==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-DEC-09 3L6N . COMPND 2 MOLECULE: METALLO-BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHRYSEOBACTERIUM INDOLOGENES; . AUTHOR Y.YAMAGUCHI,H.KUROSAKI,Y.YAMAGATA . 218 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 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 . 1 0.5 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 . 21 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 18.3 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+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 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 1 2 1 1 0 0 0 0 1 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 0 1 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 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 21 A Q 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.1 -26.0 19.3 5.4 2 22 A V - 0 0 114 1,-0.1 2,-1.8 2,-0.1 3,-0.2 -0.284 360.0-121.1 -61.7 136.8 -28.6 19.4 2.6 3 23 A K + 0 0 147 1,-0.2 -1,-0.1 53,-0.0 50,-0.0 -0.599 56.5 146.4 -80.7 81.0 -30.0 16.0 1.6 4 24 A D + 0 0 54 -2,-1.8 -1,-0.2 17,-0.1 -2,-0.1 0.403 30.8 114.1 -99.8 -0.7 -29.0 16.1 -2.1 5 25 A F - 0 0 23 -3,-0.2 2,-0.5 15,-0.1 15,-0.2 -0.377 59.3-138.1 -70.9 153.9 -28.2 12.4 -2.4 6 26 A V E -A 19 0A 57 13,-2.2 13,-2.9 -2,-0.1 2,-0.6 -0.965 10.3-161.5-121.8 119.5 -30.5 10.5 -4.8 7 27 A I E -A 18 0A 27 -2,-0.5 11,-0.2 11,-0.2 27,-0.0 -0.923 23.6-143.6 -99.7 119.2 -31.9 7.0 -4.1 8 28 A E - 0 0 26 9,-2.6 9,-0.1 -2,-0.6 3,-0.1 -0.357 32.1 -80.9 -78.8 158.7 -33.0 5.5 -7.4 9 29 A P - 0 0 102 0, 0.0 8,-0.2 0, 0.0 -1,-0.1 -0.412 64.0-110.4 -57.2 133.5 -36.0 3.3 -7.9 10 30 A P - 0 0 48 0, 0.0 2,-0.6 0, 0.0 3,-0.4 -0.195 13.9-117.8 -74.2 160.7 -34.8 -0.2 -6.8 11 31 A I B > S-B 15 0A 46 4,-3.1 4,-1.8 1,-0.2 3,-0.4 -0.878 95.8 -14.6 -92.2 122.1 -34.2 -3.3 -8.8 12 32 A K T 4 S- 0 0 145 -2,-0.6 2,-2.3 1,-0.2 -1,-0.2 0.910 118.6 -69.0 43.9 56.1 -36.6 -6.0 -7.6 13 33 A N T 4 S+ 0 0 126 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.0 -0.248 129.7 45.9 79.0 -50.7 -37.6 -4.3 -4.4 14 34 A N T 4 S+ 0 0 30 -2,-2.3 23,-2.5 -3,-0.4 2,-0.7 0.681 84.4 83.8-109.3 -23.4 -34.4 -4.5 -2.4 15 35 A L E < -BC 11 36A 0 -4,-1.8 -4,-3.1 21,-0.2 2,-0.4 -0.783 58.7-173.0 -93.3 117.9 -31.3 -3.5 -4.5 16 36 A H E - C 0 35A 3 19,-3.2 19,-2.5 -2,-0.7 2,-0.4 -0.895 21.8-152.4-116.8 137.7 -30.8 0.2 -4.6 17 37 A I E - C 0 34A 1 -2,-0.4 -9,-2.6 17,-0.2 2,-0.4 -0.876 22.9-172.0 -93.1 132.3 -28.4 2.5 -6.6 18 38 A Y E -AC 7 33A 0 15,-2.7 15,-3.2 -2,-0.4 2,-0.4 -0.995 10.1-151.6-129.2 142.8 -27.7 5.7 -4.7 19 39 A K E -AC 6 32A 25 -13,-2.9 -13,-2.2 -2,-0.4 2,-0.3 -0.911 12.2-176.1-113.3 133.5 -25.9 8.8 -5.9 20 40 A T E - C 0 31A 1 11,-2.3 11,-2.3 -2,-0.4 2,-0.3 -0.900 13.2-140.1-125.2 161.4 -23.9 11.2 -3.7 21 41 A F E + C 0 30A 44 -2,-0.3 2,-0.3 9,-0.2 29,-0.3 -0.876 16.4 178.3-125.7 148.5 -22.1 14.4 -4.6 22 42 A G E - C 0 29A 2 7,-2.1 7,-3.1 -2,-0.3 2,-0.5 -0.991 25.3-128.7-147.3 146.7 -18.9 16.2 -3.7 23 43 A V E + C 0 28A 84 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.857 32.9 166.9 -96.8 124.9 -17.2 19.4 -4.8 24 44 A F E > - C 0 27A 81 3,-2.7 3,-1.5 -2,-0.5 -2,-0.1 -0.997 67.2 -4.5-139.6 130.1 -13.6 19.0 -5.9 25 45 A G T 3 S- 0 0 90 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.880 129.8 -54.9 52.2 42.3 -11.5 21.7 -7.8 26 46 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.476 119.8 95.8 77.6 5.2 -14.5 24.0 -8.0 27 47 A K E < S-C 24 0A 128 -3,-1.5 -3,-2.7 -5,-0.0 2,-0.4 -0.945 71.6-123.2-128.3 145.6 -16.8 21.5 -9.7 28 48 A E E -C 23 0A 106 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.759 29.8-170.6 -89.5 134.6 -19.4 19.1 -8.4 29 49 A Y E -C 22 0A 95 -7,-3.1 -7,-2.1 -2,-0.4 2,-0.3 -0.856 12.0-137.1-122.3 157.1 -19.0 15.4 -9.1 30 50 A S E -C 21 0A 13 -2,-0.3 171,-0.7 -9,-0.2 2,-0.4 -0.835 10.5-165.8-113.5 148.7 -21.2 12.4 -8.6 31 51 A A E -CD 20 200A 0 -11,-2.3 -11,-2.3 -2,-0.3 2,-0.5 -0.998 14.5-140.9-131.1 136.7 -20.4 8.9 -7.3 32 52 A N E +C 19 0A 0 167,-3.0 2,-0.2 -2,-0.4 -13,-0.2 -0.856 28.8 164.2 -98.9 124.8 -22.7 5.9 -7.6 33 53 A S E -C 18 0A 0 -15,-3.2 -15,-2.7 -2,-0.5 2,-0.3 -0.671 21.3-137.2-123.1-179.8 -22.9 3.5 -4.7 34 54 A M E -CE 17 45A 0 11,-2.2 11,-3.2 -17,-0.3 2,-0.3 -0.959 9.9-164.0-137.0 158.1 -25.4 0.8 -3.8 35 55 A Y E -CE 16 44A 0 -19,-2.5 -19,-3.2 -2,-0.3 2,-0.5 -0.994 9.0-150.9-139.5 153.8 -27.4 -0.6 -0.9 36 56 A L E -CE 15 43A 0 7,-2.7 7,-2.6 -2,-0.3 2,-0.4 -0.974 10.7-142.7-125.6 120.9 -29.2 -3.8 -0.4 37 57 A V E + E 0 42A 11 -23,-2.5 2,-0.3 -2,-0.5 5,-0.2 -0.675 28.5 175.0 -79.9 131.4 -32.2 -4.2 1.9 38 58 A T E > - E 0 41A 2 3,-1.4 3,-1.5 -2,-0.4 88,-0.2 -0.866 47.1-102.9-129.4 168.0 -32.2 -7.6 