==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-MAY-08 3D82 . COMPND 2 MOLECULE: CUPIN 2, CONSERVED BARREL DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA NCIMB 400; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 508 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 233 45.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 . 43 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 3.9 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 0 0 5 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 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 PARALLEL BRIDGES PER LADDER . 5 4 4 1 20 0 0 0 0 5 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 0 1 3 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 0 A G > 0 0 99 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 163.8 -15.8 66.3 -13.5 2 1 A X G > + 0 0 182 1,-0.2 3,-2.1 2,-0.2 4,-0.2 0.803 360.0 69.4 -55.9 -37.8 -15.6 64.1 -10.3 3 2 A Q G > S+ 0 0 152 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.797 90.7 62.2 -53.5 -33.1 -19.4 63.4 -10.3 4 3 A T G < S+ 0 0 124 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.734 99.3 56.5 -63.8 -26.3 -18.9 61.2 -13.4 5 4 A K G < S+ 0 0 176 -3,-2.1 2,-0.4 -4,-0.4 -1,-0.3 0.354 80.2 110.9 -85.0 1.5 -16.6 59.0 -11.1 6 5 A V < - 0 0 90 -3,-1.8 2,-0.5 -4,-0.2 -3,-0.0 -0.697 62.6-147.8 -74.4 127.8 -19.6 58.5 -8.7 7 6 A I - 0 0 56 -2,-0.4 2,-0.6 4,-0.0 -2,-0.1 -0.875 14.4-163.5-109.5 123.3 -20.5 54.8 -9.0 8 7 A N > - 0 0 81 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 -0.940 9.4-155.0-103.0 117.4 -24.1 53.5 -8.6 9 8 A F H > S+ 0 0 89 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.931 93.1 50.9 -59.3 -49.4 -24.0 49.7 -8.1 10 9 A N H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 112.3 47.7 -55.7 -45.1 -27.5 49.1 -9.4 11 10 A D H > S+ 0 0 97 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.872 111.8 49.5 -64.6 -40.3 -26.7 51.1 -12.6 12 11 A K H < S+ 0 0 97 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.864 109.6 51.8 -67.1 -39.3 -23.4 49.2 -13.2 13 12 A F H >< S+ 0 0 4 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.824 102.7 59.7 -64.1 -36.5 -25.1 45.8 -12.7 14 13 A S H 3< S+ 0 0 95 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.779 94.1 66.6 -63.5 -27.4 -27.8 46.8 -15.3 15 14 A L T 3< S+ 0 0 86 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.2 0.505 101.9 51.7 -72.6 -8.3 -25.0 47.2 -18.0 16 15 A F < - 0 0 15 -3,-1.3 7,-0.0 -4,-0.1 -1,-0.0 -0.984 42.7-180.0-142.3 157.7 -24.1 43.5 -18.0 17 16 A N + 0 0 140 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.614 52.7 105.8-120.1 -33.6 -25.5 40.1 -18.4 18 17 A Q - 0 0 25 3,-0.1 19,-0.5 1,-0.1 3,-0.4 -0.270 57.3-137.9 -62.0 145.1 -22.6 37.6 -18.1 19 18 A H S S+ 0 0 42 1,-0.2 19,-0.2 127,-0.2 129,-0.2 -0.656 80.0 15.8 -98.5 156.2 -21.9 35.5 -15.0 20 19 A W S S+ 0 0 32 17,-2.1 -1,-0.2 -2,-0.2 18,-0.1 0.760 92.6 116.0 53.3 33.9 -18.5 34.9 -13.4 21 20 A S - 0 0 4 -3,-0.4 -1,-0.1 16,-0.3 16,-0.1 -0.788 59.0-146.8-133.8 82.6 -16.9 37.8 -15.4 22 21 A P - 0 0 64 0, 0.0 