==== 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 11-AUG-03 1OLR . COMPND 2 MOLECULE: ENDO-BETA-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA GRISEA; . AUTHOR M.SANDGREN,P.J.GUALFETTI,A.SHAW,L.S.GROSS,M.SALDAJENO, . 224 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 44.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 23 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.9 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 1 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 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 PARALLEL BRIDGES PER LADDER . 2 1 2 2 1 0 5 0 2 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 1 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 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 0 122 0, 0.0 38,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 139.1 -1.5 4.2 70.7 2 2 A I + 0 0 106 36,-2.0 2,-0.3 1,-0.3 37,-0.2 0.791 360.0 15.0 -69.6 -33.2 1.9 2.6 70.9 3 3 A R E -A 38 0A 110 35,-1.5 35,-2.4 2,-0.0 2,-0.5 -0.990 64.1-155.3-142.7 141.8 3.6 6.0 71.2 4 4 A S E -A 37 0A 62 -2,-0.3 2,-0.9 33,-0.2 33,-0.2 -0.967 8.5-171.8-118.1 111.3 2.2 9.4 72.1 5 5 A L E +A 36 0A 5 31,-3.3 31,-2.0 -2,-0.5 5,-0.2 -0.752 29.9 142.6-106.9 80.3 4.3 12.2 70.8 6 6 A a + 0 0 45 -2,-0.9 28,-0.3 29,-0.2 -1,-0.2 0.511 41.1 96.0-101.8 -7.8 2.7 15.2 72.4 7 7 A E S > S- 0 0 149 -3,-0.2 3,-2.3 1,-0.1 2,-0.3 -0.426 95.3 -85.4 -74.9 159.7 5.9 17.2 73.1 8 8 A L T 3 S+ 0 0 65 1,-0.3 14,-0.2 -2,-0.1 -1,-0.1 -0.504 119.7 3.4 -63.9 125.9 7.0 19.8 70.7 9 9 A Y T 3 S+ 0 0 112 12,-2.2 -1,-0.3 -2,-0.3 13,-0.2 0.728 89.1 178.0 60.7 27.1 9.0 17.9 68.1 10 10 A G < - 0 0 12 -3,-2.3 11,-2.8 11,-0.4 2,-0.3 -0.361 15.0-162.2 -55.1 139.2 8.2 14.6 69.8 11 11 A Y E +F 20 0B 97 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.952 26.1 176.1-139.8 145.7 9.8 12.0 67.6 12 12 A W E -F 19 0B 38 7,-2.1 7,-2.6 -2,-0.3 2,-0.3 -0.984 6.1-176.7-140.8 148.8 9.8 8.3 66.8 13 13 A S E +F 18 0B 54 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.994 19.1 129.4-144.4 147.8 11.6 6.2 64.3 14 14 A G E > +F 17 0B 20 3,-2.7 3,-2.2 -2,-0.3 -2,-0.0 -0.859 59.6 28.6 176.2 153.3 11.5 2.6 63.4 15 15 A N T 3 S- 0 0 117 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 0.791 129.2 -58.1 55.9 31.5 11.1 0.2 60.5 16 16 A G T 3 S+ 0 0 24 1,-0.3 54,-2.7 53,-0.1 -1,-0.3 0.532 119.6 97.9 75.9 10.0 12.7 2.8 58.1 17 17 A Y E < -FG 14 69B 14 -3,-2.2 -3,-2.7 52,-0.2 2,-0.3 -0.805 53.7-157.8-123.0 164.5 10.0 5.4 58.9 18 18 A E E -FG 13 68B 32 50,-2.2 50,-2.7 -2,-0.3 2,-0.4 -0.959 2.2-156.2-141.1 160.1 9.9 8.4 61.3 19 19 A L E -FG 12 67B 0 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.4 -0.999 10.7-171.3-140.3 134.7 7.1 10.4 62.9 20 20 A L E -FG 11 66B 21 46,-2.0 2,-2.1 -2,-0.4 46,-1.2 -0.989 30.3-141.2-138.6 129.3 7.3 13.9 64.2 21 21 A N - 0 0 0 -11,-2.8 -12,-2.2 -2,-0.4 2,-1.8 -0.604 39.2-172.8 -80.0 77.1 4.9 16.2 66.2 22 22 A N + 0 0 21 -2,-2.1 42,-2.4 -13,-0.2 2,-1.5 -0.497 22.5 161.4 -87.5 73.7 6.1 18.9 63.9 23 23 A L > + 0 0 1 -2,-1.8 3,-1.5 40,-0.2 40,-0.2 -0.341 15.1 151.1 -91.4 59.1 4.5 22.0 65.5 24 24 A W T 3 + 0 0 126 -2,-1.5 -1,-0.2 1,-0.3 39,-0.2 0.695 69.2 39.0 -68.0 -25.3 6.9 24.3 63.6 25 25 A G T > S+ 0 0 8 37,-2.1 3,-1.9 -3,-0.3 -1,-0.3 0.147 77.4 116.8-110.1 18.1 4.6 27.3 63.4 26 26 A K G X + 0 0 45 -3,-1.5 3,-2.2 36,-0.6 -1,-0.1 0.733 58.4 75.0 -65.1 -19.3 3.0 27.1 66.7 27 27 A D G 3 S+ 0 0 134 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.670 90.8 59.9 -75.2 -3.9 4.4 30.4 67.9 28 28 A T G < S+ 0 0 54 -3,-1.9 -1,-0.3 33,-0.1 2,-0.2 0.532 87.7 96.1 -89.4 -8.9 1.8 32.1 65.7 29 29 A A < - 0 0 23 -3,-2.2 27,-0.3 -4,-0.2 3,-0.1 -0.574 60.9-157.7 -81.9 146.8 -1.0 30.4 67.5 30 30 A T S S- 0 0 114 25,-2.6 2,-0.3 1,-0.3 26,-0.2 0.546 78.5 -6.8 -94.6 -15.7 -2.8 32.2 70.3 31 31 A S E S+ B 0 55A 66 24,-1.1 24,-2.3 -5,-0.1 -1,-0.3 -0.938 90.2 69.8-166.2 163.6 -4.0 29.0 71.9 32 32 A G E - B 0 54A 32 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.482 41.1-141.6 117.8 175.3 -4.1 25.3 71.2 33 33 A W E - B 0 53A 100 20,-1.4 20,-2.2 -2,-0.2 2,-0.3 -0.943 5.8-149.3-164.4 177.8 -1.9 22.2 71.1 34 34 A Q E - B 0 52A 3 -2,-0.3 2,-0.3 -28,-0.3 18,-0.2 -0.976 1.9-160.8-160.6 143.0 -1.5 19.0 69.1 35 35 A a E - B 0 51A 8 16,-2.3 16,-1.8 -2,-0.3 2,-0.4 -0.962 9.9-147.2-129.8 150.0 -0.3 15.5 69.7 36 36 A T E -AB 5 50A 0 -31,-2.0 -31,-3.3 -2,-0.3 2,-0.4 -0.964 16.5-158.8-118.7 132.1 0.9 12.9 67.2 37 37 A Y E -AB 4 49A 47 12,-3.3 12,-2.3 -2,-0.4 2,-0.7 -0.935 16.2-143.9-119.3 134.1 0.3 9.2 