==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUN-12 4FSB . COMPND 2 MOLECULE: METALLO-BETA-LACTAMASE VIM-31; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR K.HERZOG,K.M.HOFFMANN . 464 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 24 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 2 0 0 0 2 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 4 0 4 2 0 0 0 2 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 0 2 0 0 0 0 0 0 0 0 0 1 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 29 A G 0 0 99 0, 0.0 2,-0.2 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 151.7 -18.4 13.2 -1.8 2 30 A E - 0 0 168 1,-0.1 3,-0.0 3,-0.0 0, 0.0 -0.486 360.0-115.6 -63.2 131.4 -15.1 14.5 -3.4 3 31 A Y - 0 0 22 -2,-0.2 -1,-0.1 1,-0.1 209,-0.1 -0.616 35.8-107.4 -74.0 133.1 -14.1 12.1 -6.2 4 32 A P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.333 38.9-169.7 -64.1 142.0 -10.8 10.4 -5.4 5 33 A T >> - 0 0 41 22,-0.1 3,-2.4 207,-0.0 4,-0.7 -0.677 43.5 -85.6-120.2 178.0 -7.7 11.5 -7.3 6 34 A V T 34 S+ 0 0 29 1,-0.3 3,-0.4 -2,-0.2 23,-0.1 0.749 125.3 62.3 -59.2 -23.1 -4.1 10.2 -7.6 7 35 A S T 34 S+ 0 0 72 1,-0.2 -1,-0.3 3,-0.1 0, 0.0 0.587 106.3 43.6 -83.3 -6.6 -3.2 12.2 -4.5 8 36 A E T <4 S+ 0 0 91 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.464 111.6 62.0-102.7 -6.6 -5.7 10.2 -2.4 9 37 A I S < S- 0 0 1 -4,-0.7 -1,-0.2 -3,-0.4 3,-0.1 -0.828 73.1-150.1-130.8 94.9 -4.6 6.9 -3.9 10 38 A P > - 0 0 55 0, 0.0 3,-2.4 0, 0.0 19,-0.4 -0.232 43.2 -82.8 -58.9 148.7 -1.1 5.6 -3.5 11 39 A V T 3 S+ 0 0 88 1,-0.3 19,-0.1 17,-0.1 3,-0.1 -0.280 120.5 25.2 -48.3 130.6 0.2 3.4 -6.3 12 40 A G T 3 S+ 0 0 30 17,-0.9 -1,-0.3 1,-0.4 2,-0.2 0.380 103.5 103.9 89.8 -4.2 -1.0 -0.2 -5.7 13 41 A E < - 0 0 80 -3,-2.4 16,-0.8 16,-0.1 2,-0.4 -0.667 54.6-151.6-108.0 163.9 -4.0 0.9 -3.7 14 42 A V E -A 28 0A 3 -2,-0.2 2,-0.3 50,-0.2 14,-0.2 -0.995 6.6-167.5-135.6 137.0 -7.7 1.0 -4.7 15 43 A R E -A 27 0A 67 12,-2.5 12,-2.9 -2,-0.4 2,-0.3 -0.950 12.2-141.7-121.2 151.1 -10.5 3.2 -3.5 16 44 A L E -A 26 0A 28 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.848 8.9-162.6-108.5 148.5 -14.2 2.9 -4.1 17 45 A Y E -A 25 0A 57 8,-2.3 8,-2.4 -2,-0.3 2,-0.8 -0.976 17.1-136.4-131.6 118.8 -16.7 5.7 -4.7 18 46 A Q E +A 24 0A 109 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.645 24.0 176.5 -78.1 110.8 -20.4 5.3 -4.3 19 47 A I E - 0 0 23 4,-1.7 2,-0.3 -2,-0.8 -1,-0.2 0.834 66.7 -25.3 -80.4 -40.0 -22.0 7.0 -7.3 20 48 A A E > S-A 23 0A 24 3,-1.6 3,-2.0 143,-0.0 -1,-0.3 -0.914 99.2 -41.4-158.3-178.5 -25.5 6.0 -6.4 21 49 A D T 3 S- 0 0 144 1,-0.3 3,-0.1 -2,-0.3 24,-0.0 -0.362 128.0 -4.2 -60.5 121.9 -27.4 3.4 -4.5 22 50 A G T 3 S+ 0 0 11 -2,-0.2 23,-2.9 1,-0.1 2,-0.4 0.651 115.5 102.1 67.3 17.7 -25.8 -0.0 -5.2 23 51 A V E < +AB 20 44A 1 -3,-2.0 -4,-1.7 