2,-0.5 0, 0.0 14,-0.2 -0.262 6.7-153.6 -57.4 136.4 -15.8 40.5 -12.8 23 22 A R E -A 35 0A 69 12,-2.2 12,-2.5 127,-0.0 2,-0.3 -0.981 15.1-130.8-116.0 116.8 -16.1 44.1 -14.0 24 23 A V E +A 34 0A 74 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.527 33.2 167.5 -68.9 119.8 -13.8 46.6 -12.4 25 24 A I E + 0 0 29 8,-2.8 2,-0.3 -2,-0.3 9,-0.2 0.495 61.8 7.5-107.4 -16.0 -15.9 49.6 -11.3 26 25 A A E -A 33 0A 29 7,-1.3 7,-2.5 2,-0.0 2,-0.4 -0.984 55.4-142.2-165.7 157.4 -13.2 51.4 -9.1 27 26 A E E -A 32 0A 106 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.997 7.8-173.5-130.2 131.1 -9.6 51.5 -7.9 28 27 A X E > -A 31 0A 89 3,-1.9 3,-2.5 -2,-0.4 -2,-0.0 -0.985 69.7 -55.3-122.7 111.0 -8.3 52.3 -4.4 29 28 A N T 3 S- 0 0 148 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.346 124.0 -18.3 53.2-121.4 -4.5 52.6 -4.4 30 29 A D T 3 S+ 0 0 94 -3,-0.1 72,-2.9 2,-0.0 2,-0.3 0.021 121.4 95.0-103.0 25.3 -3.4 49.2 -5.9 31 30 A Y E < -AB 28 101A 91 -3,-2.5 -3,-1.9 70,-0.3 2,-0.3 -0.842 60.1-145.7-116.2 153.0 -6.8 47.4 -5.2 32 31 A Q E -AB 27 100A 18 68,-3.0 68,-1.6 -2,-0.3 2,-0.5 -0.917 6.0-146.9-120.8 144.3 -9.8 46.9 -7.5 33 32 A F E -AB 26 99A 46 -7,-2.5 -8,-2.8 -2,-0.3 -7,-1.3 -0.969 27.2-173.2-107.5 123.0 -13.6 46.8 -6.7 34 33 A K E -AB 24 98A 35 64,-2.9 64,-2.8 -2,-0.5 2,-0.3 -0.983 16.3-147.8-128.9 123.6 -15.2 44.3 -9.1 35 34 A L E +AB 23 97A 0 -12,-2.5 -12,-2.2 -2,-0.4 2,-0.3 -0.735 22.7 179.3 -89.2 140.3 -18.9 43.6 -9.6 36 35 A V E - B 0 96A 4 60,-2.5 60,-2.9 -2,-0.3 2,-0.5 -0.995 25.9-147.8-141.0 144.8 -20.0 40.1 -10.5 37 36 A K E - B 0 95A 25 -19,-0.5 -17,-2.1 -2,-0.3 -16,-0.3 -0.958 30.9-174.9-106.0 127.9 -23.2 38.2 -11.2 38 37 A V E + B 0 94A 3 56,-2.9 56,-2.1 -2,-0.5 2,-0.3 -0.977 16.7 161.6-131.6 145.5 -22.9 34.6 -10.1 39 38 A E E + 0 0 80 -2,-0.3 52,-0.2 54,-0.2 2,-0.1 -0.925 54.2 11.4-160.3 138.8 -25.1 31.4 -10.3 40 39 A G E S- B 0 90A 36 50,-3.4 50,-2.0 -2,-0.3 2,-0.3 -0.452 102.9 -36.3 84.9-166.3 -24.3 27.7 -10.0 41 40 A E E - B 0 89A 116 48,-0.2 48,-0.2 -2,-0.1 2,-0.1 -0.722 46.9-158.8 -96.0 143.5 -21.0 26.4 -8.7 42 41 A F - 0 0 41 46,-2.4 2,-0.3 -2,-0.3 -1,-0.1 -0.021 35.6 -91.1 -90.9-159.1 -17.5 27.9 -9.3 43 42 A V - 0 0 14 79,-0.1 2,-0.3 -2,-0.1 43,-0.1 -0.815 39.9 -90.7-116.3 159.6 -14.3 25.7 -8.8 44 43 A W + 0 0 57 -2,-0.3 2,-0.3 43,-0.2 43,-0.2 -0.548 65.3 138.7 -68.3 129.3 -12.1 25.1 -5.8 45 44 A H B -G 86 0B 13 41,-2.2 41,-2.7 -2,-0.3 2,-0.3 -0.952 33.2-147.6-160.3 175.2 -9.2 27.7 -5.8 46 45 A E - 0 0 32 75,-0.3 2,-0.5 -2,-0.3 39,-0.1 -0.935 18.2-132.6-144.2 168.7 -7.1 30.0 -3.5 47 46 A H > - 0 0 49 -2,-0.3 36,-2.8 37,-0.3 3,-0.6 -0.949 22.7-168.8-124.2 99.6 -5.3 33.3 -3.5 48 47 A A T 3 S+ 0 0 27 -2,-0.5 -1,-0.1 34,-0.2 77,-0.0 0.809 80.3 35.4 -61.0 -33.1 -1.9 32.5 -2.0 49 48 A D T 3 S+ 0 0 146 33,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.345 113.9 43.7-110.5 5.3 -0.7 36.1 -1.5 50 49 A T < - 0 0 30 -3,-0.6 33,-0.3 31,-0.1 -3,-0.2 -0.999 68.3-119.6-153.1 148.2 -3.9 38.1 -0.6 51 50 A D - 0 0 80 -2,-0.3 2,-0.4 31,-0.2 -2,-0.0 -0.474 33.2-148.5 -71.5 152.5 -7.0 38.2 1.5 52 51 A