==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-DEC-03 1UU6 . COMPND 2 MOLECULE: ENDO-BETA-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA GRISEA; . AUTHOR G.I.BERGLUND,A.SHAW,J.STAHLBERG,L.KENNE,T.H.DRIGUEZ, . 224 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 73.7 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 . 22 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.5 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 1 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 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 0 125 0, 0.0 38,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 145.4 -1.8 3.9 70.8 2 2 A I + 0 0 108 36,-1.9 2,-0.3 1,-0.2 37,-0.2 0.875 360.0 12.8 -67.4 -42.3 1.6 2.2 71.0 3 3 A R E -A 38 0A 118 35,-1.5 35,-2.4 2,-0.0 2,-0.5 -0.997 63.9-152.3-138.5 140.8 3.3 5.7 71.5 4 4 A S E -A 37 0A 56 -2,-0.3 2,-0.9 33,-0.2 33,-0.2 -0.964 8.6-169.6-116.1 113.9 2.0 9.1 72.4 5 5 A L E +A 36 0A 4 31,-3.4 31,-1.9 -2,-0.5 5,-0.2 -0.738 30.6 143.0-105.1 81.2 4.2 11.9 71.0 6 6 A a + 0 0 47 -2,-0.9 28,-0.2 29,-0.2 -1,-0.2 0.549 41.1 96.7-101.6 -8.2 2.7 15.0 72.7 7 7 A E S > S- 0 0 152 -3,-0.2 3,-2.3 1,-0.1 2,-0.3 -0.415 94.2 -86.8 -73.7 154.4 6.0 16.9 73.3 8 8 A L T 3 S+ 0 0 72 1,-0.3 14,-0.1 -2,-0.1 -1,-0.1 -0.512 119.2 3.0 -57.9 122.0 7.1 19.6 70.9 9 9 A Y T 3 S+ 0 0 111 12,-2.2 -1,-0.3 -2,-0.3 13,-0.2 0.730 89.1 178.6 60.2 29.6 9.1 17.6 68.3 10 10 A G < - 0 0 12 -3,-2.3 11,-2.7 11,-0.4 2,-0.4 -0.380 14.5-160.8 -55.9 136.6 8.2 14.3 70.0 11 11 A Y E +F 20 0B 97 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.962 25.7 175.8-138.8 140.2 9.8 11.6 67.8 12 12 A W E -F 19 0B 45 7,-2.1 7,-2.5 -2,-0.4 2,-0.3 -0.983 7.1-179.0-133.8 148.7 9.7 7.9 67.0 13 13 A S E +F 18 0B 56 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.995 17.8 126.7-145.9 150.2 11.5 5.8 64.4 14 14 A G E > +F 17 0B 23 3,-2.3 3,-2.0 -2,-0.3 -2,-0.0 -0.854 59.5 31.8 173.7 155.3 11.5 2.2 63.4 15 15 A N T 3 S- 0 0 120 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.775 129.1 -59.1 58.0 26.3 11.1 -0.2 60.5 16 16 A G T 3 S+ 0 0 23 1,-0.3 54,-2.5 53,-0.1 -1,-0.3 0.568 119.9 98.1 78.3 11.0 12.7 2.5 58.2 17 17 A Y E < -FG 14 69B 