==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDOGLUCANASE 27-OCT-97 1NLR . COMPND 2 MOLECULE: ENDO-1,4-BETA-GLUCANASE; . SOURCE 2 FRAGMENT: CATALYTIC DOMAIN; . AUTHOR G.SULZENBACHER,C.DUPONT,G.J.DAVIES . 222 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 42.3 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 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 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 PARALLEL BRIDGES PER LADDER . 2 3 2 1 3 2 1 0 1 0 1 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 0 1 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 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 D 0 0 135 0, 0.0 2,-0.4 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 151.1 50.0 38.3 -1.0 2 2 A T E -A 34 0A 70 32,-1.6 32,-2.6 2,-0.0 2,-0.4 -0.973 360.0-150.9-129.6 121.5 51.2 35.4 1.2 3 3 A T E -A 33 0A 88 -2,-0.4 2,-0.5 30,-0.2 30,-0.2 -0.713 12.1-172.7 -96.2 136.3 50.2 31.8 0.7 4 4 A I E +A 32 0A 15 28,-3.0 28,-2.4 -2,-0.4 7,-0.1 -0.969 20.9 158.1-126.1 120.9 50.0 29.5 3.7 5 5 A a + 0 0 65 -2,-0.5 25,-0.4 26,-0.2 -1,-0.1 0.542 43.5 109.6-115.8 -16.2 49.4 25.7 3.3 6 6 A E S > S- 0 0 115 1,-0.2 3,-1.9 2,-0.1 15,-0.2 -0.415 78.1-123.5 -57.8 138.5 50.9 24.5 6.6 7 7 A P T 3 S+ 0 0 23 0, 0.0 16,-2.9 0, 0.0 -1,-0.2 0.766 108.2 29.1 -55.8 -40.5 48.0 23.4 8.8 8 8 A F T 3 S+ 0 0 138 14,-0.2 -2,-0.1 13,-0.1 2,-0.1 0.131 91.6 133.6-110.5 22.0 48.9 25.8 11.6 9 9 A G < + 0 0 15 -3,-1.9 12,-2.3 11,-0.1 13,-0.5 -0.330 29.2 179.6 -72.7 148.4 50.5 28.5 9.6 10 10 A T E +F 20 0B 59 10,-0.2 2,-0.3 11,-0.1 10,-0.2 -0.945 10.8 179.4-144.6 162.4 49.7 32.2 10.2 11 11 A T E -F 19 0B 34 8,-1.9 8,-3.3 -2,-0.3 2,-0.3 -0.933 26.2-112.3-152.8 173.1 50.7 35.6 8.9 12 12 A T E -F 18 0B 76 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.830 22.7-164.8-117.8 147.3 49.7 39.2 9.5 13 13 A I E >> S+F 17 0B 9 4,-2.1 3,-2.9 -2,-0.3 4,-2.0 -0.896 70.6 5.9-127.9 153.3 47.9 41.7 7.3 14 14 A Q T 34 S- 0 0 95 22,-0.4 -1,-0.1 1,-0.3 22,-0.1 0.778 117.0 -80.1 50.9 27.6 47.5 45.5 7.4 15 15 A G T 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.680 126.9 59.1 51.5 19.0 50.0 45.5 10.4 16 16 A R T <4 S+ 0 0 124 -3,-2.9 2,-0.4 1,-0.3 -2,-0.2 0.576 84.3 64.2-150.3 -16.9 47.1 44.4 12.7 17 17 A Y E < -F 13 0B 8 -4,-2.0 -4,-2.1 53,-0.1 