==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-NOV-94 1GLH . COMPND 2 MOLECULE: 1,3-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR T.KEITEL,U.HEINEMANN . 214 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 46.3 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 . 19 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 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 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 4 2 2 2 1 3 0 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 1 0 0 0 2 0 0 0 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 Q 0 0 210 0, 0.0 68,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -52.3 19.1 -3.5 28.5 2 2 A T - 0 0 48 66,-0.1 68,-0.2 1,-0.1 66,-0.0 -0.734 360.0-104.0-100.5 149.3 21.3 -6.1 30.3 3 3 A G - 0 0 12 66,-3.2 68,-0.3 -2,-0.3 2,-0.2 -0.218 33.3-124.2 -67.8 157.5 21.8 -9.7 29.1 4 4 A G - 0 0 47 1,-0.2 -1,-0.1 66,-0.1 207,-0.1 -0.511 45.0 -56.0-100.2 170.4 20.0 -12.7 30.7 5 5 A S + 0 0 67 -2,-0.2 2,-0.3 205,-0.1 207,-0.2 0.062 64.6 165.0 -39.7 138.0 21.3 -15.9 32.3 6 6 A F E -A 211 0A 41 205,-2.2 205,-2.1 -3,-0.1 2,-0.4 -0.968 33.8-137.2-155.8 168.5 23.5 -18.0 30.0 7 7 A F E -A 210 0A 108 -2,-0.3 203,-0.2 203,-0.2 201,-0.0 -0.986 17.0-166.6-132.3 129.5 26.0 -20.9 29.9 8 8 A E E +A 209 0A 17 201,-3.3 201,-2.5 -2,-0.4 -2,-0.0 -0.963 12.6 174.4-124.9 108.8 29.1 -20.6 27.8 9 9 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 201,-0.0 0.407 41.7-126.0 -92.3 -3.8 31.1 -23.9 27.2 10 10 A F + 0 0 0 2,-0.2 32,-0.1 199,-0.1 3,-0.1 0.831 60.0 142.8 60.7 43.3 33.7 -22.5 24.7 11 11 A N S S- 0 0 114 1,-0.2 2,-0.3 34,-0.1 34,-0.2 0.774 73.1 -13.3 -81.2 -23.5 33.0 -25.0 22.0 12 12 A S S S- 0 0 78 33,-0.1 2,-0.7 28,-0.0 -1,-0.2 -0.960 83.5 -75.6-165.5 172.2 33.5 -22.4 19.2 13 13 A Y - 0 0 97 -2,-0.3 2,-0.8 -3,-0.1 28,-0.0 -0.745 37.6-167.2 -82.8 116.2 33.7 -18.7 18.5 14 14 A N >> - 0 0 85 -2,-0.7 4,-1.6 1,-0.1 3,-1.3 -0.871 1.9-168.6-109.1 97.4 30.3 -17.1 18.7 15 15 A S T 34 S+ 0 0 83 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.138 80.3 60.6 -70.7 17.2 30.8 -13.7 17.2 16 16 A G T 34 S+ 0 0 49 3,-0.0 -1,-0.3 0, 0.0 3,-0.1 0.633 115.0 28.1-118.4 -22.8 27.3 -12.6 18.4 17 17 A T T <4 S+ 0 0 27 -3,-1.3 50,-1.4 1,-0.2 51,-0.5 0.468 126.2 33.1-113.7 -11.2 27.8 -13.0 22.1 18 18 A W E < -H 66 0B 1 -4,-1.6 2,-0.3 48,-0.3 48,-0.2 -0.974 58.6-164.1-148.0 158.2 31.6 -12.4 22.3 19 19 A E E -H 65 0B 52 46,-3.0 46,-2.9 -2,-0.3 2,-0.5 -0.981 19.1-125.1-143.3 157.7 34.5 -10.5 20.7 20 20 A K E -H 64 0B 52 -2,-0.3 44,-0.2 44,-0.2 16,-0.2 -0.904 24.1-127.0 -98.9 120.9 38.3 -10.5 20.5 21 21 