21,-0.2 -3,-1.6 -0.989 41.8 164.3-135.3 128.9 -23.4 1.5 -7.7 24 52 A W E -AB 18 43A 25 19,-2.8 19,-2.7 -2,-0.4 2,-0.3 -0.947 27.7-137.5-130.9 156.3 -19.7 2.3 -7.3 25 53 A S E -AB 17 42A 0 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.4 -0.814 17.9-142.9 -98.5 152.1 -16.7 3.0 -9.2 26 54 A H E -AB 16 41A 2 15,-1.6 15,-2.5 -2,-0.3 2,-0.4 -0.965 16.7-162.3-109.2 140.0 -13.4 1.5 -8.3 27 55 A I E +AB 15 40A 0 -12,-2.9 -12,-2.5 -2,-0.4 2,-0.4 -0.983 10.8 177.7-128.7 126.7 -10.3 3.7 -8.8 28 56 A A E -AB 14 39A 2 11,-2.1 11,-2.8 -2,-0.4 2,-0.6 -0.998 29.4-124.6-129.0 137.2 -6.7 2.6 -9.0 29 57 A T E - B 0 38A 5 -16,-0.8 -17,-0.9 -19,-0.4 2,-0.3 -0.709 35.7-171.3 -81.5 123.0 -3.6 4.7 -9.5 30 58 A Q E - B 0 37A 12 7,-3.3 7,-2.4 -2,-0.6 2,-0.4 -0.820 17.1-136.4-114.6 157.4 -1.7 3.4 -12.5 31 59 A S E + B 0 36A 70 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.905 30.1 159.9-113.1 134.3 1.8 4.2 -14.0 32 60 A F E > - B 0 35A 102 3,-3.0 3,-2.4 -2,-0.4 376,-0.1 -0.887 60.0 -19.7-159.5 126.8 2.4 4.6 -17.8 33 61 A D T 3 S- 0 0 30 374,-0.3 375,-0.2 1,-0.3 377,-0.1 0.829 127.7 -42.4 50.3 41.9 5.0 6.1 -20.0 34 62 A G T 3 S+ 0 0 20 373,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.295 123.6 85.6 95.9 -9.0 6.4 8.4 -17.4 35 63 A A E < -B 32 0A 21 -3,-2.4 -3,-3.0 372,-0.1 2,-0.4 -0.747 61.9-138.6-125.0 163.4 3.1 9.5 -15.8 36 64 A V E +BC 31 269A 17 233,-2.6 233,-2.5 -2,-0.2 -5,-0.2 -0.951 26.8 165.3-121.5 149.3 0.5 8.3 -13.2 37 65 A Y E -B 30 0A 21 -7,-2.4 -7,-3.3 -2,-0.4 2,-0.5 -0.981 36.9-102.3-158.4 158.8 -3.2 8.5 -13.6 38 66 A P E -B 29 0A 13 0, 0.0 173,-1.6 0, 0.0 2,-0.4 -0.807 29.6-157.7 -97.1 126.6 -6.4 7.1 -12.0 39 67 A S E -BD 28 210A 7 -11,-2.8 -11,-2.1 -2,-0.5 2,-0.4 -0.893 9.1-149.2-103.2 133.3 -8.2 4.3 -13.8 40 68 A N E +B 27 0A 1 169,-2.7 -13,-0.2 -2,-0.4 2,-0.2 -0.805 20.5 165.6 -98.4 145.0 -12.0 3.7 -13.2 41 69 A G E -B 26 0A 0 -15,-2.5 -15,-1.6 -2,-0.4 2,-0.3 -0.717 30.2-112.4-132.4-168.6 -14.0 0.5 -13.2 42 70 A L E -BE 25 53A 0 11,-1.9 11,-3.4 -17,-0.3 2,-0.4 -0.912 15.1-165.0-129.8 149.8 -17.5 -0.3 -11.9 43 71 A I E -BE 24 52A 0 -19,-2.7 -19,-2.8 -2,-0.3 2,-0.4 -0.996 13.1-172.1-129.2 131.4 -19.2 -2.3 -9.2 44 72 A V E -BE 23 51A 3 7,-2.8 7,-2.6 -2,-0.4 -21,-0.2 -0.984 24.6-123.6-129.8 123.9 -22.9 -3.0 -9.3 45 73 A R E - E 0 50A 112 -23,-2.9 2,-0.4 -2,-0.4 5,-0.2 -0.459 23.5-170.8 -67.5 134.8 -25.0 -4.6 -6.5 46 74 A D E > - E 0 49A 38 3,-3.2 3,-1.7 -2,-0.2 2,-0.6 -0.828 61.4 -63.9-131.4 80.1 -26.8 -7.7 -7.9 47 75 A G T 3 S- 0 0 54 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.595 117.6 -20.9 71.7-113.5 -29.2 -8.8 -5.1 48 76 A D T 3 S+ 0 0 118 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.2 0.154 133.1 69.3-109.7 15.1 -26.9 -9.8 -2.3 49 77 A E E < S-E 46 0A 85 -3,-1.7 -3,-3.2 26,-0.2 2,-0.4 -0.709 77.3-118.4-121.6 