==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-MAY-01 1J84 . COMPND 2 MOLECULE: ENDO-1,4-BETA GLUCANASE ENGF; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOVORANS; . AUTHOR V.NOTENBOOM,A.B.BORASTON,P.CHIU,A.C.J.FREELOVE,D.G.KILBURN, . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 60.3 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 . 55 30.7 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.9 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 1 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 . 1 3 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 27 A Q 0 0 163 0, 0.0 19,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 35.7 34.3 34.9 40.5 2 28 A P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 22,-0.1 -0.450 360.0-149.3 -70.8 148.6 31.6 37.4 39.4 3 29 A T - 0 0 61 20,-0.4 19,-2.7 -2,-0.1 17,-0.5 -0.977 12.7-117.1-126.4 134.4 31.6 38.2 35.7 4 30 A A - 0 0 54 -2,-0.4 17,-0.3 17,-0.2 68,-0.2 -0.201 43.6 -91.7 -62.5 154.1 30.6 41.4 34.0 5 31 A P - 0 0 22 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.363 26.2-166.3 -69.2 146.7 27.6 41.3 31.6 6 32 A K S S+ 0 0 175 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.705 84.8 17.3 -97.9 -32.0 28.3 40.7 27.9 7 33 A D + 0 0 72 1,-0.1 -1,-0.3 2,-0.0 9,-0.2 -0.865 53.6 156.9-147.5 111.3 24.8 41.8 27.0 8 34 A F > + 0 0 17 -2,-0.3 3,-2.0 -3,-0.2 -1,-0.1 0.004 36.9 125.9-117.5 25.6 22.4 43.8 29.1 9 35 A S T 3 + 0 0 102 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.629 62.6 68.8 -61.2 -14.7 20.3 45.1 26.1 10 36 A S T 3 S- 0 0 47 2,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.695 106.8-123.4 -78.5 -16.5 17.1 43.9 27.7 11 37 A G S < S+ 0 0 37 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.536 82.6 58.9 87.8 4.9 17.4 46.5 30.4 12 38 A F S S- 0 0 37 165,-0.1 2,-1.0 -4,-0.1 -2,-0.3 -0.955 99.2 -76.0-155.1 169.2 17.3 43.9 33.2 13 39 A W B +A 176 0A 0 163,-1.9 163,-1.5 -2,-0.3 162,-0.5 -0.624 54.5 149.5 -75.7 100.8 19.2 40.9 34.5 14 40 A D - 0 0 12 -2,-1.0 -1,-0.2 161,-0.2 -6,-0.1 0.450 42.5-146.5-108.0 -5.2 18.2 37.9 32.2 15 41 A F > + 0 0 0 1,-0.2 3,-0.6 -3,-0.1 -2,-0.1 0.709 56.2 131.2 46.7 28.8 21.6 36.1 32.7 16 42 A N T 3 + 0 0 87 1,-0.2 -1,-0.2 -9,-0.2 26,-0.0 0.338 54.7 71.5 -91.6 8.8 21.4 34.8 29.1 17 43 A D T 3 S- 0 0 28 2,-0.2 -1,-0.2 -10,-0.1 3,-0.1 0.194 112.0-106.8-106.1 13.9 24.9 35.9 28.2 18 44 A G S < S+ 0 0 50 -3,-0.6 20,-0.3 1,-0.3 2,-0.2 0.560 87.0 105.1 74.9 7.8 26.7 33.3 30.3 19 45 A T S S- 0 0 7 18,-0.1 -1,-0.3 1,-0.0 -2,-0.2 -0.632 82.4-119.3-113.4 173.2 