==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/CARBOHYDRATE BINDING 07-APR-03 1OF4 . COMPND 2 MOLECULE: BETA-MANNOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.B.BORASTON,T.J.REVETT,C.M.BORASTON,D.NURIZZO,G.J.DAVIES . 171 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 69.0 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 . 83 48.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 17 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.8 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+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 0 2 1 0 2 3 2 1 1 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 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 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 3 A A 0 0 91 0, 0.0 2,-0.3 0, 0.0 169,-0.0 0.000 360.0 360.0 360.0 146.5 18.0 45.6 16.1 2 4 A R - 0 0 184 169,-0.4 169,-1.6 2,-0.0 2,-0.3 -0.862 360.0-173.4-107.5 145.3 15.3 45.3 18.9 3 5 A Y E -A 170 0A 65 -2,-0.3 2,-0.3 167,-0.3 167,-0.2 -0.957 14.7-153.5-137.6 152.9 12.2 43.1 18.6 4 6 A V E -A 169 0A 57 165,-2.6 165,-2.4 -2,-0.3 2,-0.4 -0.916 37.7 -96.8-120.4 154.7 9.0 42.3 20.4 5 7 A L E +A 168 0A 68 -2,-0.3 163,-0.3 163,-0.2 3,-0.1 -0.538 39.8 175.6 -69.7 122.4 7.0 39.1 20.3 6 8 A A E + 0 0 9 161,-3.0 2,-0.3 1,-0.4 162,-0.2 0.801 65.9 7.9 -96.0 -44.9 4.2 39.6 17.8 7 9 A E E -A 167 0A 28 160,-1.8 160,-2.7 62,-0.1 -1,-0.4 -0.994 61.1-177.2-141.9 146.1 2.6 36.2 17.9 8 10 A E E -A 166 0A 88 -2,-0.3 2,-0.5 158,-0.2 158,-0.2 -0.983 8.0-167.8-146.6 134.6 3.0 33.1 19.9 9 11 A V E +A 165 0A 9 156,-2.8 156,-2.1 -2,-0.3 155,-0.1 -0.971 15.6 163.9-123.5 114.5 1.4 29.6 19.8 10 12 A D - 0 0 55 -2,-0.5 -1,-0.1 154,-0.2 156,-0.0 0.374 45.8-129.4-106.7 -2.6 2.0 27.3 22.8 11 13 A F + 0 0 2 1,-0.1 27,-0.1 154,-0.1 -2,-0.1 0.847 49.7 157.1 57.2 38.1 -0.8 24.8 21.9 12 14 A S + 0 0 87 1,-0.1 -1,-0.1 32,-0.1 33,-0.1 0.783 63.7 37.0 -64.6 -22.3 -2.2 25.1 25.4 13 15 A S S > S- 0 0 54 31,-0.1 3,-1.5 1,-0.1 4,-0.4 -0.962 77.9-126.6-133.6 147.0 -5.6 24.0 24.2 14 16 A P G > S+ 0 0 70 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.742 104.3 72.3 -58.8 -23.5 -6.8 21.5 21.6 15 17 A E G > S+ 0 0 122 1,-0.3 3,-0.5 2,-0.2 4,-0.2 0.757 87.6 63.6 -69.6 -18.9 -8.9 24.3 19.9 16 18 A E G X S+ 0 0 33 -3,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.801 86.9 72.4 -69.4 -28.0 -5.7 25.9 18.6 17 19 A V G X S+ 0 0 22 -3,-1.1 3,-2.1 -4,-0.4 -1,-0.2 0.824 82.9 