12 -3,-2.0 -3,-2.3 52,-0.2 -1,-0.3 -0.791 53.6-159.2-121.0 166.5 10.0 5.0 59.0 18 18 A E E -FG 13 68B 25 50,-2.1 50,-2.6 -2,-0.3 2,-0.4 -0.967 3.7-155.7-145.2 159.0 9.8 8.0 61.4 19 19 A L E -FG 12 67B 0 -7,-2.5 -7,-2.1 -2,-0.3 2,-0.4 -0.999 11.8-171.0-137.7 134.3 7.0 10.0 63.0 20 20 A L E -FG 11 66B 20 46,-2.1 2,-1.9 -2,-0.4 46,-1.2 -0.989 30.0-141.7-136.8 128.9 7.3 13.6 64.4 21 21 A N - 0 0 0 -11,-2.7 -12,-2.2 -2,-0.4 2,-1.8 -0.608 38.6-173.6 -78.9 77.5 5.0 15.9 66.4 22 22 A N + 0 0 21 -2,-1.9 42,-2.3 -13,-0.2 2,-1.6 -0.493 21.7 161.8 -90.0 71.5 6.2 18.7 64.2 23 23 A L > + 0 0 1 -2,-1.8 3,-1.6 40,-0.2 4,-0.2 -0.343 14.0 152.4 -88.2 57.1 4.6 21.8 65.7 24 24 A W T 3 S+ 0 0 131 -2,-1.6 39,-0.2 1,-0.3 -1,-0.2 0.689 71.4 37.3 -67.5 -23.6 7.1 24.1 63.9 25 25 A G T > S+ 0 0 7 37,-1.9 3,-2.0 -3,-0.2 -1,-0.3 0.191 78.8 116.1-108.9 15.0 4.8 27.1 63.8 26 26 A K G X + 0 0 55 -3,-1.6 3,-1.6 36,-0.6 -2,-0.1 0.716 62.7 70.4 -66.1 -20.7 3.1 26.8 67.2 27 27 A D G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.695 92.4 60.8 -71.9 -12.7 4.5 30.0 68.6 28 28 A T G < S+ 0 0 53 -3,-2.0 -1,-0.3 33,-0.2 2,-0.2 0.536 87.2 97.1 -83.3 -9.3 2.2 31.9 66.2 29 29 A A < - 0 0 22 -3,-1.6 27,-0.3 -4,-0.2 3,-0.1 -0.580 63.1-155.0 -78.7 144.5 -0.8 30.3 67.9 30 30 A T S S- 0 0 108 25,-2.2 2,-0.3 1,-0.3 26,-0.2 0.619 80.2 -6.3 -89.0 -20.4 -2.7 32.2 70.6 31 31 A S E S+ B 0 55A 54 24,-1.0 24,-2.1 -5,-0.1 -1,-0.3 -0.961 91.2 63.8-162.2 161.1 -3.9 29.0 72.1 32 32 A G E - B 0 54A 33 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.497 40.6-139.3 120.7 177.1 -4.0 25.2 71.6 33 33 A W E - B 0 53A 100 20,-1.3 20,-2.1 -2,-0.2 2,-0.3 -0.945 6.7-146.0-163.8 179.2 -1.8 22.1 71.3 34 34 A Q E - B 0 52A 3 -2,-0.3 2,-0.4 -28,-0.2 18,-0.2 -0.983 2.7-160.5-158.9 141.4 -1.5 18.9 69.3 35 35 A a E - B 0 51A 10 16,-2.2 16,-1.9 -2,-0.3 2,-0.4 -0.974 9.6-148.3-127.4 148.1 -0.4 15.3 69.9 36 36 A T E -AB 5 50A 0 -31,-1.9 -31,-3.4 -2,-0.4 2,-0.4 -0.955 15.6-158.6-117.1 132.9 0.8 12.7 67.4 37 37 A Y E -AB 4 49A 48 12,-3.2 12,-2.1 -2,-0.4 2,-0.8 -0.932 16.0-144.9-119.4 131.3 0.0 9.0 68.1 38 38 A L E +AB 3 48A 2 -35,-2.4 -36,-1.9 -2,-0.4 -35,-1.5 -0.871 24.1 174.3 -88.8 112.6 1.7 5.9 66.7 39 39 A D E - 0 0 58 8,-2.0 2,-0.3 -2,-0.8 9,-0.2 0.759 56.8 -28.6 -91.4 -29.4 -1.2 3.4 66.5 40 40 A G E - B 0 47A 3 7,-2.0 7,-2.6 -39,-0.1 -1,-0.3 -0.974 30.6-143.5-175.7 161.6 0.5 0.5 64.7 41 41 A T + 0 0 44 -2,-0.3 3,-0.5 5,-0.2 2,-0.2 -0.295 50.3 154.8-129.3 48.7 3.3 -0.7 62.4 42 42 A N > + 0 0 100 1,-0.2 3,-1.6 2,-0.1 -2,-0.1 -0.488 55.4 1.7 -82.0 143.4 1.3 -3.5 60.8 43 43 A N T 3 S- 0 0 132 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.771 126.8 -53.9 60.1 40.3 1.9 -5.0 57.4 44 44 A G T 3 S+ 0 0 57 -3,-0.5 177,-0.3 1,-0.3 -1,-0.3 0.516 121.6 88.1 73.5 6.7 4.9 -3.1 56.2 45 45 A G S < S- 0 0 1 -3,-1.6 2,-0.4 175,-0.1 -1,-0.3 -0.574 73.9-113.4-124.0-175.6 3.1 0.2 56.9 46 46 A I E - C 0 219A 0 173,-2.2 173,-1.4 -2,-0.2 2,-0.4 -0.984 15.4-162.2-125.7 134.6 2.5 2.7 59.6 47 47 A Q E +B 40 0A 22 -7,-2.6 -7,-2.0 -2,-0.4 -8,-2.0 -0.974 31.1 146.1-114.1 129.2 -0.9 3.5 61.3 48 48 A W E -BC 38 216A 0 168,-1.8 168,-3.3 -2,-0.4 2,-0.3 -0.956 25.7-162.0-157.4 169.6 -1.0 6.8 63.1 49 49 A S E -BC 37 215A 1 -12,-2.1 -12,-3.2 -2,-0.3 2,-0.3 -0.964 6.7-150.9-153.3 164.3 -3.1 9.8 64.1 50 50 A T E -BC 36 214A 0 164,-2.4 164,-2.7 -2,-0.3 2,-0.4 -0.973 5.3-163.1-145.9 134.7 -3.0 13.3 65.4 51 51 A A E +BC 35 213A 26 -16,-1.9 -16,-2.2 -2,-0.3 2,-0.3 -0.923 24.8 155.4-114.2 141.9 -5.4 15.4 67.5 52 52 A W E -BC 34 212A 6 160,-2.3 160,-2.6 -2,-0.4 2,-0.3 -0.998 31.9-164.7-160.2 159.5 -5.3 19.1 67.7 53 53 A E E +B 33 0A 105 -20,-2.1 -20,-1.3 -2,-0.3 2,-0.3 -0.938 21.7 174.6-148.6 132.1 -6.9 22.5 68.3 54 54 A W E -BC 32 209A 6 155,-2.3 155,-2.6 -2,-0.3 2,-0.3 -1.000 9.9-174.8-138.8 142.1 -5.3 25.8 67.3 55 55 A Q E +B 31 0A 117 -24,-2.1 -25,-2.2 -2,-0.3 -24,-1.0 -0.936 45.1 45.6-127.1 156.9 -6.3 29.5 67.4 56 56 A G S S+ 0 0 20 -2,-0.3 4,-0.2 -27,-0.3 -28,-0.1 0.111 86.3 39.5 99.1 149.1 -4.6 32.6 66.0 57 57 A A > - 0 0 35 1,-0.1 3,-2.2 2,-0.1 -29,-0.1 0.893 61.5-162.7 49.5 67.7 -2.8 33.6 62.8 58 58 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 150,-0.1 0.619 85.2 50.8 -64.9 -15.5 -5.1 31.9 60.3 59 59 A D T 3 S+ 0 0 129 148,-0.1 2,-0.5 2,-0.1 -2,-0.1 0.389 95.1 89.7 -95.4 -0.8 -2.6 32.1 57.4 60 60 A N S < S- 0 0 76 -3,-2.2 2,-0.3 -4,-0.2 -35,-0.0 -0.866 76.2-131.8-100.7 