27.8 35.8 33.0 20 46 A T > - 0 0 2 -17,-0.5 3,-2.9 -2,-0.2 -16,-0.1 0.213 51.1-126.9 -91.3 12.3 26.6 36.6 36.5 21 47 A Q T 3 S- 0 0 0 -17,-0.3 -17,-0.2 1,-0.3 51,-0.1 0.827 72.6 -42.0 42.2 45.0 26.0 40.0 34.9 22 48 A G T 3 S+ 0 0 0 -19,-2.7 49,-1.4 1,-0.3 48,-0.4 0.227 106.2 134.4 93.9 -12.4 28.0 41.7 37.6 23 49 A F < + 0 0 0 -3,-2.9 -20,-0.4 46,-0.3 2,-0.3 -0.438 16.9 131.7 -79.3 143.5 26.7 39.7 40.6 24 50 A G E -B 68 0B 6 44,-1.4 44,-2.9 -2,-0.2 46,-0.1 -0.965 61.4 -52.0-171.2 170.3 28.8 38.2 43.3 25 51 A V E -B 67 0B 44 -2,-0.3 42,-0.3 42,-0.2 45,-0.1 -0.272 59.6-118.7 -57.0 138.0 29.1 38.0 47.1 26 52 A N > - 0 0 10 40,-3.5 3,-2.4 136,-0.2 40,-0.2 -0.603 14.1-125.8 -81.9 138.6 28.9 41.4 48.8 27 53 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.818 110.9 50.6 -50.8 -35.6 31.9 42.5 50.9 28 54 A D T 3 S+ 0 0 116 2,-0.0 -2,-0.0 3,-0.0 -3,-0.0 0.280 81.3 126.9 -90.9 12.8 29.7 43.1 53.9 29 55 A S < - 0 0 12 -3,-2.4 36,-0.1 37,-0.2 34,-0.1 -0.451 57.8-144.7 -70.2 138.2 28.0 39.7 53.7 30 56 A P S S+ 0 0 80 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.712 91.1 49.5 -75.0 -16.1 28.1 37.7 57.0 31 57 A I + 0 0 24 33,-0.2 35,-0.4 1,-0.1 3,-0.1 -0.968 55.8 162.3-124.0 137.4 28.4 34.6 54.8 32 58 A T + 0 0 102 -2,-0.4 2,-1.9 33,-0.1 -7,-0.1 0.635 54.8 86.6-126.8 -24.9 30.9 34.2 51.9 33 59 A A + 0 0 49 18,-0.1 2,-0.5 2,-0.1 -1,-0.1 -0.128 64.6 120.5 -76.1 44.7 31.2 30.5 51.1 34 60 A I - 0 0 10 -2,-1.9 2,-0.4 -3,-0.1 -9,-0.2 -0.931 62.1-130.8-110.3 129.8 28.2 30.7 48.7 35 61 A N E -F 46 0C 42 11,-1.3 11,-1.8 -2,-0.5 2,-0.5 -0.667 22.0-173.8 -84.8 131.2 28.7 29.9 45.1 36 62 A V E +F 45 0C 8 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.951 24.9 134.7-127.4 110.9 27.4 32.4 42.5 37 63 A E E -F 44 0C 61 7,-2.1 7,-3.0 -2,-0.5 2,-0.5 -0.881 54.4 -95.9-146.7 174.7 27.5 31.4 38.9 38 64 A N E +F 43 0C 37 -20,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.867 45.6 161.4-100.6 129.1 25.6 31.3 35.6 39 65 A A - 0 0 21 3,-2.0 3,-0.4 -2,-0.5 -2,-0.0 -0.973 65.3 -2.5-150.6 131.0 23.9 28.0 34.8 40 66 A N S S- 0 0 154 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.854 129.3 -58.0 56.0 38.4 21.1 27.3 32.4 41 67 A N S S+ 0 0 85 1,-0.2 2,-0.3 -26,-0.0 -1,-0.2 0.902 120.9 93.2 59.4 44.1 20.9 31.0 31.5 42 68 A A S S- 0 0 8 -3,-0.4 -3,-2.0 132,-0.1 2,-0.9 -0.928 86.5 -92.4-152.7 172.0 20.2 31.9 35.1 43 69 A L E -FG 38 173C 0 130,-3.1 130,-2.7 -2,-0.3 2,-0.6 -0.845 41.8-158.4 -96.4 105.8 22.0 33.0 38.3 44 70 A K E -FG 37 172C 50 -7,-3.0 -7,-2.1 -2,-0.9 2,-0.7 -0.760 8.1-170.2 -90.3 118.8 22.7 