68.4 -65.1 -24.2 -5.0 22.8 16.5 18 20 A K G < S+ 0 0 147 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.1 0.710 90.0 64.0 -67.2 -16.2 -7.9 23.7 14.1 19 21 A N G < S+ 0 0 69 -3,-1.8 47,-0.6 -4,-0.2 2,-0.3 0.530 94.4 77.1 -79.1 -9.0 -5.8 26.7 12.9 20 22 A W E < -G 65 0B 16 -3,-2.1 2,-0.3 -4,-0.2 45,-0.2 -0.800 60.6-174.8-107.8 144.4 -3.2 24.2 11.5 21 23 A W E -G 64 0B 83 43,-2.1 43,-2.1 -2,-0.3 2,-0.7 -0.932 33.6-104.4-134.0 161.4 -3.3 22.2 8.3 22 24 A N E -G 63 0B 57 -2,-0.3 41,-0.2 41,-0.2 3,-0.1 -0.755 32.6-178.1 -81.8 114.3 -1.3 19.6 6.5 23 25 A S E - 0 0 25 39,-1.8 2,-0.2 -2,-0.7 40,-0.2 0.435 48.7 -84.1-101.8 1.6 0.4 21.4 3.6 24 26 A G E -G 62 0B 20 38,-0.8 38,-1.9 2,-0.0 -1,-0.3 -0.666 34.2-105.4 133.3-175.3 2.1 18.4 2.1 25 27 A T E -G 61 0B 60 36,-0.2 2,-0.3 -2,-0.2 36,-0.2 -0.855 7.4-154.0-141.1 167.3 5.0 16.0 2.0 26 28 A W E S-G 60 0B 156 34,-2.3 34,-2.7 -2,-0.3 3,-0.1 -0.808 84.5 -21.7-147.5 110.3 8.1 15.3 -0.0 27 29 A Q S S+ 0 0 91 -2,-0.3 2,-0.3 1,-0.2 29,-0.2 0.822 125.5 76.8 58.9 30.8 9.5 11.7 0.0 28 30 A A - 0 0 15 32,-0.3 2,-0.3 24,-0.1 -1,-0.2 -0.932 67.9-135.9-155.3 173.2 7.7 11.1 3.4 29 31 A E E -B 51 0A 108 22,-1.9 22,-2.5 -2,-0.3 2,-0.4 -0.954 7.0-134.1-138.0 148.0 4.2 10.3 4.6 30 32 A F E -B 50 0A 24 -2,-0.3 20,-0.3 20,-0.2 4,-0.1 -0.826 23.9-138.4 -88.8 147.2 1.8 11.3 7.3 31 33 A G E - 0 0 20 18,-2.7 18,-0.1 -2,-0.4 -1,-0.1 -0.053 41.4 -63.4 -81.9-164.5 -0.1 8.7 9.2 32 34 A S E S+ 0 0 127 1,-0.2 2,-0.1 2,-0.1 18,-0.0 -0.976 129.7 35.3-135.1 112.8 -3.8 9.0 10.2 33 35 A P E S- 0 0 60 0, 0.0 -2,-0.3 0, 0.0 -1,-0.2 0.446 84.0-168.2 -72.0 149.7 -4.5 11.1 12.1 34 36 A D E S+ 0 0 56 1,-0.3 15,-2.5 -2,-0.1 2,-0.4 0.924 71.9 12.7 -69.9 -46.9 -1.9 13.3 10.4 35 37 A I E S+B 48 0A 21 13,-0.2 2,-0.3 -5,-0.1 -1,-0.3 -0.997 73.5 154.7-136.8 134.1 -2.0 16.1 13.0 36 38 A E E -B 47 0A 67 11,-2.2 11,-2.9 -2,-0.4 2,-0.3 -0.970 42.0 -92.4-151.8 164.1 -3.5 16.1 16.5 37 39 A W E -B 46 0A 87 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.623 29.4-164.4 -76.1 144.8 -3.3 17.8 19.9 38 40 A N E -B 45 0A 30 7,-2.1 7,-2.0 -2,-0.3 6,-0.2 -0.991 5.7-168.7-127.9 121.3 -1.1 16.2 22.6 39 41 A G S S+ 0 0 37 -2,-0.4 -1,-0.1 5,-0.2 7,-0.0 0.497 80.6 51.4 -90.7 -5.8 -1.7 17.4 26.1 40 42 A E S > S+ 0 0 126 3,-0.1 3,-1.6 2,-0.1 2,-0.2 0.866 92.4 74.9 -90.7 -48.9 1.3 15.8 27.9 41 43 A V G > S- 0 0 0 1,-0.3 3,-2.0 2,-0.2 -3,-0.2 -0.415 121.4 -9.7 -69.3 128.1 4.1 16.9 25.7 42 44 A G G 3 S- 