==== 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 1UU5 . 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) . 9888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 75.0 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 . 24 10.7 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 0 128 0, 0.0 38,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 144.6 -1.6 4.5 71.7 2 2 A I + 0 0 106 36,-2.2 2,-0.3 1,-0.3 37,-0.2 0.851 360.0 15.3 -70.7 -40.2 1.8 2.8 71.8 3 3 A R E -A 38 0A 111 35,-1.4 35,-2.2 2,-0.0 2,-0.6 -0.997 64.3-155.5-135.4 141.6 3.5 6.3 72.1 4 4 A S E -A 37 0A 65 -2,-0.3 2,-1.1 33,-0.2 33,-0.2 -0.954 9.5-170.6-116.5 107.5 2.0 9.7 73.0 5 5 A L E +A 36 0A 4 31,-3.4 31,-2.2 -2,-0.6 5,-0.2 -0.727 29.7 143.0-101.3 84.6 4.2 12.4 71.6 6 6 A a + 0 0 46 -2,-1.1 28,-0.3 29,-0.2 -1,-0.2 0.614 41.4 93.0-103.6 -13.9 2.8 15.5 73.2 7 7 A E S > S- 0 0 152 -3,-0.2 3,-2.3 1,-0.1 2,-0.2 -0.387 96.8 -83.2 -71.3 155.2 5.9 17.5 73.8 8 8 A L T 3 S+ 0 0 67 1,-0.3 14,-0.2 14,-0.1 -1,-0.1 -0.462 120.4 3.8 -55.7 125.7 7.1 20.0 71.3 9 9 A Y T 3 S+ 0 0 111 12,-2.2 -1,-0.3 1,-0.2 13,-0.1 0.698 86.9 179.6 58.0 28.0 9.0 17.9 68.7 10 10 A G < - 0 0 12 -3,-2.3 11,-2.5 11,-0.4 2,-0.4 -0.342 17.2-158.4 -51.6 132.6 8.1 14.7 70.5 11 11 A Y E +F 20 0B 105 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.928 27.6 174.2-135.5 142.6 9.7 12.0 68.3 12 12 A W E -F 19 0B 38 7,-2.0 7,-2.8 -2,-0.4 2,-0.3 -0.992 6.6-177.0-138.6 145.3 9.6 8.4 67.4 13 13 A S E +F 18 0B 57 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.997 20.3 123.5-142.8 146.6 11.4 6.3 64.9 14 14 A G E > +F 17 0B 20 3,-2.4 3,-1.9 -2,-0.3 -2,-0.0 -0.846 58.9 32.8 173.5 152.5 11.3 2.7 63.8 15 15 A N T 3 S- 0 0 111 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.763 129.1 -58.9 62.1 24.7 10.7 0.3 60.9 16 16 A G T 3 S+ 0 0 23 1,-0.3 54,-2.4 53,-0.1 2,-0.3 0.593 119.9 96.3 80.2 12.6 12.3 2.9 58.6 17 17 A Y E < -FG 14 69B 8 -3,-1.9 -3,-2.4 52,-0.2 -1,-0.3 -0.828 55.2-155.3-123.8 165.8 9.8 5.6 59.4 18 18 A E E -FG 13 68B 36 50,-2.3 50,-2.5 -2,-0.3 2,-0.4 -0.962 1.7-155.7-139.6 159.8 9.7 8.5 61.9 