==== 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 1CPN . COMPND 2 MOLECULE: CIRCULARLY PERMUTED; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS MACERANS; . AUTHOR M.HAHN,U.HEINEMANN . 208 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 69.2 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 . 95 45.7 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 . 1 0.5 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 . 23 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.7 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 . 5 0 2 2 4 1 2 2 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 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 71 0, 0.0 186,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.0 18.3 -30.0 27.1 2 2 A D E +aB 187 206A 18 204,-3.0 204,-2.5 184,-0.2 186,-0.2 -0.911 360.0 179.8-113.4 136.0 15.6 -29.1 24.7 3 3 A a E -a 188 0A 0 184,-2.6 186,-2.4 -2,-0.4 2,-0.4 -0.579 17.5-114.2-126.4-169.6 12.5 -27.3 26.0 4 4 A A E +D 125 0B 0 121,-1.5 121,-1.8 184,-0.2 2,-0.3 -0.990 20.8 175.6-143.6 143.3 9.2 -25.9 24.6 5 5 A E E -D 124 0B 10 -2,-0.4 170,-2.6 170,-0.3 2,-0.4 -0.990 6.3-170.3-141.7 132.2 7.4 -22.7 24.1 6 6 A Y E +DE 123 174B 0 117,-2.4 117,-2.2 -2,-0.3 2,-0.3 -0.971 15.3 177.4-124.6 131.4 4.0 -22.1 22.4 7 7 A R E -DE 122 173B 35 166,-2.1 166,-2.8 -2,-0.4 115,-0.2 -0.992 29.0-113.0-141.4 145.5 2.8 -18.5 21.6 8 8 A S E - E 0 172B 0 113,-2.3 164,-0.3 -2,-0.3 163,-0.1 -0.279 14.3-144.1 -72.6 155.5 -0.1 -16.8 20.0 9 9 A T S S+ 0 0 49 162,-2.4 2,-0.2 161,-0.1 163,-0.1 0.808 83.2 56.7 -90.3 -23.0 0.5 -14.9 16.8 10 10 A N S S- 0 0 85 161,-0.5 111,-0.4 111,-0.0 2,-0.2 -0.571 83.2-117.6 -97.1 176.3 -2.0 -12.2 17.7 11 11 A I - 0 0 96 -2,-0.2 2,-0.3 109,-0.1 109,-0.2 -0.718 22.0-164.4-116.0 152.6 -2.2 -9.9 20.8 12 12 A Y B -J 119 0C 30 107,-2.1 107,-1.8 -2,-0.2 3,-0.1 -0.940 4.8-167.7-136.2 153.6 -4.9 -9.7 23.4 13 13 A G - 0 0 19 1,-0.3 80,-0.2 -2,-0.3 104,-0.1 -0.051 46.5 -3.7-120.5-135.2 -5.8 -7.1 26.0 14 14 A Y S S+ 0 0 78 102,-0.1 -1,-0.3 -2,-0.1 2,-0.3 -0.257 87.6 74.2 -61.4 147.7 -7.9 -6.6 29.0 15 15 A G E S-K 93 0D 2 78,-2.3 78,-2.8 140,-0.1 2,-0.5 -0.915 84.5 -39.6 144.3-168.2 -10.2 -9.4 30.0 16 16 A L E -KL 92 154D 50 138,-2.6 138,-2.5 -2,-0.3 2,-0.5 -0.810 44.7-167.7 -96.8 121.4 -10.4 -12.8 31.6 17 17 A Y E +KL 91 153D 0 74,-3.3 74,-2.1 -2,-0.5 2,-0.4 -0.925 13.3 177.5-113.2 122.4 -7.6 -15.3 30.6 18 18 A E E +KL 90 152D 42 134,-3.1 134,-2.6 -2,-0.5 2,-0.3 -0.977 8.3 179.1-128.6 146.3 -8.2 -19.0 31.6 19 19 A V E -KL 89 151D 0 70,-2.3 70,-2.4 -2,-0.4 2,-0.6 -0.993 21.5-147.3-145.3 139.4 -6.3 -22.1 31.1 20 20 A S E +KL 88 150D 7 130,-2.0 129,-2.8 -2,-0.3 