==== 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 06-MAY-97 1AJK . COMPND 2 MOLECULE: CIRCULARLY PERMUTED (1-3,1-4)-BETA-D-GLUCAN 4- . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS MACERANS; . AUTHOR J.AY,U.HEINEMANN . 413 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 44.6 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 . 30 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 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 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 . 8 0 6 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 0 2 0 0 2 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 N 0 0 151 0, 0.0 2,-0.4 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0-100.8 12.7 8.8 19.4 2 2 A T + 0 0 42 102,-0.7 101,-0.3 338,-0.1 3,-0.1 -0.489 360.0 171.9 -63.3 122.9 10.7 6.6 21.8 3 3 A G - 0 0 15 -2,-0.4 100,-2.0 1,-0.3 2,-0.3 0.468 48.9 -15.6 -99.3-130.0 12.9 6.4 24.9 4 4 A I E -A 102 0A 7 98,-0.2 25,-2.6 96,-0.1 2,-0.4 -0.655 63.2-174.1 -89.6 134.3 11.9 4.8 28.2 5 5 A V E -AB 101 28A 2 96,-2.5 96,-2.0 -2,-0.3 2,-0.4 -1.000 12.2-170.2-130.4 134.2 8.2 4.1 28.8 6 6 A S E +AB 100 27A 0 21,-2.2 21,-2.7 -2,-0.4 2,-0.3 -0.971 26.2 178.0-117.6 140.5 6.5 2.8 32.0 7 7 A S E -AB 99 26A 2 92,-2.2 92,-0.6 -2,-0.4 2,-0.3 -0.920 37.2-162.3-144.3 166.7 2.8 1.8 31.5 8 8 A F E +AB 98 25A 0 17,-2.1 17,-2.1 -2,-0.3 2,-0.3 -0.951 41.7 145.3-142.5 121.3 -0.5 0.5 32.8 9 9 A F E -AB 97 24A 16 88,-2.6 88,-3.0 -2,-0.3 2,-0.4 -0.987 46.1-122.0-155.9 162.9 -2.9 -0.7 30.1 10 10 A T E -AB 96 23A 5 13,-2.0 13,-1.1 -2,-0.3 2,-0.4 -0.901 37.2-177.0-103.8 153.7 -5.5 -3.2 28.9 11 11 A Y E +AB 95 22A 58 84,-2.1 84,-3.0 -2,-0.4 2,-0.3 -0.995 22.7 155.3-154.4 142.0 -4.9 -5.2 25.8 12 12 A T E + B 0 21A 5 9,-1.2 9,-1.3 -2,-0.4 82,-0.1 -0.951 22.6 137.2-149.1 156.4 -6.4 -7.7 23.5 13 13 A G > > - 0 0 0 -2,-0.3 3,-3.1 7,-0.2 5,-1.4 -0.952 64.3 -43.9 179.5-172.9 -5.5 -8.3 19.8 14 14 A P G > 5S+ 0 0 98 0, 0.0 3,-2.5 0, 0.0 5,-0.1 0.839 121.5 63.0 -54.0 -28.8 -4.8 -11.0 17.2 15 15 A A G 3 5S+ 0 0 95 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.640 109.9 44.5 -63.6 -16.8 -2.6 -13.3 19.3 16 16 A