A A + 0 0 0 42,-2.0 42,-0.3 -2,-0.5 2,-0.3 -0.396 43.1 177.2 -63.6 139.4 40.4 -7.4 21.5 22 22 A D + 0 0 93 13,-0.2 13,-0.3 14,-0.1 3,-0.1 -0.923 41.2 4.9-153.9 134.6 42.6 -6.9 18.4 23 23 A G S S+ 0 0 49 11,-2.4 2,-0.3 -2,-0.3 12,-0.1 0.622 101.0 76.0 73.6 22.7 45.2 -4.4 17.2 24 24 A Y E -O 34 0C 94 10,-0.6 10,-2.5 3,-0.0 2,-0.3 -0.960 65.4-131.9-153.5 163.8 45.7 -2.0 20.1 25 25 A S E -O 33 0C 48 -2,-0.3 8,-0.2 8,-0.3 3,-0.1 -0.863 16.4-135.4-116.8 148.5 47.4 -2.0 23.5 26 26 A N - 0 0 75 6,-0.5 3,-0.1 -2,-0.3 7,-0.1 0.590 46.4-157.3 -78.5 -14.6 45.7 -1.0 26.7 27 27 A G > + 0 0 31 3,-0.4 3,-2.1 5,-0.4 2,-0.3 -0.007 54.8 71.8 65.6-171.0 49.0 0.9 27.4 28 28 A G T 3 S- 0 0 75 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 -0.523 123.2 -6.6 69.2-127.4 50.0 1.9 30.9 29 29 A V T 3 S+ 0 0 54 -2,-0.3 158,-1.2 -3,-0.1 2,-0.9 0.492 115.3 98.7 -74.4 -8.2 51.1 -1.2 32.8 30 30 A F B < -R 186 0D 42 -3,-2.1 -3,-0.4 156,-0.2 2,-0.3 -0.773 52.3-175.8 -85.2 103.1 49.9 -3.4 29.9 31 31 A N + 0 0 71 154,-2.5 28,-0.4 -2,-0.9 2,-0.3 -0.198 54.3 66.3 -99.2 46.8 53.1 -4.2 28.0 32 32 A a S S- 0 0 4 -2,-0.3 -6,-0.5 26,-0.1 2,-0.4 -0.978 73.8-117.9-155.4 163.1 51.5 -6.1 25.1 33 33 A T E -Op 25 60C 37 26,-1.9 28,-2.7 -2,-0.3 -8,-0.3 -0.919 32.1-117.0-108.0 131.6 49.2 -5.7 22.1 34 34 A W E -Op 24 61C 1 -10,-2.5 -11,-2.4 -2,-0.4 -10,-0.6 -0.512 33.1-173.2 -71.5 130.7 45.9 -7.5 21.9 35 35 A R > - 0 0 96 26,-2.2 3,-1.9 -13,-0.3 28,-0.2 -0.995 27.2-148.1-131.3 129.9 45.7 -9.9 18.9 36 36 A A G > S+ 0 0 20 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.824 99.7 66.6 -63.2 -31.3 42.6 -11.8 17.8 37 37 A N G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.1 25,-0.1 0.527 92.0 62.2 -68.5 -8.3 44.9 -14.6 16.7 38 38 A N G < S+ 0 0 19 -3,-1.9 12,-2.4 23,-0.3 2,-0.7 0.300 84.2 85.1 -98.8 4.1 45.8 -15.2 20.3 39 39 A V E < +B 49 0A 1 -3,-1.7 2,-0.3 10,-0.2 10,-0.2 -0.946 65.6 169.9-101.8 109.3 42.2 -16.2 21.2 40 40 A N E -B 48 0A 91 8,-2.2 8,-4.2 -2,-0.7 2,-0.5 -0.911 33.2-143.3-131.9 160.7 41.9 -19.9 20.4 41 41 A F E -B 47 0A 45 -2,-0.3 6,-0.2 6,-0.2 -28,-0.1 -0.966 25.1-141.1-115.4 117.0 39.4 -22.7 20.9 42 42 A T > - 0 0 31 4,-2.7 3,-1.1 -2,-0.5 4,-0.0 -0.245 23.1-111.5 -77.6 169.2 40.9 -26.2 21.5 43 43 A N T 3 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.717 118.4 56.5 -71.1 -24.8 39.6 -29.5 20.1 44 44 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.070 126.6 -97.8 -95.3 18.4 38.6 -30.5 23.7 45 45 A G S < S+ 0 0 7 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.893 74.7 135.8 69.3 49.2 36.5 -27.4 24.0 46 46 A K - 0 0 26 -35,-0.1 -4,-2.7 -4,-0.0 2,-0.6 -0.911 