130,-0.9 -0.958 44.6 147.7-105.1 117.1 -6.9 -25.7 32.1 21 21 A M E -KL 87 148D 0 66,-1.9 66,-1.6 -2,-0.6 127,-0.2 -0.929 45.0-146.9-146.3 175.8 -3.4 -27.3 32.7 22 22 A K E - L 0 147D 49 125,-2.4 125,-2.7 -2,-0.3 61,-0.2 -0.904 28.7-147.0-149.5 103.0 -1.2 -29.7 34.7 23 23 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 123,-0.1 -0.264 20.5-101.1 -73.1 162.9 2.3 -28.6 35.2 24 24 A A - 0 0 4 28,-0.1 2,-0.5 120,-0.1 7,-0.1 -0.493 28.5-136.9 -84.7 155.8 5.4 -30.8 35.4 25 25 A K + 0 0 96 120,-0.2 2,-0.2 -2,-0.2 30,-0.1 -0.939 49.8 104.6-120.1 117.3 7.0 -31.8 38.7 26 26 A N > - 0 0 34 28,-0.7 3,-1.1 -2,-0.5 30,-0.2 -0.803 68.6 -90.3 177.9 144.2 10.7 -31.8 39.2 27 27 A T T 3 S+ 0 0 45 -2,-0.2 112,-0.6 1,-0.2 109,-0.2 -0.344 105.6 25.0 -60.1 149.5 13.3 -29.7 40.9 28 28 A G T 3 S+ 0 0 1 107,-2.8 100,-2.3 1,-0.2 110,-0.3 0.536 100.8 96.4 81.7 5.8 14.8 -26.9 38.8 29 29 A I E < -F 127 0B 0 -3,-1.1 25,-2.5 106,-0.4 26,-0.5 -0.782 50.5-154.0-129.9 168.7 12.0 -26.3 36.3 30 30 A V E -FG 126 53B 0 96,-2.1 96,-2.0 -2,-0.3 2,-0.4 -0.995 1.7-164.3-139.3 144.8 9.0 -24.1 35.6 31 31 A S E +FG 125 52B 0 21,-1.6 21,-3.2 -2,-0.3 2,-0.3 -0.957 29.4 178.6-124.0 132.7 5.8 -24.6 33.7 32 32 A S E -FG 124 51B 1 92,-2.4 92,-0.9 -2,-0.4 2,-0.3 -0.937 36.2-162.2-140.9 166.4 3.9 -21.4 32.9 33 33 A F E +FG 123 50B 0 17,-2.1 17,-2.0 -2,-0.3 2,-0.3 -0.955 40.2 141.5-140.1 124.3 1.0 -19.6 31.3 34 34 A F E -FG 122 49B 17 88,-2.5 88,-2.7 -2,-0.3 2,-0.3 -0.996 46.5-116.3-160.4 166.9 1.4 -15.8 30.8 35 35 A T E +FG 121 48B 4 13,-2.4 13,-0.8 -2,-0.3 2,-0.4 -0.775 37.8 179.9-105.9 152.4 0.9 -12.8 28.7 36 36 A Y E +FG 120 47B 49 84,-2.0 84,-2.7 -2,-0.3 2,-0.3 -0.960 24.0 164.3-159.2 138.6 3.8 -11.0 27.2 37 37 A T E - G 0 46B 7 9,-1.9 9,-1.1 -2,-0.4 82,-0.1 -0.989 22.6-176.8-141.0 139.2 4.9 -8.1 25.1 38 38 A G > - 0 0 0 -2,-0.3 3,-3.2 7,-0.2 4,-0.4 -0.925 49.6-106.0-136.0 173.0 8.4 -6.8 25.1 39 39 A P T 3 S+ 0 0 88 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.786 116.5 80.8 -59.6 -18.9 10.7 -4.1 23.6 40 40 A A T 3 S+ 0 0 85 1,-0.3 3,-0.1 2,-0.2 5,-0.0 0.744 112.0 18.8 -57.0 -21.8 11.6 -7.3 21.8 41 41 A H S < S- 0 0 95 -3,-3.2 2,-0.6 1,-0.3 -1,-0.3 0.170 123.5-122.9-125.8 -2.3 8.5 -6.3 19.9 42 42 A G S S+ 0 0 29 -4,-0.4 2,-2.2 1,-0.1 -1,-0.3 -0.839 76.7 110.8 99.2-118.1 8.9 -2.8 21.2 43 43 A T S S- 0 0 82 -2,-0.6 2,-0.2 -4,-0.2 -1,-0.1 -0.245 91.2 -73.6 58.0 -78.2 5.9 -1.7 23.1 44 44 A Q - 0 0 62 -2,-2.2 2,-0.9 2,-0.1 23,-0.1 -0.302 57.7 -84.5 148.0 127.5 7.2 -1.7 26.7 45 45 A W + 0 0 81 -2,-0.2 23,-2.8 21,-0.1 2,-0.4 -0.548 61.2 160.1 -66.1 100.4 7.8 -4.8 28.7 46 46 A D E +G 37 0B 4 -9,-1.1 -9,-1.9 -2,-0.9 2,-0.3 -0.972 7.5 159.9-119.8 132.4 4.3 -5.8 30.2 47 47 A E E -GH 36 65B 22 18,-2.0 18,-2.4 -2,-0.4 2,-0.4 -0.957 25.4-161.1-157.1 136.1 3.7 -9.4 31.3 48 48 A I E -GH 35 64B 1 -13,-0.8 -13,-2.4 -2,-0.3 2,-0.3 -0.994 24.7-161.0-120.1 129.2 1.3 -11.3 33.6 49 49 A D E -GH 34 63B 1 14,-2.4 14,-1.2 -2,-0.4 2,-0.4 -0.863 32.0-175.2-121.4 146.1 2.3 -14.7 34.8 50 50 A I E +GH 33 62B 0 -17,-2.0 -17,-2.1 -2,-0.3 2,-0.4 -0.987 31.6 177.4-122.4 114.7 1.0 -17.9 36.3 51 51 A E E -GH 32 61B 17 10,-2.6 10,-3.1 -2,-0.4 2,-0.6 -0.986 22.8-155.9-127.2 137.1 4.2 -20.0 37.0 52 52 A F E -G 31 0B 0 -21,-3.2 -21,-1.6 -2,-0.4 2,-0.7 -0.942 13.9-146.4-111.2 114.6 4.4 -23.4 38.6 53 53 A L E > -G 30 0B 21 -2,-0.6 3,-2.8 3,-0.3 -23,-0.2 -0.661 9.9-144.8 -78.9 115.2 7.8 -24.1 40.2 54 54 A G T 3 S+ 0 0 2 -25,-2.5 -28,-0.7 -2,-0.7 3,-0.5 0.748 90.7 76.3 -53.5 -26.4 8.4 -27.8 39.7 55 55 A K T 3 S+ 0 0 109 -26,-0.5 -1,-0.3 80,-0.3 2,-0.2 0.738 115.9 10.5 -58.2 -22.5 10.2 -28.0 43.0 56 56 A D X - 0 0 52 -3,-2.8 3,-1.2 -30,-0.2 -3,-0.3 -0.606 62.4-176.7-160.6 94.6 6.9 -27.8 44.7 57 57 A T T 3 S+ 0 0 0 -3,-0.5 25,-2.8 1,-0.3 26,-0.3 0.199 74.0 82.3 -81.2 18.5 3.7 -28.2 42.8 58 58 A T T 3 S+ 0 0 51 23,-0.2 20,-3.1 24,-0.1 21,-0.5 0.351 94.8 49.8 -98.4 2.5 1.5 -27.6 45.8 59 59 A K E < - I 0 77B 67 -3,-1.2 2,-0.3 18,-0.2 18,-0.2 -0.861 68.8-154.1-127.5 170.1 2.0 -23.9 45.3 60 60 A V E - I 0 76B 2 16,-2.0 16,-2.7 -2,-0.3 2,-0.5 -0.994 12.3-136.8-142.0 149.7 1.7 -21.5 42.4 61 61 A Q E -HI 51 75B 7 -10,-3.1 -10,-2.6 -2,-0.3 2,-0.3 -0.935 13.4-166.7-112.2 134.2 3.5 -18.2 41.8 62 62 A F E +HI 50 74B 1 12,-2.8 12,-2.2 -2,-0.5 2,-0.3 -0.863 21.2 150.2-112.5 147.8 1.8 -15.1 40.4 63 63 A N E -H 49 0B 0 -14,-1.2 -14,-2.4 -2,-0.3 2,-0.3 -0.950 21.4-162.6-165.5 173.1 3.7 -12.2 39.2 64 64 A Y E -H 48 0B 8 -2,-0.3 8,-0.4 -16,-0.2 2,-0.4 -0.957 9.3-148.3-163.7 154.0 3.7 -9.3 36.8 65 65 A Y E -H 47 0B 51 -18,-2.4 -18,-2.0 -2,-0.3 2,-0.5 -0.980 8.1-169.7-129.0 138.1 6.0 -6.8 35.1 66 66 A T B > S-R 69 0E 8 3,-2.4 3,-2.2 -2,-0.4 -20,-0.2 -0.994 79.3 -15.2-130.5 113.2 5.0 -3.3 34.1 67 67 A N T 3 S- 0 0 98 -2,-0.5 -21,-0.2 1,-0.3 -1,-0.1 0.900 131.2 -48.3 61.4 42.2 7.5 -1.5 32.0 68 68 A G T 3 S+ 0 0 33 -23,-2.8 2,-0.6 1,-0.2 -1,-0.3 0.416 114.5 118.8 78.1 -3.0 10.3 -3.9 32.7 69 69 A V B < +R 66 0E 85 -3,-2.2 -3,-2.4 -24,-0.3 -1,-0.2 -0.856 29.7 148.7-107.2 122.1 9.6 -3.7 36.4 70 70 A G + 0 0 18 -2,-0.6 -5,-0.1 -5,-0.2 -1,-0.1 0.278 20.3 124.4-112.1-130.8 8.6 -6.9 38.2 71 71 A G + 0 0 58 1,-0.1 -6,-0.1 -6,-0.0 -1,-0.1 0.840 43.7 121.4 69.1 37.2 9.1 -8.1 41.7 72 72 A H + 0 0 50 -8,-0.4 -10,-0.1 2,-0.1 -1,-0.1 0.066 35.3 156.8-114.6 17.8 5.5 -8.7 42.4 73 73 A E - 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