==== 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 1UU4 . 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) . 9872.0 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 0 124 0, 0.0 38,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 142.1 -1.8 3.8 70.9 2 2 A I + 0 0 108 36,-1.7 2,-0.3 1,-0.2 37,-0.2 0.869 360.0 12.9 -66.4 -42.3 1.6 2.2 71.1 3 3 A R E -A 38 0A 113 35,-1.5 35,-2.4 2,-0.0 2,-0.5 -0.998 64.5-153.0-136.9 140.9 3.3 5.5 71.5 4 4 A S E -A 37 0A 65 -2,-0.3 2,-0.9 33,-0.2 33,-0.2 -0.973 8.5-169.0-115.2 117.9 2.0 9.0 72.4 5 5 A L E +A 36 0A 4 31,-3.4 31,-1.9 -2,-0.5 5,-0.2 -0.755 30.4 143.4-108.5 80.4 4.2 11.8 71.1 6 6 A a + 0 0 47 -2,-0.9 28,-0.2 29,-0.2 -1,-0.2 0.545 41.1 96.6-101.2 -8.6 2.7 14.9 72.8 7 7 A E S > S- 0 0 150 -3,-0.2 3,-2.2 1,-0.1 2,-0.3 -0.424 93.8 -86.3 -74.3 155.5 6.0 16.8 73.4 8 8 A L T 3 S+ 0 0 72 1,-0.3 14,-0.1 -2,-0.1 -1,-0.1 -0.518 119.3 2.3 -58.7 122.3 7.2 19.5 71.0 9 9 A Y T 3 S+ 0 0 112 12,-2.2 -1,-0.3 -2,-0.3 13,-0.2 0.725 89.0 178.7 60.3 28.9 9.1 17.5 68.3 10 10 A G < - 0 0 12 -3,-2.2 11,-2.6 11,-0.4 2,-0.4 -0.373 14.6-160.8 -56.3 136.4 8.3 14.2 70.0 11 11 A Y E +F 20 0B 98 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.960 25.8 175.7-138.5 140.6 9.8 11.5 67.8 12 12 A W E -F 19 0B 38 7,-2.1 7,-2.5 -2,-0.4 2,-0.3 -0.983 6.9-178.9-134.7 146.8 9.7 7.8 67.0 13 13 A S E +F 18 0B 55 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.994 17.8 127.9-143.3 152.5 11.5 5.7 64.4 14 14 A G E > +F 17 0B 23 3,-2.2 3,-2.0 -2,-0.3 -2,-0.0 -0.845 59.7 31.0 173.0 154.2 11.4 2.1 63.4 15 15 A N T 3 S- 0 0 120 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.761 129.2 -59.2 57.8 24.9 11.0 -0.3 60.5 16 16 A G T 3 S+ 0 0 23 1,-0.3 54,-2.5 53,-0.1 -1,-0.3 0.583 119.9 98.7 79.3 10.9 12.6 2.4 58.2 17 17 A Y E < -FG 14 69B 11 -3,-2.0 -3,-2.2 52,-0.2 -1,-0.3 -0.784 53.4-159.6-119.5 166.5 10.0 5.0 59.0 18 18 A E E -FG 13 68B 24 50,-2.0 50,-2.6 -2,-0.3 2,-0.3 -0.971 3.6-155.6-146.0 159.2 9.8 7.9 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 11.5-171.1-137.8 134.9 7.0 10.0 63.1 20 20 A L E -FG 11 66B 20 46,-2.1 2,-1.8 -2,-0.3 46,-1.2 -0.989 30.1-141.6-137.6 129.4 7.3 13.5 64.4 21 21 A N - 0 0 0 -11,-2.6 -12,-2.2 -2,-0.4 2,-1.8 -0.622 38.6-173.7 -79.4 78.7 5.0 15.8 66.5 22 22 A N + 0 0 21 -2,-1.8 42,-2.3 -13,-0.2 2,-1.6 -0.501 21.6 161.9 -91.3 71.2 6.2 18.6 64.2 23 23 A L > + 0 0 1 -2,-1.8 3,-1.6 40,-0.2 4,-0.2 -0.351 14.1 152.4 -88.5 58.1 4.7 21.7 65.8 24 24 A W T 3 S+ 0 0 128 -2,-1.6 39,-0.2 1,-0.3 -1,-0.2 0.678 71.2 37.3 -68.8 -21.9 7.1 24.0 63.9 25 25 A G T > S+ 0 0 7 37,-2.0 3,-2.0 -3,-0.2 -1,-0.3 0.182 78.3 116.2-110.0 14.4 4.8 27.0 63.8 26 26 A K G X + 0 0 56 -3,-1.6 3,-1.5 36,-0.6 -2,-0.1 0.711 62.6 70.9 -66.8 -20.7 3.1 26.7 67.2 27 27 A D G 3 S+ 0 