19 19 A L E -FG 12 67B 0 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.4 -1.000 12.8-172.6-138.5 131.6 6.9 10.4 63.6 20 20 A L E -FG 11 66B 19 46,-2.1 2,-1.8 -2,-0.4 46,-1.3 -0.989 31.5-140.6-136.1 133.4 7.1 14.0 64.9 21 21 A N - 0 0 0 -11,-2.5 -12,-2.2 -2,-0.4 2,-1.8 -0.605 37.9-173.4 -82.3 77.3 4.9 16.3 66.9 22 22 A N + 0 0 22 -2,-1.8 42,-2.4 -14,-0.2 2,-1.6 -0.455 21.3 161.6 -86.9 74.4 6.0 19.1 64.6 23 23 A L > + 0 0 1 -2,-1.8 3,-1.7 40,-0.2 4,-0.2 -0.317 14.3 152.3 -90.9 57.0 4.4 22.2 66.2 24 24 A W T 3 S+ 0 0 136 -2,-1.6 3,-0.2 1,-0.3 -1,-0.2 0.748 70.9 38.2 -67.0 -25.5 6.8 24.5 64.4 25 25 A G T > S+ 0 0 7 37,-1.6 3,-1.9 -3,-0.3 -1,-0.3 0.159 77.7 117.6-107.2 16.5 4.5 27.5 64.3 26 26 A K G X + 0 0 62 -3,-1.7 3,-1.9 36,-0.5 -1,-0.1 0.759 63.0 69.9 -62.3 -25.9 3.0 27.2 67.8 27 27 A D G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.673 92.0 61.4 -69.3 -13.5 4.3 30.5 69.0 28 28 A T G < S+ 0 0 55 -3,-1.9 -1,-0.3 33,-0.2 -2,-0.2 0.576 87.9 93.9 -83.2 -10.6 1.9 32.3 66.7 29 29 A A < - 0 0 20 -3,-1.9 27,-0.2 -4,-0.2 3,-0.1 -0.505 63.7-152.7 -80.5 149.5 -1.1 30.7 68.5 30 30 A T S S- 0 0 111 25,-2.6 2,-0.3 1,-0.3 26,-0.2 0.774 79.9 -10.1 -87.4 -33.0 -3.0 32.5 71.3 31 31 A S E S+ B 0 55A 69 24,-1.3 24,-2.3 25,-0.0 -1,-0.3 -0.971 90.5 70.6-155.9 165.3 -4.1 29.3 72.8 32 32 A G E - B 0 54A 36 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.495 41.4-142.5 119.4 176.5 -4.2 25.5 72.2 33 33 A W E - B 0 53A 112 20,-1.6 20,-2.1 -2,-0.2 2,-0.3 -0.951 5.5-145.8-164.8 178.8 -2.0 22.5 71.9 34 34 A Q E - B 0 52A 3 -28,-0.3 2,-0.3 -2,-0.3 18,-0.2 -0.988 3.1-161.7-158.7 143.4 -1.5 19.3 70.0 35 35 A a E - B 0 51A 10 16,-2.2 16,-1.8 -2,-0.3 2,-0.4 -0.977 10.3-147.0-129.8 149.8 -0.3 15.7 70.5 36 36 A T E -AB 5 50A 0 -31,-2.2 -31,-3.4 -2,-0.3 2,-0.4 -0.952 16.6-158.7-119.1 131.7 0.8 13.1 68.0 37 37 A Y E -AB 4 49A 48 12,-3.2 12,-2.1 -2,-0.4 2,-0.7 -0.939 15.6-144.4-117.1 132.9 0.1 9.4 68.7 38 38 A L E +AB 3 48A 1 -35,-2.2 -36,-2.2 -2,-0.4 -35,-1.4 -0.868 24.1 173.1 -88.5 115.3 1.7 6.3 67.4 39 39 A D E - 0 0 62 8,-2.2 2,-0.3 -2,-0.7 9,-0.2 0.757 56.8 -26.5 -93.6 -32.0 -1.1 3.7 67.1 40 40 A G E - B 0 47A 3 7,-2.0 7,-2.5 2,-0.1 -1,-0.3 -0.980 31.0-145.1-171.8 162.7 0.6 0.8 65.3 41 41 A T > + 0 0 44 -2,-0.3 3,-0.5 5,-0.2 2,-0.2 -0.248 50.4 150.8-128.8 46.4 3.4 -0.3 63.0 42 42 A N G > + 0 0 98 1,-0.2 3,-1.6 2,-0.1 -2,-0.1 -0.486 55.7 5.6 -84.4 147.7 1.5 -3.2 61.4 43 43 A N G 3 S- 0 0 131 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.746 125.9 -58.1 61.3 35.1 2.0 -4.6 57.9 44 44 A G G < S+ 0 0 55 -3,-0.5 177,-0.4 1,-0.3 -1,-0.3 0.577 120.4 92.0 72.0 11.1 5.1 -2.5 56.8 45 45 A G S < S- 0 0 0 -3,-1.6 2,-0.4 175,-0.1 -1,-0.3 -0.615 73.2-115.1-124.0-178.6 3.1 0.7 57.4 46 46 A I E - C 0 219A 0 173,-2.1 173,-1.1 -2,-0.2 2,-0.5 -0.979 14.9-162.3-124.3 136.2 2.5 3.2 60.2 47 47 A Q E +B 40 0A 23 -7,-2.5 -8,-2.2 -2,-0.4 -7,-2.0 -0.983 32.1 141.7-116.3 126.0 -0.8 3.9 61.9 48 48 A W E -BC 38 216A 0 168,-1.6 168,-3.0 -2,-0.5 2,-0.3 -0.931 26.5-163.5-155.7 172.1 -0.9 7.2 63.8 49 49 A S E -BC 37 215A 0 -12,-2.1 -12,-3.2 -2,-0.3 2,-0.3 -0.968 8.8-146.5-154.9 169.7 -3.1 10.1 64.7 50 50 A T E -BC 36 214A 0 164,-2.4 164,-2.5 -2,-0.3 2,-0.4 -0.966 7.0-160.2-147.3 132.3 -2.9 13.7 66.0 51 51 A A E +BC 35 213A 27 -16,-1.8 -16,-2.2 -2,-0.3 2,-0.3 -0.914 25.7 158.2-110.3 140.3 -5.4 15.6 68.2 52 52 A W E -BC 34 212A 8 160,-2.4 160,-2.5 -2,-0.4 2,-0.3 -0.993 32.8-167.5-159.5 159.6 -5.4 19.3 68.4 53 53 A E E +B 33 0A 86 -20,-2.1 -20,-1.6 -2,-0.3 2,-0.4 -0.926 19.9 175.0-148.8 126.4 -7.0 22.7 69.1 54 54 A W E -BC 32 209A 3 155,-2.2 155,-2.7 -2,-0.3 2,-0.3 -1.000 6.7-173.4-134.3 138.0 -5.5 26.0 68.0 55 55 A Q E +B 31 0A 83 -24,-2.3 -25,-2.6 -2,-0.4 -24,-1.3 -0.961 45.8 39.8-127.7 147.7 -6.8 29.5 68.3 56 56 A G S S+ 0 0 20 -2,-0.3 4,-0.1 -27,-0.2 -28,-0.1 0.146 87.8 42.2 97.8 150.3 -5.4 32.8 66.9 57 57 A A > - 0 0 36 1,-0.1 3,-2.0 -28,-0.1 -29,-0.1 0.925 60.5-165.2 45.8 70.5 -3.6 33.9 63.7 58 58 A P T 3 S+ 0 0 66 0, 0.0 150,-0.1 0, 0.0 -1,-0.1 0.612 83.4 52.5 -62.2 -20.0 -5.8 32.0 61.1 59 59 A D T 3 S+ 0 0 129 148,-0.1 2,-0.6 72,-0.1 -2,-0.1 0.383 94.9 89.4 -93.4 0.8 -3.4 32.5 58.2 60 60 A N S < S- 0 0 76 -3,-2.0 2,-0.3 -4,-0.1 -35,-0.0 -0.878 76.1-132.3-103.2 122.8 -0.5 31.0 60.2 61 61 A V - 0 0 17 -2,-0.6 146,-0.2 1,-0.2 -33,-0.2 -0.523 18.6-173.1 -64.2 129.3 0.3 27.3 60.3 62 62 A K - 0 0 0 144,-2.8 -37,-1.6 1,-0.3 -36,-0.5 0.718 63.7 -4.1 -89.9 -31.1 0.8 26.2 63.9 63 63 A S B -H 206 0B 0 143,-1.3 143,-2.1 -38,-0.2 -1,-0.3 -0.992 36.7-162.8-158.3 159.3 1.9 22.7 63.1 64 64 A Y - 0 0 8 -42,-2.4 141,-0.2 -2,-0.3 -42,-0.1 -0.507 23.4-172.0-142.4 71.7 2.6 19.9 60.5 65 65 A P + 0 0 0 0, 0.0 139,-1.5 0, 0.0 2,-0.3 -0.424 22.4 171.4 -62.2 142.7 2.8 16.7 62.5 66 66 A Y E -GI 20 203B 8 -46,-1.3 -46,-2.1 137,-0.2 2,-0.4 -0.970 42.7-130.3-149.6 160.0 3.9 14.0 60.1 67 67 A V E -GI 19 202B 0 135,-2.4 135,-2.4 -2,-0.3 2,-0.3 -0.954 36.6-166.5-107.4 135.9 5.1 10.5 59.5 68 68 A G E -GI 18 201B 2 -50,-2.5 -50,-2.3 -2,-0.4 2,-0.6 -0.932 23.0-124.9-124.0 147.5 8.2 10.5 57.3 69 69 A K E -G 17 0B 48 131,-3.0 131,-0.3 -2,-0.3 -52,-0.2 -0.853 33.5-126.0 -86.6 121.5 10.1 7.8 55.4 70 70 A Q - 0 0 80 -54,-2.4 2,-0.3 -2,-0.6 129,-0.1 -0.458 35.9-174.9 -63.2 138.9 13.7 7.7 56.6 71 71 A I - 0 0 45 127,-0.2 2,-0.2 -2,-0.1 -55,-0.0 -0.971 28.4-111.3-137.9 148.5 16.1 8.0 53.6 72 72 A Q > - 0 0 143 -2,-0.3 3,-0.5 1,-0.1 125,-0.1 -0.588 43.5-110.1 -73.7 145.2 19.8 7.9 53.0 73 73 A R T 3 S+ 0 0 156 -2,-0.2 38,-0.1 1,-0.2 125,-0.1 -0.412 92.4 44.8 -71.4 150.5 21.3 11.3 52.1 74 74 A G T 3 + 0 0 33 123,-0.4 2,-0.9 36,-0.3 -1,-0.2 0.598 63.4 145.6 96.6 14.9 22.5 11.9 48.6 75 75 A R < - 0 0 52 -3,-0.5 122,-2.5 122,-0.4 -1,-0.2 -0.763 41.2-144.9 -85.9 104.2 19.8 10.4 46.4 76 76 A K B > -J 196 0B 72 -2,-0.9 3,-1.0 120,-0.2 4,-0.4 -0.490 12.9-131.3 -65.8 137.9 19.6 12.5 43.3 77 77 A I G > S+ 0 0 0 118,-2.6 3,-1.4 115,-0.6 116,-0.2 0.883 105.4 60.4 -62.4 -38.1 15.9 12.8 42.2 78 78 A S G 3 S+ 0 0 36 114,-1.8 -1,-0.3 117,-0.3 115,-0.1 0.803 107.2 46.7 -56.7 -31.2 16.8 11.9 38.6 79 79 A D G < S+ 0 0 124 -3,-1.0 2,-0.5 113,-0.3 -1,-0.3 0.339 84.9 103.2-100.0 3.7 18.2 8.6 39.8 80 80 A I < - 0 0 2 -3,-1.4 3,-0.1 -4,-0.4 -5,-0.0 -0.798 54.6-165.2 -79.1 125.4 15.3 7.7 42.0 81 81 A N - 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