0 0 3 1,-0.3 -1,-0.3 -2,-0.2 122,-0.1 0.691 117.3 -75.1 64.3 24.5 5.0 20.6 26.2 43 45 A N G < S+ 0 0 126 -3,-1.6 -1,-0.3 -4,-0.0 -2,-0.2 0.846 123.6 0.4 44.9 43.6 1.9 21.0 28.3 44 46 A G S < S+ 0 0 0 -3,-2.0 2,-0.3 -6,-0.2 -5,-0.2 0.199 85.4 168.9 112.4 118.8 0.1 20.9 25.0 45 47 A A E -B 38 0A 0 -7,-2.0 -7,-2.1 118,-0.1 2,-0.6 -0.958 40.5 -97.7-153.3 159.8 1.9 20.5 21.7 46 48 A L E -BC 37 162A 0 116,-2.3 116,-2.3 -2,-0.3 2,-0.6 -0.826 38.0-152.0 -84.5 119.4 1.1 19.8 18.0 47 49 A Q E -BC 36 161A 24 -11,-2.9 -11,-2.2 -2,-0.6 2,-0.5 -0.844 9.1-167.7 -99.6 119.6 1.6 16.1 17.3 48 50 A L E -BC 35 160A 1 112,-2.9 112,-2.4 -2,-0.6 2,-0.7 -0.940 12.3-148.9-102.1 123.8 2.6 15.1 13.7 49 51 A N E + C 0 159A 27 -15,-2.5 -18,-2.7 -2,-0.5 2,-0.3 -0.877 33.1 175.8 -97.0 112.0 2.3 11.4 13.0 50 52 A V E -BC 30 158A 1 108,-2.5 108,-1.8 -2,-0.7 2,-0.4 -0.792 35.4-158.7-121.8 160.7 5.0 10.7 10.4 51 53 A K E +BC 29 157A 50 -22,-2.5 -22,-1.9 -2,-0.3 106,-0.2 -0.914 16.8 178.0-138.2 105.5 6.7 8.0 8.5 52 54 A L E - C 0 156A 5 104,-3.1 104,-2.1 -2,-0.4 -24,-0.1 -0.955 18.2-156.4-107.8 120.9 10.2 8.9 7.2 53 55 A P - 0 0 46 0, 0.0 102,-0.2 0, 0.0 -1,-0.1 0.766 23.9-138.9 -69.1 -24.8 11.9 6.0 5.3 54 56 A G + 0 0 15 100,-0.4 101,-0.3 102,-0.1 98,-0.1 0.683 68.3 115.2 71.9 27.8 15.4 7.3 6.0 55 57 A K + 0 0 143 99,-0.1 2,-0.2 98,-0.0 97,-0.0 0.621 70.0 37.6 -96.6 -20.3 16.7 6.6 2.4 56 58 A S S S- 0 0 22 -29,-0.2 97,-2.4 95,-0.1 98,-0.3 -0.777 81.5-108.2-130.3 178.1 17.4 10.1 1.1 57 59 A D S S+ 0 0 87 95,-0.3 2,-0.3 -2,-0.2 93,-0.0 0.500 104.5 42.7 -84.3 -11.2 18.7 13.5 2.3 58 60 A W + 0 0 41 94,-0.1 2,-0.5 -31,-0.1 -1,-0.2 -0.758 57.1 158.8-145.3 97.0 15.3 15.3 2.2 59 61 A E E - H 0 151B 0 92,-2.6 92,-3.1 -2,-0.3 2,-0.4 -0.951 26.8-173.4-125.2 106.6 12.2 13.6 3.6 60 62 A E E +GH 26 150B 7 -34,-2.7 -34,-2.3 -2,-0.5 2,-0.3 -0.836 27.0 179.4-118.8 135.6 9.7 16.3 4.5 61 63 A V E -GH 25 149B 0 88,-2.4 88,-2.6 -2,-0.4 2,-0.4 -0.963 22.7-158.5-124.1 148.5 6.3 16.7 6.2 62 64 A R E -GH 24 148B 35 -38,-1.9 -39,-1.8 -2,-0.3 -38,-0.8 -0.985 15.2-176.6-135.8 137.6 4.8 20.2 6.4 63 65 A V E -GH 22 147B 0 84,-2.1 84,-3.2 -2,-0.4 2,-0.3 -0.903 13.8-166.4-125.8 157.0 2.2 21.9 8.6 64 66 A A E -GH 21 146B 0 -43,-2.1 -43,-2.1 -2,-0.3 2,-0.3 -0.971 13.2-175.6-145.0 157.6 0.9 25.5 8.3 65 67 A R E -GH 20 145B 42 80,-2.1 80,-2.7 -2,-0.3 2,-0.3 -0.988 30.1-114.3-146.4 147.3 -1.0 28.2 10.0 66 68 A K E - H 0 144B 137 -47,-0.6 2,-0.4 -2,-0.3 