0 134 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.705 92.2 60.2 -70.6 -14.9 4.6 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 0.551 87.4 97.4 -82.1 -10.7 2.2 31.9 66.2 29 29 A A < - 0 0 22 -3,-1.5 27,-0.3 -4,-0.2 3,-0.1 -0.553 62.8-155.0 -77.2 144.0 -0.8 30.3 67.9 30 30 A T S S- 0 0 109 25,-2.2 2,-0.3 1,-0.3 26,-0.2 0.618 80.1 -5.0 -88.9 -18.7 -2.7 32.2 70.6 31 31 A S E S+ B 0 55A 52 24,-1.0 24,-2.1 -5,-0.1 -1,-0.3 -0.961 91.2 62.3-163.1 158.5 -3.9 28.9 72.1 32 32 A G E - B 0 54A 34 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.487 40.3-139.0 121.4 176.5 -3.9 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 -0.940 6.9-146.1-162.1 179.4 -1.8 22.1 71.3 34 34 A Q E - B 0 52A 4 -2,-0.3 2,-0.3 -28,-0.2 18,-0.2 -0.983 2.6-160.9-159.1 141.2 -1.5 18.8 69.4 35 35 A a E - B 0 51A 11 16,-2.2 16,-1.9 -2,-0.3 2,-0.4 -0.974 9.9-148.1-127.2 148.4 -0.4 15.2 70.0 36 36 A T E -AB 5 50A 0 -31,-1.9 -31,-3.4 -2,-0.3 2,-0.4 -0.947 15.3-158.2-117.5 134.3 0.7 12.6 67.5 37 37 A Y E -AB 4 49A 50 12,-3.1 12,-2.1 -2,-0.4 2,-0.7 -0.943 15.5-144.9-120.2 130.1 -0.0 8.9 68.1 38 38 A L E +AB 3 48A 2 -35,-2.4 -36,-1.7 -2,-0.4 -35,-1.5 -0.882 24.0 174.7 -87.8 112.9 1.7 5.8 66.8 39 39 A D E - 0 0 60 8,-2.0 2,-0.3 -2,-0.7 9,-0.2 0.745 56.4 -29.3 -92.0 -29.5 -1.3 3.4 66.5 40 40 A G E - B 0 47A 4 7,-2.0 7,-2.6 -39,-0.1 -1,-0.3 -0.971 30.8-143.0-176.1 162.1 0.5 0.4 64.8 41 41 A T + 0 0 45 -2,-0.3 3,-0.5 5,-0.2 2,-0.2 -0.300 49.7 155.2-129.9 49.2 3.2 -0.8 62.5 42 42 A N > + 0 0 101 1,-0.2 3,-1.6 2,-0.1 -2,-0.1 -0.491 55.5 1.0 -81.5 142.4 1.3 -3.6 60.8 43 43 A N T 3 S- 0 0 133 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.767 126.7 -53.2 61.4 39.6 1.9 -5.1 57.4 44 44 A G T 3 S+ 0 0 56 -3,-0.5 177,-0.4 1,-0.3 -1,-0.3 0.503 121.6 88.3 74.6 6.1 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 -0.569 73.6-114.3-123.9-176.7 3.1 0.1 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 15.0-162.3-125.2 135.7 2.4 2.7 59.7 47 47 A Q E +B 40 0A 24 -7,-2.6 -8,-2.0 -2,-0.4 -7,-2.0 -0.973 31.1 145.5-114.8 128.8 -0.9 3.4 61.3 48 48 A W E -BC 38 216A 0 168,-1.8 168,-3.2 -2,-0.4 2,-0.3 -0.962 25.6-162.4-157.4 169.0 -1.0 6.7 63.2 49 49 A S E -BC 37 215A 1 -12,-2.1 -12,-3.1 -2,-0.3 2,-0.3 -0.961 6.9-150.0-152.2 165.8 -3.1 9.7 64.1 50 50 A T E -BC 36 214A 0 164,-2.4 164,-2.6 -2,-0.3 2,-0.4 -0.977 5.1-162.5-145.7 136.3 -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 -0.931 25.0 155.6-115.8 142.2 -5.4 15.3 67.5 52 52 A W E -BC 34 212A 6 160,-2.3 160,-2.5 -2,-0.4 2,-0.3 -0.997 31.6-165.0-160.7 159.0 -5.3 19.1 67.8 53 53 A E E +B 33 0A 105 -20,-2.1 -20,-1.3 -2,-0.3 2,-0.3 -0.935 21.6 174.4-148.4 131.5 -6.9 22.4 68.4 54 54 A W E -BC 32 209A 6 155,-2.4 155,-2.7 -2,-0.3 2,-0.3 -1.000 10.2-173.9-139.6 143.4 -5.3 25.8 