2,-0.5 -0.934 62.4-134.0-119.5 157.2 45.3 41.2 12.0 18 18 A V E -FG 12 61B 1 43,-2.5 43,-2.1 -2,-0.4 2,-0.4 -0.902 11.0-155.4-104.9 133.8 46.4 37.6 11.9 19 19 A V E -FG 11 60B 0 -8,-3.3 -8,-1.9 -2,-0.5 2,-0.4 -0.864 17.5-170.4-100.5 131.3 45.4 35.3 9.1 20 20 A Q E -FG 10 59B 10 39,-3.1 39,-1.9 -2,-0.4 -10,-0.2 -0.996 28.4-158.0-128.8 133.4 45.4 31.6 10.1 21 21 A N - 0 0 0 -12,-2.3 36,-0.3 -2,-0.4 -1,-0.1 0.894 27.8-179.2 -66.7 -49.2 45.0 28.5 7.9 22 22 A N + 0 0 25 -13,-0.5 35,-1.9 1,-0.2 2,-1.5 0.862 7.0 172.4 53.2 54.1 43.8 26.6 11.1 23 23 A R > + 0 0 47 -16,-2.9 3,-0.6 33,-0.2 -1,-0.2 -0.433 19.8 143.6 -93.1 66.3 43.3 23.2 9.4 24 24 A W T 3 + 0 0 122 -2,-1.5 32,-0.2 1,-0.2 -1,-0.2 0.702 63.5 44.2 -81.7 -18.6 42.7 21.4 12.6 25 25 A G T 3 S+ 0 0 34 30,-2.4 2,-0.3 -3,-0.2 -1,-0.2 -0.006 104.1 54.5-121.7 26.5 40.1 18.9 11.4 26 26 A S < - 0 0 26 -3,-0.6 4,-0.1 29,-0.2 20,-0.1 -0.989 52.0-154.7-151.3 153.5 41.2 17.5 8.1 27 27 A T S S+ 0 0 133 -2,-0.3 3,-0.1 2,-0.1 19,-0.1 0.450 70.6 95.3-106.4 -6.0 44.3 15.8 6.7 28 28 A A S S- 0 0 24 17,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.506 91.7 -79.7 -84.8 155.3 43.7 16.8 3.1 29 29 A P + 0 0 63 0, 0.0 16,-2.7 0, 0.0 2,-0.3 -0.257 50.9 172.1 -55.9 137.7 45.5 19.9 1.8 30 30 A Q E + B 0 44A 2 -25,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.981 3.8 178.8-143.9 136.6 44.1 23.4 2.6 31 31 A a E - B 0 43A 6 12,-2.2 11,-2.0 -2,-0.3 12,-1.6 -0.992 11.2-161.4-135.3 149.6 45.8 26.7 1.9 32 32 A V E -AB 4 41A 0 -28,-2.4 -28,-3.0 -2,-0.3 2,-0.5 -0.893 10.3-147.1-124.2 153.8 44.8 30.3 2.5 33 33 A T E -AB 3 40A 5 7,-2.7 7,-2.4 -2,-0.3 -30,-0.2 -0.988 14.7-142.9-123.0 113.5 46.3 33.4 0.7 34 34 A A E -AB 2 39A 3 -32,-2.6 -32,-1.6 -2,-0.5 5,-0.3 -0.508 21.9-171.2 -73.9 134.8 46.5 36.5 2.9 35 35 A T - 0 0 29 3,-3.0 -21,-0.2 -2,-0.2 -1,-0.0 -0.585 42.8 -83.6-114.3-170.4 45.8 39.7 0.9 36 36 A D S S+ 0 0 121 -2,-0.2 -22,-0.4 1,-0.2 179,-0.0 0.924 126.3 18.7 -64.0 -41.4 46.1 43.3 1.8 37 37 A T S S- 0 0 63 177,-0.2 179,-0.8 -24,-0.1 2,-0.2 0.522 133.7 -29.6-113.3 2.1 42.7 43.4 3.5 38 38 A G S S- 0 0 0 177,-0.2 -3,-3.0 -5,-0.1 2,-0.3 -0.659 70.1 -89.0-175.4-134.9 41.8 39.8 4.2 39 39 A F E -BC 34 213A 2 174,-2.0 174,-3.1 -5,-0.3 2,-0.4 -0.987 16.8-140.1-159.3 162.3 42.4 36.3 2.8 40 40 A R E -BC 33 212A 102 -7,-2.4 -7,-2.7 -2,-0.3 2,-0.7 -0.967 24.1-121.7-126.9 149.3 41.1 33.8 0.4 41 41 A V E +B 32 0A 3 170,-3.4 169,-2.9 -2,-0.4 -9,-0.3 -0.811 33.7 176.3 -81.3 114.0 40.8 30.0 0.7 42 42 A T E + 0 0 55 -11,-2.0 2,-0.3 -2,-0.7 -10,-0.2 0.661 66.4 14.0-103.2 -12.2 42.9 28.9 -2.3 43 43 A Q E +B 31 0A 68 -12,-1.6 -12,-2.2 165,-0.1 -1,-0.3 -0.960 57.1 162.9-150.7 139.8 42.7 25.1 -1.7 44 44 A A E +B 30 0A 4 -2,-0.3 165,-0.3 -14,-0.2 -14,-0.2 -0.452 18.8 179.4-156.4 72.5 40.4 23.2 0.6 45 45 A D + 0 0 72 -16,-2.7 -17,-0.2 163,-0.1 -2,-0.0 -0.286 38.0 39.0 -76.1 162.8 40.4 19.5 -0.3 46 46 A G - 0 0 32 -19,-0.1 161,-1.4 -20,-0.1 2,-0.4 0.008 67.1-110.1 90.8 164.6 38.4 16.8 1.4 47 47 A S B -H 206 0B 79 159,-0.2 159,-0.3 7,-0.1 158,-0.1 -1.000 16.1-157.8-140.1 135.9 35.0 16.4 2.9 48 48 A A - 0 0 10 157,-3.2 7,-0.1 -2,-0.4 -22,-0.0 -0.911 39.5 -95.3-113.1 141.4 34.0 16.0 6.6 49 49 A P > - 0 0 84 0, 0.0 3,-1.7 0, 0.0 157,-0.0 -0.354 30.8-131.1 -54.6 132.2 30.6 14.4 7.5 50 50 A T T 3 S+ 0 0 34 1,-0.3 82,-0.4 81,-0.1 156,-0.0 0.553 102.7 62.3 -70.2 -6.3 28.0 17.2 8.0 51 51 A N T 3 S+ 0 0 140 80,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.254 107.6 49.3 -95.6 4.0 26.8 15.8 11.3 52 52 A G S < S- 0 0 35 -3,-1.7 -4,-0.1 1,-0.2 0, 0.0 -0.537 104.4 -47.1-124.7-164.2 30.2 16.3 12.8 53 53 A A - 0 0 60 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.313 60.0-110.1 -68.2 154.3 32.9 18.9 13.2 54 54 A P - 0 0 10 0, 0.0 151,-0.2 0, 0.0 -1,-0.1 -0.100 29.2-106.0 -73.3 175.9 34.0 20.9 10.1 55 55 A K S S- 0 0 2 149,-3.0 -30,-2.4 1,-0.2 2,-0.3 0.748 83.7 -39.2 -76.1 -25.2 37.4 20.5 8.5 56 56 A S - 0 0 0 148,-0.5 -33,-0.2 -32,-0.2 -1,-0.2 -0.965 45.6-113.6-178.5-179.7 38.9 23.7 9.8 57 57 A Y - 0 0 4 -35,-1.9 146,-0.2 -36,-0.3 -37,-0.1 -0.470 28.2-172.9-145.1 73.5 38.3 27.4 10.5 58 58 A P + 0 0 0 0, 0.0 144,-2.1 0, 0.0 2,-0.3 -0.466 32.7 139.7 -66.4 130.8 40.5 29.5 8.2 59 59 A S E -GI 20 201B 0 -39,-1.9 -39,-3.1 142,-0.2 2,-0.4 -0.979 51.4-116.6-167.1 170.2 40.0 33.0 9.5 60 60 A V E -GI 19 200B 0 140,-2.8 140,-2.5 -2,-0.3 2,-0.3 -0.951 36.7-177.6-122.9 144.0 41.4 36.5 10.3 61 61 A F E -GI 18 199B 0 -43,-2.1 -43,-2.5 -2,-0.4 2,-0.4 -0.988 31.2-147.7-149.3 155.9 41.4 37.9 13.8 62 62 A N E S+ I 0 198B 11 136,-2.3 136,-2.4 -2,-0.3 2,-0.3 -0.967 74.8 28.4-112.8 129.3 42.2 40.7 16.2 63 