67.9 38 38 A L E +AB 3 48A 2 -35,-2.4 -36,-2.0 -2,-0.4 -35,-1.5 -0.869 23.5 175.2 -90.5 115.8 1.9 6.1 66.5 39 39 A D E - 0 0 60 8,-2.2 2,-0.3 -2,-0.7 9,-0.2 0.734 56.3 -33.4 -95.0 -27.7 -0.9 3.6 66.2 40 40 A G E - B 0 47A 2 7,-2.0 7,-2.7 -39,-0.1 -1,-0.3 -0.962 30.0-139.7 179.0 165.0 0.9 0.8 64.6 41 41 A T > + 0 0 46 -2,-0.3 3,-0.5 5,-0.2 5,-0.2 -0.288 50.5 154.7-131.8 45.1 3.6 -0.4 62.3 42 42 A N G > + 0 0 98 1,-0.2 3,-1.9 2,-0.1 -2,-0.1 -0.428 55.6 2.8 -79.3 149.5 1.6 -3.3 60.7 43 43 A N G 3 S- 0 0 139 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.763 127.2 -54.7 51.5 41.2 2.1 -4.8 57.3 44 44 A G G < S+ 0 0 58 -3,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.537 120.9 88.4 73.7 9.2 5.2 -2.8 56.1 45 45 A G S < S- 0 0 1 -3,-1.9 2,-0.4 175,-0.1 -1,-0.3 -0.597 73.8-111.9-124.9-174.1 3.4 0.4 56.8 46 46 A I E - C 0 219A 0 173,-2.2 173,-1.1 -2,-0.2 2,-0.4 -0.987 15.7-163.3-125.2 135.9 2.7 3.0 59.5 47 47 A Q E +B 40 0A 21 -7,-2.7 -8,-2.2 -2,-0.4 -7,-2.0 -0.973 30.8 145.2-116.9 127.6 -0.6 3.7 61.1 48 48 A W E -BC 38 216A 0 168,-1.6 168,-3.4 -2,-0.4 2,-0.3 -0.958 25.2-162.5-156.6 169.4 -0.7 7.0 63.0 49 49 A S E -BC 37 215A 1 -12,-2.3 -12,-3.3 -2,-0.3 2,-0.3 -0.971 7.5-149.2-151.9 166.9 -2.9 9.9 63.9 50 50 A T E -BC 36 214A 0 164,-2.5 164,-2.9 -2,-0.3 2,-0.4 -0.983 5.8-163.9-147.1 133.6 -2.8 13.5 65.1 51 51 A A E +BC 35 213A 25 -16,-1.8 -16,-2.3 -2,-0.3 2,-0.3 -0.918 25.4 152.9-112.9 143.1 -5.3 15.4 67.2 52 52 A W E -BC 34 212A 6 160,-2.3 160,-2.6 -2,-0.4 2,-0.3 -0.997 32.4-164.3-163.3 161.5 -5.2 19.1 67.5 53 53 A E E +B 33 0A 103 -20,-2.2 -20,-1.4 -2,-0.3 2,-0.4 -0.938 20.9 175.7-152.0 131.5 -6.9 22.4 68.0 54 54 A W E -BC 32 209A 4 155,-2.4 155,-2.8 -2,-0.3 2,-0.3 -0.999 9.2-171.5-139.7 141.9 -5.4 25.8 67.1 55 55 A Q E +B 31 0A 92 -24,-2.3 -25,-2.6 -2,-0.4 -24,-1.1 -0.937 46.0 45.3-128.3 154.1 -6.5 29.4 67.2 56 56 A G S S+ 0 0 16 -2,-0.3 4,-0.2 -27,-0.3 -28,-0.1 0.186 87.5 39.5 97.8 146.8 -5.0 32.5 65.8 57 57 A A > - 0 0 34 1,-0.1 3,-2.6 2,-0.1 -29,-0.1 0.933 59.7-165.1 51.8 67.9 -3.3 33.5 62.5 58 58 A P T 3 S+ 0 0 69 0, 0.0 150,-0.2 0, 0.0 -1,-0.1 0.618 85.6 53.3 -62.8 -15.7 -5.6 31.7 60.1 59 59 A D T 3 S+ 0 0 127 148,-0.1 2,-0.5 72,-0.1 -2,-0.1 0.388 95.7 87.5 -94.8 -0.4 -3.2 32.1 57.2 60 60 A N S < S- 0 0 75 -3,-2.6 2,-0.3 -4,-0.2 -35,-0.0 -0.883 75.1-132.8-106.7 126.9 -0.3 30.6 59.2 61 61 A V - 0 0 17 -2,-0.5 146,-0.2 1,-0.2 -33,-0.1 -0.587 17.6-171.9 -69.1 131.0 0.4 26.9 59.3 62 62 A K - 0 0 0 144,-3.1 -37,-2.1 -2,-0.3 -36,-0.6 0.734 64.0 -4.9 -91.2 -31.3 1.0 25.9 63.0 63 63 A S B -H 206 0B 0 143,-1.2 143,-2.1 -38,-0.2 -1,-0.3 -0.991 38.0-161.1-157.8 163.1 2.1 22.4 62.2 64 64 A Y - 0 0 6 -42,-2.4 141,-0.2 -2,-0.3 -41,-0.1 -0.531 22.6-169.6-146.8 72.0 2.7 19.6 59.8 65 65 A P + 0 0 0 0, 0.0 139,-1.6 0, 0.0 2,-0.3 -0.424 23.7 173.9 -59.7 143.1 2.9 16.4 61.7 66 66 A Y E -GI 20 203B 8 -46,-1.2 -46,-2.0 137,-0.2 2,-0.4 -0.967 41.6-132.5-150.1 157.5 4.2 13.8 59.4 67 67 A V E -GI 19 202B 0 135,-2.4 135,-2.3 -2,-0.3 2,-0.4 -0.957 35.6-166.5-104.4 137.1 5.4 10.3 58.8 68 68 A G E -GI 18 201B 1 -50,-2.7 -50,-2.2 -2,-0.4 2,-0.6 -0.943 23.3-126.5-127.2 146.9 8.5 10.3 56.7 69 69 A K E -G 17 0B 44 131,-2.8 131,-0.3 -2,-0.4 -52,-0.2 -0.829 35.6-124.7 -85.1 123.2 10.4 7.6 54.9 70 70 A Q - 0 0 72 -54,-2.7 2,-0.3 -2,-0.6 129,-0.1 -0.426 36.7-176.8 -69.2 139.5 14.0 7.6 56.1 71 71 A I - 0 0 42 127,-0.2 2,-0.3 -2,-0.1 -55,-0.0 -0.969 28.4-114.1-138.6 156.0 16.5 8.0 53.3 72 72 A Q > - 0 0 160 -2,-0.3 3,-0.5 1,-0.1 125,-0.1 -0.653 42.5-109.9 -84.8 144.6 20.1 8.1 52.7 73 73 A R T 3 S+ 0 0 117 -2,-0.3 38,-0.1 1,-0.2 3,-0.1 -0.319 90.1 44.4 -73.0 157.1 21.6 11.4 51.6 74 74 A G T 3 + 0 0 30 123,-0.4 2,-0.8 36,-0.3 -1,-0.2 0.609 64.5 143.4 90.0 17.1 22.9 12.0 48.1 75 75 A R < - 0 0 77 -3,-0.5 122,-2.4 122,-0.4 -1,-0.2 -0.773 43.6-141.4 -91.2 111.5 20.3 10.4 46.0 76 76 A K B > -J 196 0B 69 -2,-0.8 3,-1.5 120,-0.2 4,-0.3 -0.463 13.5-129.2 -68.3 139.1 19.8 12.4 42.8 77 77 A I G > S+ 0 0 0 118,-2.8 3,-1.7 115,-0.5 116,-0.2 0.885 108.7 59.5 -58.8 -36.9 16.2 12.6 41.8 78 78 A S G 3 S+ 0 0 39 114,-1.8 -1,-0.3 117,-0.3 115,-0.1 0.757 105.3 49.6 -63.2 -24.2 17.2 11.6 38.3 79 79 A D G < S+ 0 0 129 -3,-1.5 2,-0.7 113,-0.3 -1,-0.3 0.286 88.3 92.1-100.9 10.7 18.6 8.3 39.7 80 80 A I < - 0 0 0 -3,-1.7 3,-0.1 -4,-0.3 -5,-0.0 -0.924 57.4-170.9 -98.9 116.2 15.6 7.5 41.7 81 81 A N + 0 0 128 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.893 63.2 6.6 -78.0 -35.1 13.5 5.3 39.5 82 82 A S - 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