H G < 5S- 0 0 78 -3,-3.1 -1,-0.3 2,-0.2 3,-0.1 0.235 125.0-107.2-107.7 3.3 -5.7 -13.7 21.5 17 17 A G T < 5S+ 0 0 70 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.785 85.4 97.9 80.0 28.2 -7.9 -14.1 18.4 18 18 A T S -B 5 0A 64 -2,-0.5 3,-2.0 3,-0.4 -23,-0.2 -0.873 14.3-137.7 -90.8 132.5 7.7 8.8 28.9 29 29 A G T 3 S+ 0 0 12 -25,-2.6 3,-0.4 -2,-0.5 -1,-0.1 0.657 96.2 73.8 -64.2 -19.1 10.9 9.0 31.0 30 30 A K T 3 S+ 0 0 160 -26,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.747 117.1 11.4 -67.7 -25.1 12.0 12.2 29.1 31 31 A D X + 0 0 54 -3,-2.0 3,-0.7 3,-0.1 -3,-0.4 -0.676 61.7 175.1-155.4 94.7 9.4 14.2 31.0 32 32 A T T 3 S+ 0 0 0 -3,-0.4 25,-2.9 -2,-0.2 26,-0.3 0.160 72.6 80.9 -86.8 16.5 7.7 12.5 34.0 33 33 A T T 3 S+ 0 0 49 23,-0.2 20,-2.8 24,-0.1 21,-0.6 0.273 94.9 56.0 -90.5 -2.7 5.8 15.8 34.9 34 34 A K E < - D 0 52A 74 -3,-0.7 2,-0.3 18,-0.3 -6,-0.2 -0.957 69.1-155.5-123.7 160.5 3.3 14.7 32.1 35 35 A V E - D 0 51A 2 16,-2.1 16,-2.8 -2,-0.3 2,-0.4 -0.968 12.1-141.6-131.0 148.4 1.2 11.6 31.5 36 36 A Q E -CD 26 50A 39 -10,-2.8 -10,-2.6 -2,-0.3 2,-0.4 -0.938 11.9-166.5-113.5 127.2 -0.1 10.3 28.1 37 37 A F E +CD 25 49A 1 12,-2.6 12,-2.3 -2,-0.4 2,-0.3 -0.886 21.8 145.8-105.8 147.1 -3.5 8.8 27.6 38 38 A N E -C 24 0A 1 -14,-1.4 -14,-2.8 -2,-0.4 2,-0.3 -0.960 22.2-162.9-164.5 170.5 -4.5 6.9 24.5 39 39 A Y E -C 23 0A 7 -2,-0.3 8,-0.4 -16,-0.2 2,-0.4 -0.955 10.3-144.0-161.0 154.5 -6.5 4.0 23.2 40 40 A Y E -C 22 0A 50 -18,-2.8 -18,-2.3 -2,-0.3 2,-0.5 -0.988 8.2-168.7-121.3 137.1 -6.9 1.7 20.1 41 41 A T B > S-G 44 0B 10 3,-1.8 3,-2.1 -2,-0.4 -20,-0.2 -0.994 82.3 -16.5-124.5 116.8 -10.2 0.4 18.8 42 42 A N T 3 S- 0 0 98 -2,-0.5 -21,-0.2 1,-0.3 -1,-0.1 0.888 131.1 -51.9 54.9 40.1 -9.8 -2.3 16.1 43 43 A G T 3 S+ 0 0 10 -23,-2.5 2,-0.6 1,-0.2 -1,-0.3 0.432 109.7 127.1 81.5 -3.3 -6.1 -1.2 15.7 44 44 A V B < +G 41 0B 29 -3,-2.1 -3,-1.8 -24,-0.3 -1,-0.2 -0.852 26.8 156.9 -96.2 118.1 -7.1 2.4 15.2 45 45 A G + 0 0 15 -2,-0.6 -5,-0.1 331,-0.5 -1,-0.1 0.276 23.8 121.5-108.6-136.6 -5.2 4.8 17.5 46 46 A G + 0 0 61 1,-0.1 -6,-0.1 331,-0.0 -1,-0.1 0.666 47.5 114.6 83.0 18.3 -4.4 8.5 17.1 47 47 A H + 0 0 45 -8,-0.4 2,-0.1 