67.4 55 55 A Q E +B 31 0A 119 -24,-2.1 -25,-2.2 -2,-0.3 -24,-1.0 -0.935 45.3 43.3-127.6 155.3 -6.3 29.4 67.4 56 56 A G S S+ 0 0 21 -2,-0.3 4,-0.2 -27,-0.3 -28,-0.1 0.113 85.6 41.2 99.0 150.9 -4.6 32.5 66.0 57 57 A A > - 0 0 35 1,-0.1 3,-2.3 2,-0.1 -29,-0.1 0.891 61.2-162.7 47.6 67.7 -2.8 33.6 62.8 58 58 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 150,-0.1 0.608 84.9 50.5 -64.4 -15.3 -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 0.360 95.2 89.6 -96.4 -0.5 -2.5 32.0 57.4 60 60 A N S < S- 0 0 76 -3,-2.3 2,-0.2 -4,-0.2 -35,-0.0 -0.880 76.4-131.0-101.3 124.0 0.3 30.5 59.6 61 61 A V - 0 0 16 -2,-0.5 146,-0.2 1,-0.2 -33,-0.2 -0.530 18.2-171.2 -63.9 131.5 0.8 26.8 59.7 62 62 A K - 0 0 0 144,-2.9 -37,-2.0 1,-0.3 -36,-0.6 0.731 64.7 -5.8 -91.2 -30.6 1.1 25.7 63.4 63 63 A S B -H 206 0B 0 143,-1.2 143,-2.0 -39,-0.2 -1,-0.3 -0.989 38.0-162.6-159.7 158.6 2.2 22.2 62.6 64 64 A Y - 0 0 5 -42,-2.3 141,-0.2 -2,-0.3 -41,-0.1 -0.521 22.2-170.6-143.9 73.0 2.8 19.4 60.1 65 65 A P + 0 0 0 0, 0.0 139,-1.5 0, 0.0 2,-0.3 -0.439 23.2 174.1 -61.8 139.2 2.9 16.1 62.0 66 66 A Y E -GI 20 203B 19 -46,-1.2 -46,-2.1 137,-0.2 2,-0.4 -0.973 40.8-133.8-147.3 157.4 4.1 13.5 59.6 67 67 A V E -GI 19 202B 0 135,-2.4 135,-2.3 -2,-0.3 2,-0.4 -0.947 35.5-165.0-105.4 137.1 5.2 10.0 59.0 68 68 A G E -GI 18 201B 1 -50,-2.6 -50,-2.0 -2,-0.4 2,-0.6 -0.946 23.8-129.5-126.3 145.6 8.4 9.8 56.9 69 69 A K E -G 17 0B 42 131,-2.7 131,-0.3 -2,-0.4 -52,-0.2 -0.863 37.5-123.9 -85.2 120.9 10.2 7.1 54.9 70 70 A Q - 0 0 72 -54,-2.5 2,-0.3 -2,-0.6 129,-0.1 -0.431 35.8-172.9 -67.5 136.9 13.8 7.3 56.1 71 71 A I - 0 0 38 127,-0.2 2,-0.3 -2,-0.1 129,-0.0 -0.968 24.9-113.8-135.4 154.0 16.2 7.8 53.2 72 72 A Q > - 0 0 153 -2,-0.3 3,-0.5 1,-0.1 125,-0.1 -0.656 38.3-113.4 -85.5 138.9 19.9 7.8 52.6 73 73 A R T 3 S+ 0 0 97 -2,-0.3 38,-0.1 1,-0.2 125,-0.1 -0.299 89.7 44.1 -71.6 154.1 21.5 11.1 51.7 74 74 A G T 3 + 0 0 40 123,-0.4 2,-0.7 36,-0.3 -1,-0.2 0.616 68.5 137.2 91.4 15.0 23.1 11.7 48.3 75 75 A R < - 0 0 71 -3,-0.5 122,-2.4 122,-0.4 -1,-0.2 -0.852 47.0-140.5 -95.7 112.3 20.5 10.1 46.0 76 76 A K B > -J 196 0B 63 -2,-0.7 3,-1.3 120,-0.2 120,-0.3 -0.434 15.2-127.2 -67.1 142.4 19.9 12.3 42.9 77 77 A I G > S+ 0 0 0 118,-2.6 3,-1.6 115,-0.6 116,-0.2 0.877 111.5 58.4 -59.1 -38.1 16.3 12.5 41.9 78 78 A S G 3 S+ 0 0 41 114,-1.7 -1,-0.3 117,-0.3 115,-0.1 0.742 104.3 53.1 -62.1 -23.5 17.3 11.4 38.4 79 79 A D G < S+ 0 0 125 -3,-1.3 2,-0.6 113,-0.3 -1,-0.3 0.291 89.0 89.4 -97.1 5.1 18.8 8.2 39.9 80 80 A I < - 0 0 2 -3,-1.6 3,-0.1 -4,-0.2 -5,-0.0 -0.936 56.0-171.8-101.4 119.2 15.6 7.3 41.7 81 81 A N + 0 0 129 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.874 64.7 7.0 -76.7 -38.0 13.4 5.1 39.5 82 82 A S - 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