==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAY-97 1AJO . COMPND 2 MOLECULE: CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4- . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS MACERANS; . AUTHOR J.AY,U.HEINEMANN . 425 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 44.7 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 37 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 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 2 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 . 6 0 8 4 6 2 2 6 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 2 0 0 0 1 3 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 3 A G 0 0 61 0, 0.0 208,-0.1 0, 0.0 206,-0.0 0.000 360.0 360.0 360.0 48.5 -16.2 1.2 -3.8 2 4 A H + 0 0 71 206,-0.7 2,-0.1 2,-0.1 204,-0.1 -0.312 360.0 175.5-119.6 49.0 -16.4 -0.7 -0.5 3 5 A E - 0 0 109 204,-0.1 2,-0.4 202,-0.1 204,-0.2 -0.323 8.8-179.7 -64.4 132.1 -14.7 1.7 1.8 4 6 A K E -A 206 0A 85 202,-2.7 202,-2.9 -2,-0.1 2,-0.6 -0.985 11.9-158.5-132.5 119.8 -14.5 0.9 5.5 5 7 A V E -A 205 0A 78 -2,-0.4 2,-0.4 200,-0.2 200,-0.2 -0.908 14.3-166.3-101.9 120.1 -12.8 3.3 8.0 6 8 A I E -A 204 0A 20 198,-2.5 198,-1.4 -2,-0.6 2,-0.2 -0.918 21.2-125.4-108.9 132.1 -11.7 1.6 11.2 7 9 A S E -A 203 0A 81 -2,-0.4 196,-0.2 196,-0.2 195,-0.0 -0.476 18.6-163.4 -67.8 127.5 -10.6 3.2 14.5 8 10 A L - 0 0 13 194,-2.8 195,-0.1 2,-0.2 -1,-0.1 0.682 22.6-136.0 -82.1 -27.4 -7.1 1.8 15.5 9 11 A G S S+ 0 0 76 193,-0.6 2,-0.3 1,-0.2 194,-0.1 0.617 83.0 59.4 72.3 10.2 -7.1 2.8 19.2 10 12 A F S S- 0 0 53 192,-0.3 2,-0.9 191,-0.1 -2,-0.2 -0.973 93.7-100.6-152.8 164.1 -3.5 3.9 18.6 11 13 A D > - 0 0 33 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.797 28.4-158.7 -90.1 107.4 -1.5 6.4 16.4 12 14 A A G > S+ 0 0 0 189,-2.7 3,-0.7 -2,-0.9 -1,-0.1 0.731 84.8 64.9 -60.7 -22.0 -0.0 4.3 13.6 13 15 A S G 3 S+ 0 0 17 188,-0.3 -1,-0.3 1,-0.2 156,-0.1 0.642 86.9 72.6 -77.4 -8.4 2.7 6.8 12.8 14 16 A K G < S- 0 0 156 -3,-1.9 2,-0.3 1,-0.1 -1,-0.2 0.751 112.4 -28.0 -85.8 -8.9 4.4 6.4 16.2 15 17 A G S < S- 0 0 21 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.1 -0.935 81.7 -53.2 175.7 179.8 5.9 2.9 15.5 