2,-0.0 -10,-0.1 0.035 37.4 154.3-108.4 28.0 -6.2 9.5 20.4 48 48 A E + 0 0 95 -10,-0.1 2,-0.4 -12,-0.1 -10,-0.2 -0.338 16.8 178.8 -64.7 138.2 -3.1 10.7 22.3 49 49 A K E -D 37 0A 89 -12,-2.3 -12,-2.6 -2,-0.1 2,-0.5 -0.992 12.1-158.2-132.7 123.6 -3.8 13.3 25.0 50 50 A V E -D 36 0A 78 -2,-0.4 2,-0.5 -14,-0.2 -14,-0.2 -0.894 11.0-165.2-107.0 127.9 -0.8 14.5 27.1 51 51 A I E -D 35 0A 17 -16,-2.8 -16,-2.1 -2,-0.5 2,-0.5 -0.915 18.9-131.1-109.1 135.0 -1.7 16.0 30.5 52 52 A S E -D 34 0A 84 -2,-0.5 -18,-0.3 -18,-0.2 -19,-0.0 -0.707 17.1-159.8 -78.2 128.4 0.6 18.1 32.7 53 53 A L - 0 0 25 -20,-2.8 -1,-0.1 -2,-0.5 -19,-0.1 0.751 24.5-129.4 -80.4 -31.1 0.4 16.6 36.2 54 54 A G S S+ 0 0 82 -21,-0.6 2,-0.3 1,-0.3 -20,-0.1 0.407 86.5 55.4 91.5 -0.4 1.6 19.6 38.2 55 55 A F S S- 0 0 52 -22,-0.3 2,-0.7 -23,-0.1 -2,-0.3 -0.937 95.6 -96.0-153.5 168.1 4.1 17.3 39.9 56 56 A D > - 0 0 46 -2,-0.3 3,-1.8 1,-0.1 -23,-0.2 -0.868 30.4-156.5 -97.9 106.1 7.0 14.9 38.9 57 57 A A G > S+ 0 0 0 -25,-2.9 3,-1.1 -2,-0.7 -1,-0.1 0.778 87.2 66.0 -54.4 -25.6 5.3 11.4 38.9 58 58 A S G 3 S+ 0 0 19 -26,-0.3 -1,-0.3 1,-0.2 155,-0.1 0.668 90.5 65.9 -75.6 -7.4 8.7 9.7 39.4 59 59 A K G < S- 0 0 161 -3,-1.8 2,-0.3 1,-0.1 -1,-0.2 0.535 112.2 -3.4 -92.6 -8.6 9.1 11.1 42.9 60 60 A G S < S- 0 0 23 -3,-1.1 2,-0.4 -4,-0.2 -1,-0.1 -0.974 81.1 -78.3-167.5 173.3 6.2 9.4 44.7 61 61 A F + 0 0 66 -2,-0.3 2,-0.3 149,-0.1 149,-0.2 -0.688 45.3 173.8 -87.8 137.2 3.2 7.1 44.3 62 62 A H E -H 209 0C 39 147,-1.4 147,-2.1 -2,-0.4 2,-0.6 -0.917 32.5-113.5-131.0 160.4 0.0 8.5 42.8 63 63 A T E -H 208 0C 36 -2,-0.3 15,-3.3 145,-0.2 2,-0.4 -0.888 31.4-176.1-104.2 123.3 -3.2 6.8 41.8 64 64 A Y E +HI 207 77C 0 143,-2.9 143,-2.9 -2,-0.6 2,-0.3 -0.919 11.0 169.9-113.3 148.0 -4.0 6.8 38.1 65 65 A A E -HI 206 76C 5 11,-1.9 11,-2.7 -2,-0.4 2,-0.4 -0.995 24.9-156.8-154.0 156.5 -7.3 5.3 36.8 66 66 A F E -HI 205 75C 0 139,-2.3 139,-3.1 -2,-0.3 2,-0.6 -0.998 11.3-150.6-135.5 137.5 -9.5 4.9 33.8 67 67 A D E -HI 204 74C 24 7,-3.0 7,-2.0 -2,-0.4 2,-0.7 -0.940 17.5-164.5-103.4 113.8 -13.3 4.3 33.9 68 68 A W E +HI 203 73C 3 135,-2.8 135,-2.1 -2,-0.6 5,-0.2 -0.920 19.6 159.3-108.5 106.7 -14.1 2.3 30.7 