G > S+ 0 0 46 0, 0.0 80,-2.4 0, 0.0 3,-1.0 0.842 111.8 58.9 -66.4 -23.4 -0.0 22.9 78.0 69 69 A Y G 3 S+ 0 0 36 1,-0.2 -38,-0.1 77,-0.2 76,-0.1 0.570 72.3 98.1 -81.8 -1.5 -0.6 19.4 79.3 70 70 A D G < S+ 0 0 6 -3,-2.0 -37,-2.6 78,-0.2 2,-0.5 0.686 92.5 39.8 -62.6 -13.5 2.8 19.2 80.8 71 71 A I E < S+G 32 0B 0 -3,-1.0 76,-2.8 -39,-0.2 77,-0.8 -0.987 93.5 148.2-125.2 116.6 1.1 20.1 84.1 72 72 A H E -GH 31 146B 23 -41,-1.8 -41,-1.4 -2,-0.5 2,-0.4 -0.994 45.5-152.2-145.7 158.2 -2.2 18.3 84.1 73 73 A A E -GH 30 145B 0 72,-1.9 72,-2.3 -2,-0.3 2,-0.5 -0.991 27.5-170.1-128.5 116.4 -4.9 16.6 86.2 74 74 A T E -GH 29 144B 12 -45,-2.8 -45,-2.4 -2,-0.4 2,-0.5 -0.949 19.9-135.2-115.0 123.3 -6.7 13.9 84.2 75 75 A A E -GH 28 143B 0 68,-1.8 68,-2.3 -2,-0.5 -47,-0.3 -0.653 36.2-156.1 -71.7 128.4 -9.8 12.1 85.4 76 76 A L E + 0 0 29 -49,-2.1 -49,-0.1 -2,-0.5 66,-0.1 -0.915 59.7 27.8-165.6 139.0 -9.4 8.4 84.6 77 77 A P E - 0 0 46 0, 0.0 2,-0.5 0, 0.0 -71,-0.5 0.551 64.5-179.6 -73.5 156.6 -11.0 6.1 84.2 78 78 A V E - H 0 141B 0 63,-1.8 63,-2.9 -3,-0.2 2,-0.6 -0.976 19.2-148.8-121.2 106.9 -14.1 7.7 82.7 79 79 A N E + H 0 140B 85 -75,-2.4 2,-0.2 -2,-0.5 61,-0.2 -0.745 30.7 156.1 -91.5 119.8 -16.6 4.9 82.0 80 80 A V - 0 0 9 59,-2.5 -2,-0.0 -2,-0.6 6,-0.0 -0.779 37.9-121.5-139.3 171.3 -18.8 5.6 79.1 81 81 A R > - 0 0 179 -2,-0.2 3,-2.0 59,-0.0 53,-0.3 -0.969 39.3-101.6-118.6 133.0 -21.0 4.1 76.3 82 82 A P T 3 S+ 0 0 42 0, 0.0 53,-0.2 0, 0.0 55,-0.1 -0.220 104.1 17.0 -50.5 137.5 -20.4 4.6 72.6 83 83 A G T 3 S+ 0 0 57 51,-2.9 2,-0.2 53,-0.4 52,-0.1 0.258 91.9 130.4 86.9 -7.6 -22.8 7.0 71.0 84 84 A V < - 0 0 30 -3,-2.0 50,-2.7 50,-0.1 2,-0.6 -0.527 52.6-136.8 -83.3 144.0 -23.9 8.6 74.3 85 85 A T E -E 133 0A 48 48,-0.2 2,-0.3 -2,-0.2 48,-0.3 -0.883 26.4-166.9 -98.5 123.2 -23.9 12.4 74.7 86 86 A Y E -E 132 0A 12 46,-3.0 46,-2.5 -2,-0.6 2,-0.5 -0.772 18.9-133.5-108.5 156.4 -22.5 13.5 78.1 87 87 A T E -EF 131 165A 40 78,-2.8 78,-2.5 -2,-0.3 2,-0.5 -0.937 19.2-158.3-105.3 122.4 -22.5 16.8 80.0 88 88 A Y E +EF 130 164A 0 42,-3.6 42,-2.2 -2,-0.5 2,-0.3 -0.916 16.8 171.2-100.9 129.7 -19.2 17.8 81.5 89 89 A T E +EF 129 163A 41 74,-1.9 74,-2.9 -2,-0.5 2,-0.3 -0.993 3.7 156.7-138.0 139.8 -19.2 20.2 84.4 90 90 A I E -E 128 0A 0 38,-1.5 38,-2.7 -2,-0.3 2,-0.4 -0.975 29.4-130.8-151.0 159.0 -16.5 21.4 86.7 91 91 A W E +EF 127 160A 93 69,-2.9 69,-2.1 -2,-0.3 2,-0.3 -0.904 27.3 173.2-113.0 144.6 -15.7 24.4 89.0 92 92 A A E +EF 126 159A 0 34,-2.2 34,-1.7 -2,-0.4 30,-0.3 -0.994 9.8 163.9-149.8 150.5 -12.5 26.4 89.0 93 93 A R E - 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