63 A G E S- I 0 197B 0 -2,-0.4 7,-2.4 134,-0.2 2,-0.5 -0.825 99.5 -39.1 123.7-159.9 43.2 39.5 19.6 64 64 A b E +P 69 0C 4 132,-2.4 2,-0.5 -2,-0.3 5,-0.3 -0.945 43.8 176.3-119.3 121.4 44.9 36.5 21.2 65 65 A H E > S-P 68 0C 29 3,-2.4 3,-1.6 -2,-0.5 49,-0.1 -0.932 75.9 -29.7-126.3 104.8 44.3 33.0 20.0 66 66 A Y T 3 S- 0 0 96 -2,-0.5 48,-0.3 49,-0.4 -1,-0.1 0.924 127.2 -42.2 47.4 59.5 46.4 30.3 21.7 67 67 A T T 3 S+ 0 0 94 46,-2.5 2,-1.0 1,-0.2 -1,-0.3 0.205 115.7 114.5 82.8 -19.0 49.4 32.5 22.3 68 68 A N E < -P 65 0C 52 -3,-1.6 -3,-2.4 45,-0.1 2,-0.5 -0.756 44.6-178.5 -87.9 103.8 49.2 34.1 18.9 69 69 A b E -P 64 0C 54 -2,-1.0 -5,-0.2 -5,-0.3 3,-0.1 -0.895 28.7-115.9-108.6 129.9 48.3 37.8 19.4 70 70 A S > - 0 0 3 -7,-2.4 3,-1.6 -2,-0.5 2,-0.1 -0.197 50.5 -80.6 -60.3 153.6 47.8 40.2 16.5 71 71 A P T 3 S- 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -8,-0.0 -0.370 109.5 -7.3 -62.8 122.2 50.3 43.0 16.2 72 72 A G T 3 S+ 0 0 78 1,-0.2 -2,-0.1 -3,-0.1 -56,-0.0 0.692 87.4 174.3 66.1 27.1 49.4 45.8 18.6 73 73 A T < - 0 0 31 -3,-1.6 -1,-0.2 1,-0.1 146,-0.1 -0.273 33.9-147.3 -65.7 149.2 46.0 44.4 19.7 74 74 A D + 0 0 108 3,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.451 60.0 134.5 -89.4 -5.2 44.1 46.2 22.5 75 75 A L + 0 0 8 1,-0.1 121,-0.1 2,-0.1 2,-0.1 -0.710 35.8 54.9 -98.3 157.2 42.7 42.8 23.5 76 76 A P S S+ 0 0 30 0, 0.0 2,-0.3 0, 0.0 120,-0.2 0.404 80.9 165.9 -70.6 139.5 42.3 41.2 25.8 77 77 A V E -J 195 0B 18 118,-1.7 118,-2.4 -2,-0.1 2,-0.3 -0.919 41.3-107.9-124.8 145.5 40.3 44.1 27.1 78 78 A R E > -J 194 0B 107 -2,-0.3 3,-2.0 116,-0.2 116,-0.2 -0.625 25.9-134.9 -78.8 134.7 37.9 44.3 30.1 79 79 A L G > S+ 0 0 7 114,-3.0 3,-1.3 -2,-0.3 113,-0.2 0.778 100.2 60.1 -64.4 -29.6 34.3 44.6 28.8 80 80 A D G 3 S+ 0 0 90 111,-0.4 -1,-0.3 113,-0.3 112,-0.1 0.532 102.7 54.2 -81.3 -1.0 33.3 47.3 31.3 81 81 A T G < S+ 0 0 63 -3,-2.0 2,-0.7 1,-0.0 -1,-0.3 0.374 90.1 96.9-103.2 -2.0 36.0 49.6 29.9 82 82 A V < + 0 0 15 -3,-1.3 140,-0.3 -4,-0.2 3,-0.1 -0.851 43.0 177.8 -96.1 121.5 34.7 49.2 26.3 83 83 A S S S- 0 0 93 138,-2.1 2,-0.3 -2,-0.7 139,-0.2 0.762 77.9 -10.6 -83.2 -30.7 32.4 51.8 24.9 84 84 A A B -Q 221 0D 18 137,-1.6 137,-3.9 2,-0.1 -1,-0.3 -0.969 45.7-160.7-165.8 149.3 32.3 50.0 21.6 85 85 A A - 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