125.5 0.2 30.6 59.5 61 61 A V - 0 0 16 -2,-0.5 146,-0.2 1,-0.2 -33,-0.2 -0.542 17.8-171.0 -66.1 131.2 0.8 26.9 59.7 62 62 A K - 0 0 0 144,-3.0 -37,-1.9 1,-0.3 -36,-0.6 0.728 64.5 -5.2 -89.8 -31.2 1.1 25.8 63.3 63 63 A S B -H 206 0B 0 143,-1.2 143,-2.1 -38,-0.2 -1,-0.3 -0.992 37.9-162.6-158.6 158.9 2.2 22.2 62.6 64 64 A Y - 0 0 6 -42,-2.3 141,-0.2 -2,-0.3 -41,-0.1 -0.516 22.4-170.6-143.9 72.4 2.8 19.5 60.0 65 65 A P + 0 0 0 0, 0.0 139,-1.6 0, 0.0 2,-0.3 -0.437 22.8 174.5 -60.8 140.5 2.9 16.2 62.0 66 66 A Y E -GI 20 203B 19 -46,-1.2 -46,-2.1 137,-0.2 2,-0.4 -0.977 40.6-133.9-147.0 158.3 4.1 13.6 59.5 67 67 A V E -GI 19 202B 0 135,-2.4 135,-2.4 -2,-0.3 2,-0.4 -0.939 35.8-164.8-105.7 135.8 5.2 10.1 58.9 68 68 A G E -GI 18 201B 1 -50,-2.6 -50,-2.1 -2,-0.4 2,-0.6 -0.943 23.5-129.7-124.2 146.5 8.4 9.9 56.9 69 69 A K E -G 17 0B 40 131,-2.7 131,-0.4 -2,-0.4 -52,-0.2 -0.866 37.2-123.8 -85.3 120.5 10.2 7.2 54.9 70 70 A Q - 0 0 74 -54,-2.5 2,-0.3 -2,-0.6 129,-0.1 -0.463 35.5-173.2 -66.9 137.3 13.8 7.3 56.0 71 71 A I - 0 0 37 127,-0.2 2,-0.3 -2,-0.1 129,-0.0 -0.954 25.2-113.9-134.6 153.9 16.2 7.8 53.1 72 72 A Q > - 0 0 153 -2,-0.3 3,-0.5 1,-0.1 125,-0.1 -0.675 39.0-112.9 -86.1 139.1 19.9 7.8 52.6 73 73 A R T 3 S+ 0 0 98 -2,-0.3 38,-0.1 1,-0.2 125,-0.1 -0.283 90.1 44.4 -71.6 154.8 21.5 11.1 51.6 74 74 A G T 3 + 0 0 40 123,-0.4 2,-0.7 36,-0.3 -1,-0.2 0.610 68.3 138.0 90.4 15.9 23.1 11.7 48.3 75 75 A R < - 0 0 70 -3,-0.5 122,-2.5 122,-0.4 -1,-0.2 -0.845 46.5-140.8 -95.9 111.1 20.5 10.2 46.0 76 76 A K B > -J 196 0B 60 -2,-0.7 3,-1.4 120,-0.2 120,-0.3 -0.436 15.0-127.4 -66.0 141.4 19.9 12.4 42.9 77 77 A I G > S+ 0 0 0 118,-2.6 3,-1.6 115,-0.5 116,-0.2 0.887 111.3 58.9 -59.0 -37.4 16.2 12.5 41.9 78 78 A S G 3 S+ 0 0 41 114,-1.8 -1,-0.3 117,-0.3 115,-0.1 0.742 104.4 51.8 -62.4 -23.8 17.3 11.5 38.3 79 79 A D G < S+ 0 0 126 -3,-1.4 2,-0.6 113,-0.3 -1,-0.3 0.264 89.6 89.6 -98.0 6.3 18.8 8.3 39.8 80 80 A I < - 0 0 2 -3,-1.6 3,-0.1 -4,-0.2 -5,-0.0 -0.942 55.8-172.3-100.8 119.2 15.6 7.3 41.7 81 81 A N + 0 0 138 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.858 64.4 7.8 -78.1 -36.1 13.4 5.2 39.5 82 82 A S - 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