29.8 40.2 45 71 A I E -FG 36 171C 0 126,-2.1 126,-1.3 -2,-0.6 3,-0.3 -0.908 14.0-169.9-111.8 106.3 23.3 30.3 44.0 46 72 A S E +FG 35 170C 10 -11,-1.8 -11,-1.3 -2,-0.7 124,-0.2 -0.635 53.2 18.2-101.9 156.3 24.5 27.1 45.7 47 73 A N > + 0 0 67 122,-1.9 4,-1.5 -2,-0.2 6,-0.3 0.670 66.6 142.0 66.6 24.4 25.0 26.0 49.3 48 74 A L T 4>S+ 0 0 0 120,-0.4 5,-2.8 -3,-0.3 121,-0.2 0.926 75.4 43.2 -59.4 -46.0 22.8 28.6 50.9 49 75 A N T >45S+ 0 0 61 119,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.924 110.8 53.7 -68.4 -44.4 21.5 26.1 53.5 50 76 A S T 345S+ 0 0 79 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.773 110.4 48.0 -61.8 -27.8 24.9 24.5 54.3 51 77 A K T 3<5S- 0 0 93 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.2 0.199 120.5-103.9 -99.6 15.1 26.5 27.9 55.0 52 78 A G T < 5S+ 0 0 35 -3,-1.6 2,-1.2 1,-0.2 3,-0.2 0.668 80.7 131.7 75.8 15.7 23.7 29.1 57.3 53 79 A S < + 0 0 0 -5,-2.8 113,-1.9 -6,-0.3 -1,-0.2 -0.562 37.9 109.8 -97.5 68.1 22.2 31.4 54.8 54 80 A N + 0 0 66 -2,-1.2 2,-0.3 111,-0.3 -1,-0.2 0.095 28.5 140.2-129.9 22.2 18.7 30.0 55.5 55 81 A D + 0 0 27 -3,-0.2 42,-0.2 1,-0.1 110,-0.1 -0.560 18.5 173.6 -71.4 129.2 16.8 32.7 57.4 56 82 A L + 0 0 32 -2,-0.3 -1,-0.1 40,-0.1 42,-0.1 0.164 39.3 111.8-120.9 15.1 13.2 32.7 56.1 57 83 A S S S- 0 0 45 1,-0.1 58,-0.1 3,-0.1 4,-0.0 -0.132 74.7-115.3 -79.9-179.0 11.7 35.2 58.5 58 84 A E S S+ 0 0 93 56,-0.1 57,-2.3 1,-0.1 3,-0.2 0.852 106.4 21.4 -88.4 -38.0 10.5 38.6 57.6 59 85 A G S S+ 0 0 47 55,-0.2 3,-0.3 1,-0.1 -1,-0.1 0.456 108.7 69.7-113.1 0.2 12.9 40.7 59.6 60 86 A N > + 0 0 85 1,-0.2 3,-2.1 2,-0.1 4,-0.2 0.060 54.2 119.7-105.8 25.9 16.0 38.6 60.3 61 87 A F G > + 0 0 2 1,-0.3 3,-1.8 -3,-0.2 -1,-0.2 0.606 55.6 88.1 -63.0 -9.5 17.2 38.5 56.6 62 88 A W G 3 S+ 0 0 88 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.692 79.4 60.7 -61.4 -20.3 20.3 40.1 58.1 63 89 A A G < S+ 0 0 39 -3,-2.1 -1,-0.3 -34,-0.1 -2,-0.2 0.593 91.7 91.2 -83.4 -12.4 21.6 36.6 58.8 64 90 A N S < S- 0 0 0 -3,-1.8 -33,-0.2 -4,-0.2 101,-0.2 -0.418 87.9 -88.2 -88.8 161.5 21.5 35.8 55.1 65 91 A V E - C 0 164B 0 99,-0.9 99,-2.7 -36,-0.1 2,-0.5 -0.285 38.0-142.4 -61.2 145.0 24.2 36.1 52.4 66 92 A R E - C 0 163B 36 -35,-0.4 -40,-3.5 -40,-0.2 2,-0.3 -0.951 17.7-173.8-113.5 129.6 24.3 39.4 50.6 67 93 A I E -BC 25 162B 0 95,-2.7 95,-3.2 -2,-0.5 2,-0.3 -0.900 4.0-179.1-119.6 153.1 25.1 39.5 46.9 68 94 A S E -BC 24 161B 0 -44,-2.9 2,-1.6 -2,-0.3 -44,-1.4 -0.994 37.1-117.9-151.4 151.0 25.6 42.6 44.7 69 95 A A > + 0 0 2 91,-1.1 3,-1.4 -2,-0.3 4,-0.3 -0.492 47.5 157.6 -88.6 