3.7 39 59 A K T 3 S+ 0 0 176 87,-2.6 87,-0.1 -2,-0.3 3,-0.1 0.702 123.1 45.7 -62.5 -18.6 -34.4 -9.2 6.4 40 60 A K T 3 S- 0 0 152 1,-0.4 -1,-0.3 27,-0.0 2,-0.2 0.212 127.7 -70.9-110.9 14.3 -31.7 -8.4 9.0 41 61 A G E < -E 38 0A 0 -3,-1.5 -3,-1.4 85,-0.1 -1,-0.4 -0.712 65.3 -48.0 124.4-177.2 -30.9 -4.8 8.0 42 62 A V E -Ef 37 69A 0 26,-3.2 28,-2.7 -2,-0.2 29,-1.2 -0.765 37.3-151.9-103.1 137.3 -29.3 -2.8 5.2 43 63 A V E -Ef 36 71A 0 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.4 -0.924 12.7-149.2-105.0 123.8 -25.9 -3.5 3.6 44 64 A L E -Ef 35 72A 0 27,-2.9 29,-3.1 -2,-0.5 2,-0.6 -0.771 5.0-157.6 -89.8 138.6 -24.1 -0.5 2.1 45 65 A F E S-Ef 34 73A 0 -11,-3.2 -11,-2.2 -2,-0.4 29,-0.2 -0.927 75.3 -19.2-113.3 100.3 -21.8 -0.9 -0.9 46 66 A D S S- 0 0 0 27,-2.6 -1,-0.3 -2,-0.6 -12,-0.2 0.205 82.9-108.2 70.2 160.1 -19.5 2.1 -0.6 47 67 A V - 0 0 1 34,-1.6 36,-0.1 1,-0.1 -27,-0.1 -0.682 41.4 -67.4-119.9 163.2 -20.4 5.2 1.4 48 68 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.215 43.1-125.6 -50.9 141.7 -21.4 8.8 0.7 49 69 A W S S+ 0 0 34 -18,-0.1 2,-0.6 31,-0.1 32,-0.1 0.872 100.3 57.3 -57.6 -39.1 -18.5 10.8 -0.8 50 70 A E S > S- 0 0 60 -29,-0.3 3,-2.3 1,-0.1 4,-0.1 -0.860 75.4-150.5 -98.9 118.6 -18.9 13.4 1.9 51 71 A K G > S+ 0 0 126 -2,-0.6 3,-1.6 1,-0.3 4,-0.4 0.754 93.7 72.2 -57.3 -26.3 -18.4 12.0 5.5 52 72 A V G 3 S+ 0 0 98 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.633 95.9 54.4 -64.1 -10.0 -20.8 14.7 6.7 53 73 A Q G <> S+ 0 0 0 -3,-2.3 4,-2.3 1,-0.1 -1,-0.2 0.378 77.4 95.6-105.0 4.8 -23.6 12.8 5.1 54 74 A Y H <> S+ 0 0 5 -3,-1.6 4,-2.0 1,-0.2 5,-0.1 0.955 90.8 40.3 -60.2 -53.2 -23.0 9.4 6.7 55 75 A Q H > S+ 0 0 69 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.890 112.5 57.0 -63.1 -39.9 -25.6 9.9 9.4 56 76 A S H > S+ 0 0 23 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.906 107.7 47.5 -57.0 -45.2 -28.0 11.5 7.0 57 77 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.924 111.6 50.3 -63.6 -44.6 -28.0 8.5 4.8 58 78 A M H X S+ 0 0 23 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.915 111.5 48.7 -59.4 -43.6 -28.5 6.2 7.7 59 79 A D H X S+ 0 0 92 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.888 111.4 49.7 -61.6 -41.6 -31.5 8.3 8.9 60 80 A T H X S+ 0 0 35 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.918 111.3 48.7 -64.7 -44.4 -33.0 