54.6-127.7-122.1 152.9 38.5 -24.8 25.9 47 47 A L E -BC 41 206A 0 159,-2.6 159,-2.5 -2,-0.3 2,-0.6 -0.816 33.8-166.0 -94.4 125.8 39.0 -21.1 25.3 48 48 A K E -BC 40 205A 60 -8,-4.2 -8,-2.2 -2,-0.6 2,-0.4 -0.915 5.6-161.1-125.2 113.9 42.8 -20.8 25.3 49 49 A L E -BC 39 204A 0 155,-2.9 155,-1.8 -2,-0.6 2,-0.3 -0.803 11.5-153.4 -95.6 132.7 44.4 -17.4 25.6 50 50 A G E - C 0 203A 3 -12,-2.4 2,-0.5 -2,-0.4 153,-0.2 -0.833 18.8-159.3-116.0 150.2 48.0 -16.9 24.5 51 51 A L E + C 0 202A 0 151,-2.4 151,-2.3 -2,-0.3 2,-0.2 -0.985 37.0 165.9-123.8 108.3 50.9 -14.5 25.4 52 52 A T E -Q 60 0C 33 8,-2.3 8,-2.9 -2,-0.5 2,-0.3 -0.747 30.1-147.6-122.2 162.9 53.3 -14.6 22.5 53 53 A S E +Q 59 0C 32 6,-0.2 6,-0.2 -2,-0.2 3,-0.1 -0.984 21.1 162.6-146.7 129.1 56.3 -12.9 20.9 54 54 A S E S+ 0 0 113 4,-0.7 2,-0.3 -2,-0.3 5,-0.1 0.242 72.2 39.9-124.0 -1.2 57.3 -12.6 17.3 55 55 A A E > S-Q 58 0C 36 3,-0.7 3,-2.0 0, 0.0 -1,-0.2 -0.969 104.8 -65.7-151.2 154.6 59.8 -9.7 17.5 56 56 A Y T 3 S- 0 0 215 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.202 114.8 -22.6 -51.1 112.9 62.5 -8.6 19.9 57 57 A N T 3 S+ 0 0 118 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.687 103.8 128.9 53.1 26.2 60.9 -7.7 23.2 58 58 A K E < - Q 0 55C 141 -3,-2.0 -4,-0.7 -26,-0.0 -3,-0.7 -0.949 43.1-159.7-111.8 111.6 57.4 -7.1 21.4 59 59 A F E - Q 0 53C 16 -2,-0.6 -26,-1.9 -28,-0.4 2,-0.5 -0.785 9.5-157.5-103.4 135.2 54.6 -9.1 23.2 60 60 A D E +pQ 33 52C 26 -8,-2.9 -8,-2.3 -2,-0.3 -26,-0.2 -0.973 22.0 176.1-112.7 119.7 51.2 -10.1 21.8 61 61 A a E -p 34 0C 0 -28,-2.7 -26,-2.2 -2,-0.5 2,-0.3 -0.485 16.1-122.6-121.4-170.0 48.5 -10.8 24.3 62 62 A A E + I 0 183B 0 121,-1.4 121,-1.7 -28,-0.2 2,-0.3 -0.990 19.4 172.8-148.0 148.6 44.7 -11.7 24.4 63 63 A E E - I 0 182B 3 -2,-0.3 -42,-2.0 -42,-0.3 2,-0.4 -0.989 8.6-166.5-149.4 140.6 41.3 -10.7 25.7 64 64 A Y E +HI 20 181B 0 117,-2.6 117,-1.9 -2,-0.3 2,-0.3 -0.991 16.5 173.9-131.1 138.1 37.8 -12.0 25.1 65 65 A R E -HI 19 180B 40 -46,-2.9 -46,-3.0 -2,-0.4 115,-0.2 -0.981 31.0 -99.9-145.9 159.7 34.6 -10.2 26.0 66 66 A S E -H 18 0B 0 113,-2.1 -48,-0.3 -2,-0.3 -49,-0.1 -0.217 13.8-146.7 -75.9 159.7 30.9 -10.2 25.8 67 67 A T S S+ 0 0 57 -50,-1.4 2,-0.1 111,-0.1 -49,-0.1 0.713 86.2 66.0 -88.4 -21.7 29.0 -8.0 23.4 68 68 A N S S- 0 0 70 -51,-0.5 111,-0.4 111,-0.1 2,-0.3 -0.444 79.1-131.2 -93.1 165.4 26.2 -7.8 26.1 69 69 A I - 0 0 60 -68,-0.4 -66,-3.2 109,-0.2 2,-0.3 -0.822 21.7-157.5-117.6 153.1 26.4 -6.1 29.6 70 70 A Y B -S 177 0E 6 107,-2.2 107,-1.4 -2,-0.3 3,-0.1 -0.975 5.8-161.9-138.8 150.4 25.2 -7.8 32.8 71 71 A G - 0 0 10 -68,-0.3 80,-0.2 1,-0.3 106,-0.1 0.029 