16 18 A F + 0 0 62 -2,-0.3 2,-0.3 150,-0.1 150,-0.2 -0.618 46.0 169.1 -80.7 135.5 5.6 -0.4 13.7 17 19 A H E -G 165 0B 41 148,-1.5 148,-1.7 -2,-0.3 2,-0.5 -0.875 35.2-111.8-135.4 163.3 2.5 -2.6 13.7 18 20 A T E -G 164 0B 38 -2,-0.3 15,-2.9 146,-0.2 2,-0.3 -0.884 32.4-175.5-105.6 125.1 1.5 -5.6 11.6 19 21 A Y E +GH 163 32B 0 144,-2.9 144,-2.4 -2,-0.5 2,-0.3 -0.882 11.2 166.0-116.5 151.2 -1.4 -5.2 9.1 20 22 A A E -GH 162 31B 5 11,-1.6 11,-2.4 -2,-0.3 2,-0.4 -0.994 27.3-156.6-162.3 157.0 -2.9 -8.0 7.0 21 23 A F E -GH 161 30B 0 140,-1.9 140,-2.9 -2,-0.3 2,-0.6 -0.994 15.3-146.0-140.5 135.9 -5.6 -9.2 4.8 22 24 A D E -GH 160 29B 26 7,-3.5 7,-2.1 -2,-0.4 2,-0.7 -0.949 18.9-161.5 -98.5 117.4 -6.6 -12.8 4.3 23 25 A W E +GH 159 28B 5 136,-3.2 136,-3.1 -2,-0.6 5,-0.2 -0.936 21.8 156.7-109.9 114.2 -7.8 -13.1 0.7 24 26 A Q E > - H 0 27B 27 3,-2.0 3,-1.0 -2,-0.7 -2,-0.0 -0.805 55.8 -93.9-128.3 164.3 -9.8 -16.2 -0.1 25 27 A P T 3 S+ 0 0 77 0, 0.0 19,-0.2 0, 0.0 3,-0.0 0.849 120.5 29.8 -54.8 -40.0 -12.4 -17.1 -2.7 26 28 A G T 3 S+ 0 0 48 1,-0.1 2,-0.3 17,-0.1 -3,-0.0 0.401 123.2 14.5-105.1 5.1 -15.4 -16.1 -0.6 27 29 A Y E < -H 24 0B 74 -3,-1.0 -3,-2.0 18,-0.1 2,-0.4 -0.992 51.4-137.0-161.4 169.2 -14.2 -13.4 1.7 28 30 A I E -HI 23 40B 0 12,-2.2 12,-2.5 -2,-0.3 2,-0.5 -0.994 22.9-170.1-131.0 126.7 -11.6 -10.8 2.6 29 31 A K E -HI 22 39B 51 -7,-2.1 -7,-3.5 -2,-0.4 2,-0.4 -0.986 5.5-157.5-118.8 130.7 -10.6 -10.6 6.3 30 32 A W E -HI 21 38B 2 8,-2.3 7,-3.0 -2,-0.5 8,-1.2 -0.865 8.8-169.2-108.9 140.0 -8.5 -7.7 7.6 31 33 A Y E -HI 20 36B 60 -11,-2.4 -11,-1.6 -2,-0.4 2,-0.5 -0.949 15.6-159.4-125.5 146.9 -6.4 -7.8 10.8 32 34 A V E > S-HI 19 35B 8 3,-2.2 3,-1.7 -2,-0.3 -13,-0.2 -0.992 86.6 -17.0-122.8 121.1 -4.4 -5.2 12.9 33 35 A D T 3 S- 0 0 72 -15,-2.9 -1,-0.2 -2,-0.5 -14,-0.1 0.907 130.8 -49.9 50.5 47.1 -1.7 -6.8 15.2 34 36 A G T 3 S+ 0 0 67 -16,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.319 113.6 118.9 80.2 -7.2 -3.3 -10.3 14.9 35 37 A V E < -I 32 0B 84 -3,-1.7 -3,-2.2 1,-0.0 2,-0.3 -0.804 67.7-118.5 -99.0 130.6 -6.9 -9.1 15.7 36 38 A L E +I 31 0B 81 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.425 38.6 164.9 -70.6 126.3 -9.8 -9.4 13.3 37 39 A K E + 0 0 79 -7,-3.0 2,-0.3 1,-0.3 -6,-0.2 0.654 57.6 6.2-112.7 -28.1 -11.2 -6.0 12.4 38 40 A H E -I 30 0B 42 -8,-1.2 -8,-2.3 -32,-0.0 2,-0.4 -0.960 50.5-159.9-162.1 141.4 -13.4 -6.4 9.4 39 41 A T E -I 29 0B 56 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.988 7.1-168.5-125.3 137.2 -14.9 -9.1 7.1 40 42 A A E +I 28 0B 9 -12,-2.5 -12,-2.2 -2,-0.4 -2,-0.0 -0.991 15.2 164.5-123.6 138.7 -16.2 -8.6 3.5 41 43 A T + 0 0 105 -2,-0.4 3,-0.4 -14,-0.2 2,-0.3 0.533 43.5 99.2-126.3 -11.0 -18.2 -11.2 1.6 42 44 A A S S- 0 0 55 1,-0.2 -15,-0.0 0, 0.0 -16,-0.0 -0.571 99.7 -20.4 -83.4 132.2 -19.9 -9.5 -1.4 43 45 A N S S- 0 0 121 -2,-0.3 -1,-0.2 1,-0.1 -17,-0.1 0.900 78.3-160.0 36.1 78.6 -18.3 -9.8 -4.9 44 46 A I - 0 0 21 -3,-0.4 -1,-0.1 -19,-0.2 166,-0.1 -0.635 20.6-107.7 -89.4 129.1 -14.7 -10.8 -3.8 45 47 A P - 0 0 1 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.236 32.1-178.4 -46.8 158.1 -12.0 -10.2 -6.4 46 48 A S + 0 0 68 2,-0.1 112,-0.1 112,-0.0 164,-0.1 0.444 43.9 103.3-139.7 -2.9 -10.4 -13.3 -8.0 47 49 A T S S- 0 0 28 110,-0.1 109,-0.1 1,-0.1 143,-0.1 -0.757 73.4-115.7 -93.1 130.2 -7.7 -12.1 -10.4 48 50 A P - 0 0 54 0, 0.0 109,-0.2 0, 0.0 2,-0.2 -0.253 43.3-173.6 -54.8 141.3 -4.1 -12.5 -9.2 49 51 A G B -N 156 0C 2 107,-1.9 107,-2.4 132,-0.1 2,-0.3 -0.700 26.4 -91.9-135.1 174.9 -2.3 -9.1 -8.8 50 52 A K E -B 180 0A 27 130,-3.3 130,-2.0 105,-0.2 2,-0.4 -0.696 37.3-121.3 -84.1 151.2 0.9 -7.3 -8.0 51 53 A I E -B 179 0A 0 103,-0.5 101,-2.9 -2,-0.3 2,-0.3 -0.775 42.2-179.9 -89.8 129.9 1.9 -6.4 -4.4 52 54 A M E -BC 178 151A 7 126,-3.4 126,-2.4 -2,-0.4 2,-0.3 -0.975 22.5-174.6-133.2 151.5 2.4 -2.6 -4.3 53 55 A M E +BC 177 150A 0 97,-2.4 97,-2.7 -2,-0.3 2,-0.3 -0.998 19.3 158.4-138.8 134.5 3.3 0.1 -1.7 54 56 A N E -BC 176 149A 4 122,-0.6 122,-1.9 -2,-0.3 2,-0.4 -0.978 29.3-148.2-148.7 176.0 3.3 3.9 -2.4 55 57 A L E +BC 175 148A 0 93,-2.0 93,-1.5 -2,-0.3 2,-0.3 -0.989 32.3 155.5-145.0 124.0 3.2 7.3 -0.8 56 58 A W E -B 174 0A 7 118,-2.0 118,-2.1 -2,-0.4 2,-0.4 -0.981 38.2-124.4-153.2 165.5 1.6 10.2 -2.5 57 59 A N E -B 173 0A 0 -2,-0.3 60,-2.3 116,-0.2 116,-0.2 -0.890 33.5-141.1-108.4 144.7 -0.1 13.6 -2.1 58 60 