78,-0.2 -0.686 26.9-171.9 -79.7 143.7 -2.2 31.7 9.0 67 69 A F > - 0 0 2 76,-2.1 3,-1.7 -2,-0.3 4,-0.2 -0.961 15.6-153.6-136.5 113.2 -0.6 34.6 11.0 68 70 A E T 3 S+ 0 0 172 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.785 95.4 44.4 -61.4 -27.6 -2.2 38.0 10.3 69 71 A R T > S+ 0 0 82 1,-0.2 3,-2.5 2,-0.1 4,-0.5 0.328 77.5 112.6 -98.9 10.3 1.1 39.9 11.2 70 72 A L G X + 0 0 1 -3,-1.7 3,-1.3 1,-0.3 69,-0.3 0.805 69.7 60.1 -56.7 -35.4 3.4 37.6 9.4 71 73 A S G 3 S+ 0 0 41 71,-0.6 -1,-0.3 -3,-0.3 68,-0.2 0.632 105.1 51.2 -69.7 -9.5 4.4 40.3 6.8 72 74 A E G < S+ 0 0 85 -3,-2.5 98,-0.5 66,-0.1 -1,-0.3 0.477 94.3 99.8 -99.2 -7.9 5.7 42.5 9.7 73 75 A C E < +D 169 0A 0 -3,-1.3 66,-0.3 -4,-0.5 96,-0.2 -0.450 38.0 173.0 -92.8 157.8 7.9 39.7 11.2 74 76 A E E + 0 0 14 94,-2.7 62,-2.5 1,-0.3 2,-0.4 0.434 65.2 50.4-137.7 -11.6 11.6 39.1 11.0 75 77 A I E -DE 168 135A 12 93,-1.3 93,-2.5 60,-0.2 2,-0.4 -0.989 55.0-172.0-138.3 133.1 12.4 36.2 13.4 76 78 A L E +DE 167 134A 0 58,-2.6 58,-3.0 -2,-0.4 2,-0.3 -0.974 6.7 178.3-117.3 137.2 10.7 32.8 13.8 77 79 A E E +DE 166 133A 35 89,-2.3 89,-2.9 -2,-0.4 2,-0.3 -0.982 8.4 154.3-132.9 145.7 11.5 30.3 16.6 78 80 A Y E - E 0 132A 0 54,-2.0 54,-3.0 -2,-0.3 2,-0.4 -0.962 30.4-125.5-157.2 165.9 10.0 26.9 17.4 79 81 A D E -DE 163 131A 6 84,-2.6 84,-2.0 -2,-0.3 2,-0.4 -0.898 11.6-158.4-115.0 144.9 10.8 23.7 19.1 80 82 A I E -DE 162 130A 0 50,-2.5 50,-2.5 -2,-0.4 2,-0.4 -0.987 8.5-166.3-118.4 132.6 10.7 20.1 17.8 81 83 A Y E -DE 161 129A 9 80,-2.4 80,-2.9 -2,-0.4 48,-0.2 -0.978 5.7-177.5-118.9 135.9 10.5 17.1 20.2 82 84 A I E - E 0 128A 0 46,-2.0 46,-2.9 -2,-0.4 78,-0.1 -0.997 40.1 -99.0-127.6 128.5 11.1 13.5 19.2 83 85 A P E - E 0 127A 15 0, 0.0 2,-2.1 0, 0.0 44,-0.3 -0.225 35.7-117.9 -45.7 137.8 10.7 10.6 21.6 84 86 A N + 0 0 55 42,-2.4 2,-0.2 2,-0.0 43,-0.1 -0.279 50.5 165.6 -80.3 56.8 14.1 9.6 23.0 85 87 A V > - 0 0 69 -2,-2.1 3,-1.1 1,-0.1 2,-0.1 -0.469 40.9-109.5 -73.3 136.3 14.0 6.1 21.6 86 88 A E T 3 S+ 0 0 198 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.387 95.9 27.7 -65.9 139.7 17.4 4.3 21.6 87 89 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.346 74.3 149.9 99.1 -8.0 19.1 3.7 18.3 88 90 A L < - 0 0 20 -3,-1.1 2,-0.3 26,-0.1 -1,-0.3 -0.355 22.7-174.9 -61.1 133.9 17.7 6.6 16.3 89 91 A K + 0 0 89 66,-0.3 66,-0.5 64,-0.1 2,-0.2 -0.970 28.3 52.2-130.3 153.1 20.1 7.8 13.6 90 92 A G - 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