51.8 -13.7-108.2-151.4 24.1 -6.7 36.2 72 72 A Y S S+ 0 0 71 102,-0.1 142,-0.7 78,-0.1 -1,-0.3 0.009 86.2 82.0 -49.7 153.5 23.7 -8.3 39.6 73 73 A G E S-DE 151 213A 0 78,-3.2 78,-2.8 140,-0.2 2,-0.5 -0.855 80.5 -44.9 138.3-176.2 23.9 -12.1 39.9 74 74 A L E -DE 150 212A 51 138,-1.8 138,-1.9 -2,-0.3 2,-0.5 -0.818 43.3-164.7 -95.1 124.8 26.3 -15.0 40.2 75 75 A Y E -DE 149 211A 1 74,-2.9 74,-2.2 -2,-0.5 2,-0.4 -0.981 12.7-177.2-112.1 120.7 29.3 -15.1 37.8 76 76 A E E -DE 148 210A 36 134,-3.1 134,-2.6 -2,-0.5 2,-0.3 -0.963 8.2-179.8-127.7 141.8 31.2 -18.4 37.5 77 77 A V E -DE 147 209A 0 70,-2.3 70,-2.8 -2,-0.4 2,-0.6 -0.993 19.4-153.9-135.4 144.9 34.2 -19.6 35.6 78 78 A S E +DE 146 208A 9 130,-2.7 129,-3.1 -2,-0.3 130,-1.0 -0.975 44.2 145.8-114.7 116.6 36.1 -22.9 35.3 79 79 A M E -DE 145 206A 0 66,-1.9 66,-1.0 -2,-0.6 127,-0.2 -0.983 46.9-146.6-151.7 167.6 39.8 -22.0 34.4 80 80 A K E - E 0 205A 54 125,-2.6 125,-2.7 -2,-0.3 61,-0.2 -0.939 30.1-146.8-137.4 101.8 43.5 -22.7 34.7 81 81 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 123,-0.1 -0.251 22.1 -99.6 -67.9 163.3 45.8 -19.6 34.7 82 82 A A - 0 0 4 28,-0.2 2,-0.5 120,-0.1 122,-0.1 -0.465 30.1-141.8 -81.2 149.9 49.3 -19.3 33.3 83 83 A K + 0 0 98 120,-0.2 2,-0.2 -2,-0.2 30,-0.1 -0.974 50.1 109.8-120.9 115.4 52.2 -19.6 35.7 84 84 A N S > S- 0 0 28 -2,-0.5 3,-1.1 28,-0.3 30,-0.2 -0.854 70.1 -88.2-177.1 147.9 55.1 -17.2 35.1 85 85 A T T 3 S+ 0 0 51 -2,-0.2 112,-0.5 1,-0.2 109,-0.2 -0.402 106.5 20.7 -68.1 145.9 56.6 -14.1 36.7 86 86 A G T 3 S+ 0 0 1 107,-2.7 100,-2.2 1,-0.2 110,-0.3 0.472 98.1 104.6 76.5 12.5 55.1 -10.8 35.6 87 87 A I E < -J 185 0B 0 -3,-1.1 25,-2.2 106,-0.3 26,-0.4 -0.723 49.6-149.2-122.0 170.6 51.7 -11.9 34.2 88 88 A V E -JK 184 111B 0 96,-2.0 96,-1.9 -2,-0.2 2,-0.4 -0.985 4.8-170.5-136.8 141.2 48.1 -11.8 35.0 89 89 A S E +JK 183 110B 0 21,-1.3 21,-3.2 -2,-0.4 2,-0.3 -0.990 31.3 170.4-126.8 127.0 45.3 -14.3 34.0 90 90 A S E -JK 182 109B 1 92,-2.4 92,-0.8 -2,-0.4 2,-0.3 -0.914 43.1-154.6-147.5 175.1 41.8 -13.1 34.9 91 91 A F E +JK 181 108B 2 17,-2.1 17,-2.0 -2,-0.3 2,-0.3 -0.969 41.4 146.3-139.9 120.3 38.1 -13.1 34.9 92 92 A F E -JK 180 107B 14 88,-2.9 88,-2.9 -2,-0.3 2,-0.4 -0.995 45.2-120.5-158.5 165.0 36.3 -9.8 35.5 93 93 A T E -JK 179 106B 5 13,-2.2 13,-1.0 -2,-0.3 2,-0.3 -0.854 35.9-177.4-105.1 144.9 33.4 -7.5 34.8 94 94 A Y E +JK 178 105B 53 84,-2.0 84,-2.8 -2,-0.4 2,-0.3 -0.977 20.0 157.9-149.7 137.5 34.2 -4.1 33.3 95 95 A T E + K 0 104B 6 9,-1.5 9,-1.3 -2,-0.3 82,-0.1 -0.961 26.3 145.1-145.3 147.3 32.3 -0.9 32.2 96 96 A G > > - 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