68.1 26.3 43.5 41.1 70 96 A D T 3 S+ 0 0 85 -2,-1.6 3,-0.2 -48,-0.4 -1,-0.2 0.788 75.9 36.5 -63.5 -33.1 29.7 45.2 41.8 71 97 A I T 3 S+ 0 0 77 -49,-1.4 -1,-0.3 -3,-0.2 -49,-0.1 -0.159 81.7 117.6-112.0 38.0 31.1 44.7 38.3 72 98 A W < - 0 0 4 -3,-1.4 -1,-0.2 -50,-0.3 -2,-0.1 0.927 48.9-168.4 -67.7 -46.3 27.7 45.3 36.6 73 99 A G + 0 0 78 -4,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.635 54.9 83.5 65.2 14.4 28.9 48.4 34.8 74 100 A Q - 0 0 95 84,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.616 60.6-147.2-130.9-170.5 25.4 49.4 33.7 75 101 A S - 0 0 64 -2,-0.2 2,-0.4 -3,-0.1 83,-0.2 -0.990 5.5-146.2-159.9 164.9 22.3 51.2 35.2 76 102 A I E -K 157 0D 21 81,-1.9 81,-2.8 -2,-0.3 2,-0.5 -0.950 16.2-137.7-143.4 118.3 18.5 51.3 35.2 77 103 A N E +K 156 0D 106 -2,-0.4 79,-0.2 79,-0.3 72,-0.1 -0.632 27.0 172.6 -72.6 122.2 16.3 54.3 35.5 78 104 A I > + 0 0 0 77,-2.9 3,-2.5 -2,-0.5 -1,-0.1 0.171 18.2 145.5-119.1 16.9 13.6 53.3 37.9 79 105 A Y T 3 S+ 0 0 124 76,-0.3 71,-0.2 1,-0.3 70,-0.1 -0.363 79.1 11.6 -58.0 127.0 11.8 56.6 38.5 80 106 A G T 3 S+ 0 0 53 69,-2.6 -1,-0.3 1,-0.3 70,-0.1 0.301 97.2 132.6 88.2 -11.1 8.1 55.8 38.9 81 107 A D < - 0 0 41 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.366 32.9-177.3 -72.8 155.4 8.7 52.1 39.2 82 108 A T + 0 0 69 97,-2.2 57,-1.3 1,-0.2 2,-0.3 0.507 55.8 52.9-130.0 -11.4 7.0 50.2 42.0 83 109 A K E -H 138 0C 88 96,-2.8 96,-2.5 55,-0.2 2,-0.5 -0.973 47.0-161.0-138.3 148.1 8.2 46.6 41.9 84 110 A L E +HI 137 178C 0 53,-2.9 53,-3.5 -2,-0.3 2,-0.3 -0.972 31.7 179.3-119.8 109.5 11.3 44.4 41.7 85 111 A T E +HI 136 177C 31 92,-2.5 92,-2.4 -2,-0.5 2,-0.3 -0.833 9.5 163.8-116.8 154.7 10.3 41.0 40.4 86 112 A M E -H 135 0C 2 49,-2.2 49,-2.2 -2,-0.3 2,-0.4 -0.984 35.0-113.7-159.9 158.0 12.2 37.9 39.6 87 113 A D E -HI 134 174C 28 87,-3.0 87,-1.5 -2,-0.3 2,-0.6 -0.827 23.3-150.5 -98.0 137.5 11.7 34.2 39.0 88 114 A V E -HI 133 173C 0 45,-3.1 45,-2.5 -2,-0.4 2,-0.4 -0.951 16.5-165.3-108.7 121.7 13.0 31.8 41.6 89 115 A I E +HI 132 172C 33 83,-3.2 83,-2.0 -2,-0.6 43,-0.2 -0.922 17.9 152.8-114.1 135.5 14.0 28.4 40.0 90 116 A A E -H 131 0C 2 41,-2.3 41,-2.8 -2,-0.4 81,-0.1 -0.985 49.5-119.3-153.9 151.5 14.7 25.2 41.9 91 117 A P S S+ 0 0 60 0, 0.0 41,-0.1 0, 0.0 80,-0.1 0.821 103.2 23.6 -63.3 -31.1 14.5 21.4 41.1 92 118 A T S S- 0 0 86 39,-0.1 2,-0.5 38,-0.1 39,-0.1 -0.891 106.0 -82.1-130.1 159.3 12.0 20.9 43.9 93 119 A P + 0 0 36 0, 0.0 27,-0.2 0, 0.0 2,-0.2 -0.515 64.4 168.7 -66.2 117.6 9.6 23.4 45.6 94 120 A V - 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