E E -C 80 0A 7 28,-2.1 28,-3.1 -2,-0.1 2,-0.4 -0.998 3.0-149.3-130.4 126.4 -10.2 38.5 -0.7 53 52 A V E -CD 79 99A 28 46,-2.2 46,-1.7 -2,-0.4 2,-0.4 -0.816 7.8-164.8 -97.8 134.9 -13.4 40.3 0.5 54 53 A F E -CD 78 98A 6 24,-2.4 24,-1.9 -2,-0.4 2,-0.4 -0.979 5.4-176.4-115.4 131.6 -16.9 39.2 -0.7 55 54 A I E -CD 77 97A 40 42,-2.2 42,-2.2 -2,-0.4 2,-0.4 -0.996 18.2-143.1-127.1 121.2 -19.9 41.6 -0.3 56 55 A V E +CD 76 96A 1 20,-2.4 19,-2.4 -2,-0.4 20,-0.6 -0.749 20.0 177.3 -88.1 130.2 -23.3 40.2 -1.3 57 56 A X E S+ 0 0 48 38,-3.3 2,-0.3 -2,-0.4 39,-0.2 0.812 70.7 1.4 -96.5 -47.2 -25.5 42.9 -2.9 58 57 A E E S+ D 0 95A 106 37,-1.7 37,-2.0 16,-0.1 -1,-0.4 -0.991 110.0 9.7-145.3 146.0 -28.6 40.7 -3.8 59 58 A G S S- 0 0 27 -2,-0.3 15,-0.5 35,-0.2 2,-0.4 -0.367 89.0 -56.9 85.4-165.0 -29.4 37.0 -3.2 60 59 A T E -E 73 0A 61 33,-0.2 32,-0.4 13,-0.2 2,-0.4 -0.984 44.2-167.7-124.3 123.8 -27.7 34.3 -1.2 61 60 A L E -E 72 0A 0 11,-3.1 11,-3.4 -2,-0.4 2,-0.4 -0.886 1.3-165.5-109.9 140.3 -24.1 33.2 -1.7 62 61 A Q E -EF 71 89A 75 27,-3.1 27,-3.0 -2,-0.4 2,-0.4 -0.942 2.2-163.1-117.0 146.1 -22.5 30.2 -0.2 63 62 A I E -EF 70 88A 0 7,-2.1 7,-1.9 -2,-0.4 2,-0.4 -0.989 12.3-148.9-129.8 118.8 -18.7 29.6 -0.0 64 63 A A E -EF 69 87A 7 23,-2.4 23,-2.2 -2,-0.4 2,-0.3 -0.725 15.4-177.6 -90.2 137.3 -17.5 26.1 0.6 65 64 A F - 0 0 22 3,-2.6 21,-0.1 -2,-0.4 19,-0.0 -0.713 43.5 -96.0-119.2 175.1 -14.3 25.5 2.5 66 65 A R S S+ 0 0 145 19,-0.4 3,-0.1 -2,-0.3 20,-0.1 0.855 119.1 18.4 -65.6 -36.6 -12.7 22.1 3.2 67 66 A D S S+ 0 0 161 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.425 131.5 11.2-114.0 -1.3 -14.1 21.6 6.7 68 67 A Q - 0 0 133 2,-0.0 -3,-2.6 -5,-0.0 2,-0.3 -0.960 59.7-133.0-164.7 168.3 -17.0 24.1 6.7 69 68 A N E -E 64 0A 90 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.909 10.6-150.5-126.9 160.9 -19.2 26.5 4.7 70 69 A I E -E 63 0A 29 -7,-1.9 -7,-2.1 -2,-0.3 2,-0.4 -0.946 7.6-148.9-128.5 151.0 -20.4 30.0 5.2 71 70 A T E -E 62 0A 67 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.988 10.4-166.2-122.2 129.8 -23.7 31.6 4.0 72 71 A L E -E 61 0A 9 -11,-3.4 -11,-3.1 -2,-0.4 2,-0.2 -0.987 2.3-166.6-122.3 120.8 -23.9 35.3 3.0 73 72 A Q E > -E 60 0A 86 -2,-0.5 3,-0.9 -13,-0.2 -17,-0.4 -0.478 46.9 -65.2 -93.0 171.2 -27.2 37.1 2.5 74 73 A A T 3 S+ 0 0 53 -15,-0.5 -17,-0.2 1,-0.2 -1,-0.2 -0.321 126.2 27.5 -56.3 135.7 -27.6 40.5 0.8 75 74 A G T 3 S+ 0 0 74 -19,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.800 101.1 109.4 75.7 30.1 -25.9 43.2 3.0 76 75 A E E < -C 56 0A 87 -3,-0.9 -20,-2.4 -20,-0.6 -1,-0.3 -0.972 44.9-168.0-134.2 149.5 -23.3 40.8 4.5 77 76 A X E -C 55 0A 110 -2,-0.3 2,-0.3 -22,-0.2 -22,-0.2 -0.890 6.5-171.5-132.8 166.5 -19.6 40.4 3.9 78 77 A Y E -C 54 0A 86 -24,-1.9 -24,-2.4 -2,-0.3 2,-0.6 -0.970 18.8-137.4-157.7 143.3 -16.7 38.1 4.7 79 78 A V E -C 53 0A 60 -2,-0.3 -26,-0.2 -26,-0.2 -2,-0.0 -0.938 15.1-152.2-107.0 114.5 -12.9 38.2 4.3 80 79 A I E -C 52 0A 3 -28,-3.1 -28,-2.1 -2,-0.6 3,-0.1 -0.798 25.7-127.0 -82.1 115.3 -11.3 35.0 3.0 81 80 A P > - 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