8.3 5.4 61 81 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 6,-0.6 0.902 110.4 51.6 -63.3 -41.4 -32.6 4.5 5.1 62 82 A K H X S+ 0 0 102 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.915 112.8 44.8 -60.9 -44.3 -34.2 4.0 8.6 63 83 A K H < S+ 0 0 193 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.895 118.2 44.3 -66.5 -38.9 -37.2 6.2 7.6 64 84 A R H < S+ 0 0 126 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.898 133.7 13.7 -72.0 -43.7 -37.6 4.5 4.2 65 85 A H H < S- 0 0 45 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.478 88.8-125.4-117.3 -7.6 -37.2 0.9 5.3 66 86 A N S < S+ 0 0 121 -4,-2.1 -4,-0.2 -5,-0.4 -3,-0.1 0.765 77.1 113.1 60.3 27.3 -37.5 0.9 9.1 67 87 A L - 0 0 43 -6,-0.6 -2,-0.2 -5,-0.0 -1,-0.2 -0.950 62.9-128.3-130.9 148.6 -34.2 -0.9 9.1 68 88 A P - 0 0 72 0, 0.0 -26,-3.2 0, 0.0 2,-0.5 -0.479 34.0 -99.8 -85.8 160.3 -30.6 -0.0 10.3 69 89 A V E +f 42 0A 7 -28,-0.2 -26,-0.2 -2,-0.1 3,-0.1 -0.752 43.2 173.7 -74.3 125.4 -27.4 -0.3 8.3 70 90 A V E + 0 0 42 -28,-2.7 24,-0.8 -2,-0.5 2,-0.3 0.491 58.8 21.4-115.7 -8.0 -25.9 -3.5 9.5 71 91 A A E -fg 43 94A 2 -29,-1.2 -27,-2.9 22,-0.2 2,-0.4 -0.975 54.8-158.9-159.1 147.0 -22.9 -3.9 7.2 72 92 A V E -fg 44 95A 1 22,-1.8 24,-3.0 -2,-0.3 2,-0.5 -0.993 9.6-165.9-130.4 123.1 -20.7 -1.7 4.9 73 93 A F E -fg 45 96A 5 -29,-3.1 -27,-2.6 -2,-0.4 2,-0.4 -0.939 8.9-150.7-107.9 131.5 -18.6 -3.2 2.1 74 94 A A - 0 0 2 22,-2.6 24,-0.3 -2,-0.5 3,-0.1 -0.862 9.2-161.3-102.7 133.3 -15.8 -1.1 0.4 75 95 A T S S- 0 0 2 -2,-0.4 69,-2.1 1,-0.2 2,-0.3 0.487 77.5 -16.7 -94.7 -5.9 -15.0 -1.7 -3.2 76 96 A H S S- 0 0 1 67,-0.2 6,-1.2 2,-0.2 -1,-0.2 -0.929 76.2 -89.8-174.0-173.6 -11.6 0.0 -2.8 77 97 A S S S+ 0 0 0 -2,-0.3 6,-0.1 4,-0.2 4,-0.0 0.580 79.2 112.6 -83.4 -10.9 -9.7 2.4 -0.4 78 98 A H S >>>S- 0 0 22 4,-0.1 3,-2.2 1,-0.1 5,-1.7 -0.082 79.9-105.3 -68.8 162.7 -10.6 5.8 -1.8 79 99 A D T 345S+ 0 0 88 1,-0.3 5,-0.2 3,-0.2 -32,-0.1 0.762 119.5 53.3 -57.0 -32.0 -12.8 8.4 -0.1 80 100 A D T 345S+ 0 0 10 3,-0.1 -1,-0.3 2,-0.1 -31,-0.1 0.343 122.0 30.4 -85.1 7.2 -15.8 7.7 -2.4 81 101 A R T <45S+ 0 0 0 -3,-2.2 -34,-1.6 -35,-0.2 -4,-0.2 0.517 136.5 9.7-128.2 -88.4 -15.6 4.0 -1.5 82 102 A A T <5S+ 0 0 0 -6,-1.2 -3,-0.2 -4,-0.7 -5,-0.1 0.871 85.2 168.6 -64.1 -37.4 -14.3 3.0 1.9 83 103 A G < - 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