69 69 A Q E > - I 0 72C 31 3,-3.0 3,-0.8 -2,-0.7 -2,-0.0 -0.791 55.3 -91.9-120.0 179.8 -17.8 2.3 29.9 70 70 A P T 3 S+ 0 0 80 0, 0.0 19,-0.2 0, 0.0 3,-0.1 0.862 122.6 29.6 -63.8 -30.9 -19.8 1.6 26.8 71 71 A G T 3 S+ 0 0 48 1,-0.1 2,-0.3 17,-0.1 18,-0.0 0.355 124.3 11.7-111.0 0.3 -19.9 5.2 25.8 72 72 A Y E < -I 69 0C 69 -3,-0.8 -3,-3.0 2,-0.0 2,-0.4 -0.994 49.2-137.3-160.1 163.8 -16.8 6.8 27.2 73 73 A I E -IJ 68 85C 0 12,-2.1 12,-3.0 -2,-0.3 2,-0.5 -0.998 24.4-169.3-121.6 135.1 -13.4 6.4 28.8 74 74 A K E -IJ 67 84C 59 -7,-2.0 -7,-3.0 -2,-0.4 2,-0.4 -0.987 6.7-154.1-123.2 129.0 -12.6 8.9 31.7 75 75 A W E -IJ 66 83C 1 8,-3.1 7,-3.3 -2,-0.5 8,-1.3 -0.886 10.6-166.9-104.9 144.9 -9.1 9.2 33.1 76 76 A Y E -IJ 65 81C 59 -11,-2.7 -11,-1.9 -2,-0.4 2,-0.4 -0.857 14.8-159.3-126.9 151.4 -8.3 10.3 36.6 77 77 A V E > S-IJ 64 80C 12 3,-2.2 3,-1.9 -2,-0.3 -13,-0.2 -0.980 85.9 -20.5-128.9 115.3 -5.2 11.4 38.5 78 78 A D T 3 S- 0 0 73 -15,-3.3 -14,-0.1 -2,-0.4 -1,-0.1 0.902 130.5 -49.4 51.2 45.2 -5.5 11.1 42.3 79 79 A G T 3 S+ 0 0 68 -16,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.415 113.5 118.6 79.6 2.8 -9.3 11.1 42.0 80 80 A V E < -J 77 0C 82 -3,-1.9 -3,-2.2 2,-0.0 2,-0.3 -0.855 67.6-121.5-108.0 121.0 -9.5 14.2 39.8 81 81 A L E +J 76 0C 79 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.529 37.1 167.3 -59.5 131.8 -11.0 13.8 36.3 82 82 A K E + 0 0 93 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.644 58.3 7.2-119.4 -21.9 -8.4 14.9 33.7 83 83 A H E -J 75 0C 44 -8,-1.3 -8,-3.1 2,-0.0 -1,-0.4 -0.962 50.7-161.2-163.9 143.1 -9.8 13.7 30.3 84 84 A T E -J 74 0C 57 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -1.000 7.0-165.8-126.9 130.7 -12.9 12.1 28.8 85 85 A A E +J 73 0C 8 -12,-3.0 -12,-2.1 -2,-0.4 -2,-0.0 -0.936 14.8 167.7-112.9 147.8 -13.0 10.4 25.4 86 86 A T + 0 0 108 -2,-0.4 2,-0.5 -14,-0.2 3,-0.3 0.364 45.7 99.6-135.1 -1.0 -16.3 9.7 23.7 87 87 A A S S- 0 0 57 1,-0.2 -15,-0.0 0, 0.0 -16,-0.0 -0.803 96.8 -21.7-100.9 134.4 -15.3 8.7 20.2 88 88 A N S S- 0 0 94 -2,-0.5 -1,-0.2 1,-0.2 -17,-0.1 0.903 79.4-164.3 45.0 57.7 -15.0 5.1 18.8 89 89 A I - 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