==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(GLUCANASE) 11-MAR-94 1CPM . COMPND 2 MOLECULE: CIRCULARLY PERMUTED; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS MACERANS; . AUTHOR M.HAHN,U.HEINEMANN . 214 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 67.8 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 . 91 42.5 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 . 3 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 . 23 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.4 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 . 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 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 . 4 0 3 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 1 1 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 F 0 0 27 0, 0.0 188,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 147.8 33.9 -14.4 0.5 2 2 A D E +aB 189 208A 24 206,-3.6 206,-2.8 186,-0.2 188,-0.2 -0.922 360.0 179.3-113.1 136.8 30.4 -15.2 1.6 3 3 A a E -a 190 0A 0 186,-2.6 188,-2.5 -2,-0.4 2,-0.4 -0.607 17.4-116.3-125.3-171.9 29.6 -15.9 5.2 4 4 A A E +C 125 0B 0 121,-1.6 121,-1.7 186,-0.2 2,-0.3 -0.988 20.9 174.1-144.5 144.4 26.6 -16.7 7.4 5 5 A E E -C 124 0B 6 172,-0.4 172,-2.4 -2,-0.4 2,-0.4 -0.983 6.7-171.0-147.8 125.4 24.5 -15.4 10.2 6 6 A Y E +CD 123 176B 0 117,-2.4 117,-2.3 -2,-0.3 2,-0.3 -0.978 20.1 173.7-115.7 129.8 21.3 -16.9 11.8 7 7 A R E -CD 122 175B 48 168,-2.7 168,-2.8 -2,-0.4 115,-0.2 -0.984 32.0-102.9-141.6 159.3 19.5 -14.7 14.3 8 8 A S E - D 0 174B 0 113,-2.3 166,-0.3 -2,-0.3 165,-0.1 -0.333 16.8-143.9 -78.5 151.7 16.3 -14.6 16.3 9 9 A T S S+ 0 0 46 164,-2.3 165,-0.1 -2,-0.1 2,-0.1 0.790 83.4 54.3 -86.6 -25.0 13.5 -12.4 15.2 10 10 A N S S- 0 0 91 163,-0.6 111,-0.4 111,-0.1 2,-0.3 -0.488 83.9-114.3-103.6-179.2 12.5 -11.5 18.7 11 11 A I - 0 0 98 109,-0.1 2,-0.3 -2,-0.1 109,-0.2 -0.786 24.3-163.2-110.6 154.2 14.5 -10.1 21.7 12 12 A Y B -I 119 0C 25 107,-2.5 107,-1.9 -2,-0.3 3,-0.1 -0.980 3.3-168.1-136.4 148.9 15.4 -11.7 25.0 13 13 A G - 0 0 8 -2,-0.3 80,-0.1 1,-0.3 104,-0.1 -0.025 50.3 -7.3-113.8-147.0 16.6 -10.5 28.4 14 14 A Y S S+ 0 0 58 102,-0.2 142,-1.7 141,-0.1 -1,-0.3 -0.120 86.1 93.7 -49.1 138.1 18.0 -11.8 31.6 15 15 A G E S-JK 93 155D 0 78,-2.0 78,-2.6 140,-0.2 2,-0.5 -0.932 78.5 -60.5 158.7-179.1 18.1 -15.5 31.8 16 16 A L E -JK 92 154D 51 138,-1.8 138,-2.3 -2,-0.3 2,-0.5 -0.877 42.1-161.3 -98.3 128.5 20.4 -18.6 31.1 17 17 A Y E +JK 91 153D 0 74,-3.5 74,-1.9 -2,-0.5 2,-0.4 -0.935 11.9 178.8-111.0 117.9 21.6 -19.1 27.5 18 18 A E E +JK 90 152D 45 134,-3.0 134,-2.6 -2,-0.5 2,-0.3 -0.950 3.0 177.1-120.5 142.6 22.9 -22.6 26.5 19 19 A V E -JK 89 151D 0 70,-2.2 70,-2.4 -2,-0.4 2,-0.6 -0.995 21.8-149.6-142.9 135.7 24.2 -23.7 23.1 20 20 A S E +JK 88 150D 8 130,-2.9 129,-3.1 -2,-0.3 130,-0.9 -0.945 43.1 150.3-104.4 115.1 25.6 -27.0 22.0 21 21 A M E -JK 87 148D 0 66,-2.1 66,-1.4 -2,-0.6 127,-0.2 -0.941 44.8-149.3-144.8 169.9 28.1 -26.2 19.1 22 22 A K E - K 0 147D 44 125,-3.0 125,-2.1 -2,-0.3 61,-0.2 -0.910 28.8-150.3-140.4 98.8 31.3 -27.1 17.2 23 23 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 123,-0.1 -0.162 21.4 -97.9 -69.0 175.0 33.2 -24.1 15.8 24 24 A A - 0 0 5 28,-0.2 2,-0.5 120,-0.1 7,-0.1 -0.663 28.3-137.1 -93.5 148.6 35.3 -24.0 12.7 25 25 A K + 0 0 103 -2,-0.3 2,-0.2 120,-0.2 30,-0.1 -0.881 51.0 102.3-108.8 120.9 39.1 -24.3 12.8 26 26 A N > - 0 0 32 -2,-0.5 3,-1.1 28,-0.5 30,-0.2 -0.779 68.9 -93.8 174.5 140.1 41.3 -22.0 10.7 27 27 A T T 3 S+ 0 0 49 -2,-0.2 112,-0.6 1,-0.2 109,-0.2 -0.324 104.5 30.5 -60.4 152.1 43.4 -18.9 11.1 28 28 A G T 3 S+ 0 0 1 107,-2.5 100,-2.6 1,-0.2 2,-0.3 0.346 100.6 92.2 85.4 -3.6 41.6 -15.6 10.4 29 29 A I E < -E 127 0B 0 -3,-1.1 25,-2.5 106,-0.3 26,-0.5 -0.769 53.0-150.9-125.2 168.7 38.0 -16.5 11.4 30 30 A V E -EF 126 53B 0 96,-2.3 96,-1.9 -2,-0.3 2,-0.4 -0.996 1.6-166.3-136.1 137.4 35.5 -16.5 14.3 31 31 A S E +EF 125 52B 0 21,-1.7 21,-2.7 -2,-0.4 2,-0.3 -0.983 31.7 174.3-116.2 135.6 32.6 -18.8 15.0 32 32 A S E -EF 124 51B 1 92,-2.2 92,-0.9 -2,-0.4 2,-0.4 -0.894 40.6-156.0-149.4 174.2 30.2 -17.4 17.7 33 33 A F E +EF 123 50B 0 17,-2.6 17,-2.1 -2,-0.3 2,-0.3 -0.969 41.2 138.9-143.7 123.4 27.2 -17.3 19.9 34 34 A F E -EF 122 49B 16 88,-2.0 88,-3.8 -2,-0.4 2,-0.3 -0.991 46.6-118.2-163.0 165.1 26.0 -14.1 21.3 35 35 A T E -EF 121 48B 4 13,-1.6 13,-0.9 -2,-0.3 2,-0.4 -0.820 38.3-179.6-104.0 146.4 23.2 -11.6 22.2 36 36 A Y E +EF 120 47B 60 84,-2.3 84,-3.3 -2,-0.3 2,-0.3 -0.970 18.9 161.1-155.9 143.1 23.1 -8.3 20.5 37 37 A T E + F 0 46B 7 9,-1.9 9,-2.1 -2,-0.4 82,-0.1 -0.979 15.9 152.7-153.7 148.8 21.3 -5.1 20.3 38 38 A G > - 0 0 0 -2,-0.3 3,-1.0 7,-0.2 6,-0.2 -0.975 55.7 -61.4-163.6 176.0 22.1 -1.7 19.0 39 39 A P G > S+ 0 0 90 0, 0.0 3,-3.9 0, 0.0 5,-0.1 0.690 115.8 70.7 -34.5 -40.7 21.2 1.6 17.6 40 40 A A G 3 S+ 0 0 84 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.297 109.0 41.3 -67.6 15.5 19.8 0.1 14.4 41 41 A H G < S- 0 0 91 -3,-1.0 -1,-0.3 2,-0.2 3,-0.1 -0.032 128.5-104.6-149.2 20.0 17.2 -1.0 16.9 42 42 A G S < S+ 0 0 73 -3,-3.9 2,-0.3 1,-0.2 -2,-0.1 0.760 83.8 111.5 55.3 36.4 17.2 2.3 18.6 43 43 A T S S- 0 0 46 -5,-0.2 -1,-0.2 1,-0.1 -2,-0.2 -0.866 74.7 -92.9-130.4 172.3 19.2 1.1 21.6 44 44 A Q - 0 0 78 -2,-0.3 2,-0.9 -6,-0.2 -1,-0.1 -0.315 60.8 -91.8 -69.4 160.0 22.5 1.5 23.3 45 45 A W + 0 0 88 -7,-0.1 23,-3.1 21,-0.1 2,-0.4 -0.729 57.1 166.8 -87.0 111.8 24.9 -1.2 22.1 46 46 A D E +F 37 0B 5 -9,-2.1 -9,-1.9 -2,-0.9 2,-0.3 -0.983 3.1 155.1-124.8 130.5 24.6 -4.2 24.4 47 47 A E E -FG 36 65B 22 18,-1.9 18,-2.5 -2,-0.4 2,-0.4 -0.986 26.3-160.1-155.0 144.6 26.1 -7.6 23.6 48 48 A I E -FG 35 64B 1 -13,-0.9 -13,-1.6 -2,-0.3 2,-0.3 -0.997 28.5-153.6-125.1 127.4 27.4 -10.7 25.5 49 49 A D E -FG 34 63B 1 14,-3.1 14,-1.0 -2,-0.4 2,-0.4 -0.822 33.3-178.1-117.2 156.4 29.7 -13.0 23.6 50 50 A I E +FG 33 62B 0 -17,-2.1 -17,-2.6 -2,-0.3 2,-0.4 -0.959 32.6 172.7-133.7 103.8 30.9 -16.5 23.2 51 51 A E E -FG 32 61B 17 10,-2.5 10,-2.4 -2,-0.4 2,-0.6 -0.977 26.3-156.0-124.2 136.5 33.5 -16.6 20.4 52 52 A F E -F 31 0B 0 -21,-2.7 -21,-1.7 -2,-0.4 2,-0.8 -0.922 15.2-145.5-109.3 117.1 35.9 -19.2 19.1 53 53 A L E > -F 30 0B 21 -2,-0.6 3,-2.7 3,-0.4 -23,-0.2 -0.756 10.6-146.6 -80.1 114.7 39.0 -17.7 17.3 54 54 A G G > S+ 0 0 2 -25,-2.5 3,-0.5 -2,-0.8 -28,-0.5 0.742 92.4 75.2 -57.3 -25.7 39.6 -20.3 14.6 55 55 A K G 3 S+ 0 0 98 -26,-0.5 -1,-0.3 1,-0.3 -28,-0.2 0.798 115.7 14.7 -57.4 -23.8 43.3 -19.7 15.0 56 56 A D G X + 0 0 60 -3,-2.7 3,-1.2 -30,-0.2 -3,-0.4 -0.595 61.9 179.6-156.6 92.2 43.2 -21.7 18.2 57 57 A T T < S+ 