177.2 -23.9 -10.3 -4.6 50 78 A L E -Ef 45 77A 0 26,-2.4 28,-2.0 -5,-0.2 29,-1.2 -0.951 6.5-150.5-125.4 141.8 -21.7 -8.0 -6.7 51 79 A L E -Ef 44 79A 0 -7,-2.6 -7,-2.8 -2,-0.4 2,-0.5 -0.947 19.7-153.7-102.4 124.2 -21.0 -7.6 -10.4 52 80 A L E -Ef 43 80A 1 27,-2.8 29,-2.4 -2,-0.5 2,-0.6 -0.869 4.6-157.0 -97.7 135.4 -17.6 -6.3 -11.2 53 81 A I E -Ef 42 81A 0 -11,-3.4 -11,-1.9 -2,-0.5 29,-0.2 -0.942 63.0 -14.0-113.0 115.7 -16.8 -4.4 -14.3 54 82 A D S S- 0 0 1 27,-2.9 -1,-0.1 -2,-0.6 36,-0.1 0.455 74.2 -99.3 72.6 146.8 -13.1 -4.5 -15.3 55 83 A T - 0 0 2 34,-1.2 37,-0.1 -3,-0.1 36,-0.1 -0.143 31.3-111.3 -76.3-170.2 -10.0 -5.5 -13.3 56 84 A A - 0 0 4 2,-0.3 33,-0.1 35,-0.2 36,-0.1 0.046 67.3 -88.6-111.2 23.2 -7.6 -3.0 -11.5 57 85 A W S S+ 0 0 66 34,-0.7 4,-0.3 31,-0.5 35,-0.2 0.998 91.1 9.3 66.8 84.0 -4.8 -3.8 -14.0 58 86 A G S > S- 0 0 19 33,-1.9 4,-2.2 29,-0.3 -2,-0.3 -0.172 89.2 -77.5 108.9 164.3 -2.7 -6.8 -12.8 59 87 A A H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.932 124.2 46.0 -61.5 -50.7 -2.7 -9.5 -10.2 60 88 A K H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 115.8 44.5 -62.5 -48.9 -1.5 -7.3 -7.2 61 89 A N H > S+ 0 0 26 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.864 113.2 51.6 -64.4 -35.8 -3.9 -4.4 -7.9 62 90 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.913 108.3 51.2 -74.2 -34.0 -6.9 -6.7 -8.5 63 91 A A H X S+ 0 0 48 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.939 110.3 49.8 -62.1 -42.1 -6.2 -8.5 -5.2 64 92 A A H X S+ 0 0 30 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.874 108.3 54.0 -65.8 -36.1 -6.2 -5.1 -3.6 65 93 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.928 107.5 49.0 -61.9 -48.1 -9.5 -4.3 -5.3 66 94 A L H X S+ 0 0 39 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.921 112.4 49.4 -59.3 -39.4 -11.1 -7.5 -3.9 67 95 A A H X S+ 0 0 62 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.914 110.7 49.0 -65.3 -44.3 -9.8 -6.5 -0.4 68 96 A E H X S+ 0 0 20 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.878 109.8 52.7 -66.1 -34.7 -11.2 -3.0 -0.7 69 97 A I H X>S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 5,-2.3 0.928 110.8 46.6 -65.0 -43.5 -14.5 -4.3 -1.8 70 98 A E H <5S+ 0 0 121 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.954 114.9 48.3 -64.1 -41.0 -14.7 -6.6 1.2 71 99 A K H <5S+ 0 0 155 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.930 124.2 27.4 -62.4 -48.4 -13.7 -3.7 3.5 72 100 A Q H <5S+ 0 0 108 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.734 140.4 14.2 -92.4 -29.0 -16.1 -1.1 2.2 73 101 A I T <5S- 0 0 34 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.738 73.8-157.7-116.1 -52.4 -19.0 -3.3 0.9 74 102 A G < + 0 0 36 -5,-2.3 -4,-0.2 1,-0.3 -3,-0.1 0.634 49.1 119.8 82.1 14.1 -18.6 -6.8 2.2 75 103 A L - 0 0 36 -6,-0.3 -1,-0.3 -26,-0.0 2,-0.2 -0.842 69.6 -98.1-106.8 152.4 -20.7 -8.7 -0.4 76 104 A P - 0 0 75 0, 0.0 -26,-2.4 0, 0.0 2,-0.7 -0.481 23.0-133.5 -75.9 135.0 -19.3 -11.4 -2.6 77 105 A V E +f 50 0A 20 -2,-0.2 -26,-0.2 -28,-0.2 3,-0.1 -0.772 33.2 167.9 -81.9 115.0 -18.1 -10.6 -6.2 78 106 A T E + 0 0 37 -28,-2.0 24,-2.5 -2,-0.7 2,-0.3 0.694 58.3 24.6-105.3 -23.3 -19.6 -13.5 -8.2 79 107 A R E -fg 51 102A 54 -29,-1.2 -27,-2.8 22,-0.2 2,-0.3 -0.989 58.3-167.7-142.1 152.4 -19.2 -12.3 -11.8 80 108 A A E -fg 52 103A 3 22,-2.3 24,-2.7 -2,-0.3 2,-0.4 -0.997 4.6-159.9-140.1 145.3 -16.9 -9.9 -13.7 81 109 A V E -fg 53 104A 0 -29,-2.4 -27,-2.9 -2,-0.3 2,-0.5 -0.984 9.2-149.0-124.2 132.5 -17.0 -8.5 -17.2 82 110 A S - 0 0 3 22,-2.2 24,-0.4 -2,-0.4 8,-0.1 -0.901 5.0-153.6-100.8 132.3 -14.1 -7.0 -19.0 83 111 A T S S+ 0 0 1 -2,-0.5 71,-2.2 1,-0.1 2,-0.3 0.644 73.2 0.5 -89.1 -17.4 -15.0 -4.2 -21.4 84 112 A H S S- 0 0 0 69,-0.2 -1,-0.1 2,-0.2 5,-0.1 -0.967 74.5-103.5-161.3 175.3 -12.1 -4.7 -23.8 85 113 A F S S+ 0 0 9 -2,-0.3 33,-0.1 4,-0.1 5,-0.1 0.459 73.4 117.3 -81.1 -9.4 -9.0 -6.9 -24.4 86 114 A H S >> S- 0 0 16 1,-0.1 3,-2.0 3,-0.1 4,-1.6 -0.299 76.5-111.2 -67.3 154.4 -6.2 -4.7 -23.2 87 115 A D H 3> S+ 0 0 67 1,-0.3 4,-1.8 2,-0.2 -29,-0.3 0.724 113.5 61.5 -59.5 -29.4 -4.1 -5.7 -20.3 88 116 A D H 34 S+ 0 0 14 1,-0.2 -31,-0.5 2,-0.2 -1,-0.3 0.775 113.0 36.0 -70.5 -22.2 -5.5 -2.9 -18.1 89 117 A R H <4 S+ 0 0 0 -3,-2.0 -34,-1.2 -33,-0.1 -2,-0.2 0.662 130.6 28.8-104.0 -24.3 -9.0 -4.3 -18.3 90 118 A V H >< S+ 0 0 0 -4,-1.6 3,-2.3 -36,-0.1 2,-0.5 0.528 90.1 108.5-107.9 -20.0 -8.3 -8.1 -18.4 91 119 A G T 3< S+ 0 0 0 -4,-1.8 -33,-1.9 -5,-0.4 -34,-0.7 -0.510 82.3 33.4 -59.7 116.6 -5.0 -8.1 -16.3 92 120 A G T 3> S+ 0 0 0 -2,-0.5 4,-2.1 -35,-0.2 3,-0.3 0.247 79.1 117.7 114.4 -7.0 -6.0 -9.6 -13.0 93 121 A V H <> S+ 0 0 1 -3,-2.3 4,-3.1 1,-0.2 5,-0.2 0.869 73.3 57.3 -54.9 -39.9 -8.6 -12.0 -14.4 94 122 A D H > S+ 0 0 82 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.886 106.7 49.7 -63.2 -36.8 -6.6 -15.1 -13.2 95 123 A V H > S+ 0 0 37 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.932 111.6 47.8 -64.1 -46.0 -6.8 -13.6 -9.6 96 124 A L H <>S+ 0 0 1 -4,-2.1 5,-2.6 2,-0.2 3,-0.3 0.955 113.1 48.6 -58.3 -48.4 -10.6 -13.2 -10.0 97 125 A R H ><5S+ 0 0 91 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.893 109.7 51.6 -57.7 -43.4 -10.9 -16.8 -11.3 98 126 A A H 3<5S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.825 106.5 55.2 -66.8 -29.2 -8.8 -18.2 -8.5 99 127 A A T 3<5S- 0 0 67 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.361 126.3-100.1 -87.9 6.3 -11.0 -16.3 -6.0 100 128 A G T < 5S+ 0 0 66 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.541 74.2 144.6 92.2 9.7 -14.1 -18.1 -7.4 101 129 A V < - 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