A G B -O 116 0D 8 114,-2.2 10,-0.4 -2,-0.4 2,-0.3 -0.609 11.2-158.9-107.5 166.8 -3.6 14.2 -3.7 59 61 A T S S+ 0 0 64 56,-1.7 8,-0.0 -2,-0.2 113,-0.0 -0.973 73.9 18.7-140.5 144.4 -5.4 16.9 -5.5 60 62 A G S S+ 0 0 73 -2,-0.3 3,-0.2 1,-0.1 55,-0.1 0.414 102.0 86.9 77.1 10.1 -9.1 17.5 -5.9 61 63 A V > + 0 0 31 54,-0.2 4,-2.7 5,-0.2 3,-0.4 -0.252 41.6 140.3-129.7 40.8 -10.1 15.1 -3.1 62 64 A D H > + 0 0 82 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.748 70.0 55.9 -56.7 -36.3 -9.9 17.6 -0.2 63 65 A D H 4 S+ 0 0 158 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.896 116.6 37.6 -66.9 -36.1 -13.0 16.1 1.5 64 66 A W H 4 S+ 0 0 80 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.1 0.961 134.5 17.2 -77.6 -58.4 -11.4 12.6 1.6 65 67 A L H < S- 0 0 1 -4,-2.7 107,-1.8 1,-0.2 108,-0.3 0.551 100.8-116.6 -96.0 -9.2 -7.7 13.4 2.3 66 68 A G < - 0 0 20 -4,-1.5 -1,-0.2 -5,-0.4 2,-0.2 -0.000 52.9 -62.3 80.0 161.6 -7.7 17.0 3.7 67 69 A S - 0 0 69 -5,-0.1 2,-0.4 -3,-0.1 106,-0.1 -0.567 53.7-118.8 -78.3 143.0 -5.8 19.6 1.6 68 70 A Y - 0 0 37 -10,-0.4 104,-0.2 104,-0.2 -2,-0.1 -0.714 21.0-163.8 -78.8 134.1 -2.1 19.0 1.1 69 71 A N - 0 0 103 -2,-0.4 -1,-0.1 102,-0.4 103,-0.1 0.092 42.7-106.0-106.1 17.9 -0.0 21.9 2.5 70 72 A G + 0 0 19 1,-0.2 73,-0.1 73,-0.0 -2,-0.1 0.380 59.3 161.5 76.7 -1.6 3.3 21.2 0.8 71 73 A A - 0 0 33 100,-0.1 -1,-0.2 67,-0.0 -2,-0.1 -0.265 27.8-144.5 -52.6 131.8 5.1 19.8 3.9 72 74 A N + 0 0 74 1,-0.2 66,-0.1 67,-0.0 2,-0.1 -0.948 58.3 34.6-165.0 155.7 8.2 17.8 2.8 73 75 A P + 0 0 66 0, 0.0 2,-0.3 0, 0.0 65,-0.2 0.587 68.1 172.3 -79.6 152.2 10.1 15.7 3.0 74 76 A L E -J 137 0B 25 63,-1.8 63,-2.3 -2,-0.1 2,-0.4 -0.976 11.3-160.1-126.0 143.7 7.7 13.0 4.3 75 77 A Y E -J 136 0B 101 -2,-0.3 2,-0.4 61,-0.2 61,-0.2 -0.990 15.1-167.6-135.9 141.3 8.5 9.2 4.8 76 78 A A E -J 135 0B 0 59,-1.8 59,-2.7 -2,-0.4 2,-0.4 -0.961 22.7-154.8-118.4 135.0 6.5 6.0 5.1 77 79 A E E -JK 134 166B 29 89,-2.9 89,-2.6 -2,-0.4 2,-0.4 -0.939 12.5-167.3-124.3 148.4 8.5 3.0 6.2 78 80 A Y E -JK 133 165B 0 55,-2.7 55,-3.5 -2,-0.4 87,-0.2 -0.996 5.9-174.2-130.4 123.0 8.1 -0.8 5.7 79 81 A D E - 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