0 0 1 -3,-0.5 25,-3.1 1,-0.3 26,-0.3 0.164 74.8 78.3 -77.2 15.7 40.2 -23.8 18.9 58 58 A T T 3 S+ 0 0 53 23,-0.3 20,-2.4 24,-0.1 21,-0.7 0.298 96.2 54.9-101.7 5.6 41.6 -25.1 22.2 59 59 A K E < - H 0 77B 80 -3,-1.2 2,-0.4 18,-0.2 -6,-0.2 -0.907 67.5-152.8-133.3 164.5 40.6 -21.8 23.7 60 60 A V E - H 0 76B 2 16,-2.3 16,-2.8 -2,-0.3 2,-0.5 -0.980 10.3-144.1-136.3 143.4 37.4 -19.7 24.0 61 61 A Q E -GH 51 75B 8 -10,-2.4 -10,-2.5 -2,-0.4 2,-0.3 -0.965 11.6-167.5-112.0 129.3 37.0 -15.9 24.4 62 62 A F E +GH 50 74B 1 12,-2.7 12,-2.0 -2,-0.5 2,-0.3 -0.832 21.5 147.8-107.5 146.9 34.3 -14.4 26.5 63 63 A N E -G 49 0B 1 -14,-1.0 -14,-3.1 -2,-0.3 2,-0.3 -0.957 20.7-166.8-164.4 171.6 33.5 -10.6 26.3 64 64 A Y E -G 48 0B 7 -2,-0.3 8,-0.4 -16,-0.2 2,-0.4 -0.963 9.8-145.3-163.7 160.2 30.5 -8.2 26.6 65 65 A Y E -G 47 0B 51 -18,-2.5 -18,-1.9 -2,-0.3 2,-0.4 -0.986 6.7-168.3-132.7 143.4 29.7 -4.6 25.8 66 66 A T B > S-Q 69 0E 25 3,-2.0 3,-2.4 -2,-0.4 -20,-0.2 -0.998 81.9 -12.3-131.7 119.2 27.5 -2.2 27.7 67 67 A N T 3 S- 0 0 94 -2,-0.4 -21,-0.2 1,-0.3 -1,-0.1 0.865 131.1 -53.5 57.7 34.9 26.5 1.0 26.0 68 68 A G T 3 S+ 0 0 29 -23,-3.1 2,-0.6 1,-0.2 -1,-0.3 0.456 110.1 124.8 80.7 -0.3 29.1 0.3 23.4 69 69 A V B < +Q 66 0E 93 -3,-2.4 -3,-2.0 -24,-0.3 -1,-0.2 -0.854 27.8 153.7-101.3 125.2 31.9 -0.1 25.9 70 70 A G + 0 0 16 -2,-0.6 -5,-0.1 -5,-0.2 -1,-0.1 0.192 22.3 124.9-112.0-128.8 33.8 -3.4 25.7 71 71 A G + 0 0 59 1,-0.1 -6,-0.1 -2,-0.0 -1,-0.1 0.761 44.9 117.0 71.2 30.1 37.2 -4.4 26.7 72 72 A H + 0 0 41 -8,-0.4 -10,-0.1 2,-0.0 -1,-0.1 -0.060 37.5 156.5-113.0 23.4 36.2 -7.3 28.9 73 73 A E + 0 0 101 -10,-0.1 2,-0.3 -12,-0.1 -10,-0.2 -0.225 15.6 178.3 -53.6 141.6 37.9 -10.0 26.9 74 74 A K E -H 62 0B 95 -12,-2.0 -12,-2.7 2,-0.0 2,-0.5 -0.912 10.8-161.7-146.5 114.9 38.8 -13.1 28.8 75 75 A V E -H 61 0B 72 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.823 12.1-171.7-100.2 131.3 40.4 -16.1 27.0 76 76 A I E -H 60 0B 18 -16,-2.8 -16,-2.3 -2,-0.5 2,-0.6 -0.947 24.4-121.1-126.0 147.8 40.2 -19.4 28.7 77 77 A S E -H 59 0B 83 -2,-0.4 -18,-0.2 -18,-0.2 -19,-0.0 -0.795 18.3-161.1 -85.9 125.2 41.9 -22.7 27.9 78 78 A L - 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