==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 14-OCT-11 3U7Z . COMPND 2 MOLECULE: PUTATIVE METAL BINDING PROTEIN RUMGNA_00854; . SOURCE 2 ORGANISM_SCIENTIFIC: RUMINOCOCCUS GNAVUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 193 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 33.2 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 . 21 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 2 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 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 PARALLEL BRIDGES PER LADDER . 3 4 0 2 0 0 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 0 2 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 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 35 A G 0 0 92 0, 0.0 2,-0.4 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 158.7 17.2 48.8 -1.6 2 36 A E - 0 0 119 22,-0.1 2,-0.3 20,-0.1 22,-0.2 -0.630 360.0-167.7 -83.6 128.9 17.7 46.0 -4.0 3 37 A K E -A 23 0A 44 20,-3.4 20,-3.0 -2,-0.4 2,-0.6 -0.880 13.8-140.5-113.5 145.6 21.4 44.9 -4.6 4 38 A H E +A 22 0A 86 -2,-0.3 82,-2.3 18,-0.2 2,-0.3 -0.946 34.8 159.7-113.0 116.5 22.5 42.6 -7.5 5 39 A I E -A 21 0A 4 16,-2.7 16,-2.8 -2,-0.6 2,-0.4 -0.846 30.1-139.1-132.1 164.8 25.1 40.1 -6.5 6 40 A T E -Ab 20 88A 38 81,-2.2 83,-2.7 -2,-0.3 2,-0.4 -0.958 7.0-165.5-125.0 144.8 26.6 36.8 -7.6 7 41 A V E -Ab 19 89A 0 12,-2.7 12,-2.8 -2,-0.4 2,-0.5 -0.988 9.2-163.5-125.1 121.3 27.6 33.8 -5.5 8 42 A T E -Ab 18 90A 20 81,-2.5 83,-2.6 -2,-0.4 2,-0.6 -0.917 6.3-152.1-108.3 126.7 29.8 31.2 -7.2 9 43 A V E -Ab 17 91A 0 8,-2.8 8,-2.4 -2,-0.5 2,-0.7 -0.918 3.8-161.4 -97.2 121.2 30.1 27.8 -5.5 10 44 A I E -Ab 16 92A 31 81,-3.0 83,-2.2 -2,-0.6 6,-0.2 -0.906 19.9-154.4-107.3 103.8 33.4 26.0 -6.3 11 45 A H > - 0 0 22 4,-2.8 3,-2.0 -2,-0.7 42,-0.0 -0.180 29.6 -96.9 -74.8 171.2 32.8 22.4 -5.5 12 46 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.773 125.9 47.2 -59.0 -32.8 35.2 19.6 -4.5 13 47 A D T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.132 123.1-103.2 -96.2 17.2 35.4 18.3 -8.1 14 48 A Q S < S+ 0 0 166 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.362 71.8 147.7 71.8 -1.8 36.0 22.0 -9.5 15 49 A T - 0 0 61 -5,-0.1 -4,-2.8 1,-0.0 2,-0.5 -0.468 35.9-152.8 -54.9 130.4 32.4 22.3 -10.8 16 50 A E E -A 10 0A 123 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.956 10.9-170.0-112.3 121.9 31.5 26.0 -10.5 17 51 A N E -A 9 0A 57 -8,-2.4 -8,-2.8 -2,-0.5 2,-0.5 -0.973 10.3-153.0-111.5 127.5 27.8 26.8 -10.0 18 52 A V E -A 8 0A 94 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.844 10.1-171.1-106.7 131.4 26.9 30.5 -10.3 19 53 A F E -A 7 0A 56 -12,-2.8 -12,-2.7 -2,-0.5 2,-0.4 -0.969 7.8-153.9-122.7 131.8 23.9 31.9 -8.5 20 54 A E E -A 6 0A 157 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.875 11.4-168.5-106.4 137.7 22.6 35.4 -9.1 21 55 A F E -A 5 0A 18 -16,-2.8 -16,-2.7 -2,-0.4 2,-0.6 -0.985 19.6-164.0-126.6 138.1 20.6 37.2 -6.4 22 56 A D E +A 4 0A 105 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.965 42.0 160.8-112.0 109.9 18.6 40.4 -6.5 23 57 A T E -A 3 0A 17 -20,-3.0 -20,-3.4 -2,-0.6 -2,-0.1 -0.945 54.4-156.9-142.6 147.5 18.3 41.1 -2.8 24 58 A D + 0 0 116 -2,-0.3 -22,-0.1 -22,-0.2 -1,-0.1 0.220 59.4 133.4-103.6 10.6 17.5 43.7 -0.1 25 59 A A - 0 0 0 -22,-0.1 58,-0.2 1,-0.1 -2,-0.1 -0.237 50.7-154.1 -61.2 144.6 19.5 41.7 2.4 26 60 A K S S+ 0 0 119 1,-0.1 57,-2.1 56,-0.1 2,-0.3 0.819 77.1 42.8 -84.9 -35.5 22.0 43.3 4.6 27 61 A Y B >> S-E 82 0B 93 55,-0.3 4,-1.4 1,-0.1 3,-0.6 -0.861 75.2-125.7-127.1 152.7 24.1 40.2 5.1 28 62 A L H 3> S+ 0 0 0 53,-2.7 4,-2.5 50,-0.4 5,-0.2 0.867 107.1 58.8 -64.2 -36.6 25.4 37.4 3.0 29 63 A G H 3> S+ 0 0 7 49,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.881 103.6 52.7 -61.0 -36.4 24.0 34.6 5.2 30 64 A E H <> S+ 0 0 100 -3,-0.6 4,-1.4 48,-0.3 -1,-0.2 0.903 110.7 48.4 -63.7 -40.9 20.5 36.0 4.7 31 65 A V H X S+ 0 0 1 -4,-1.4 4,-0.5 2,-0.2 3,-0.4 0.945 112.2 47.4 -63.7 -47.3 21.1 35.9 0.9 32 66 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.9 0.915 114.4 46.7 -63.1 -40.8 22.4 32.3 1.0 33 67 A E H ><5S+ 0 0 6 -4,-2.6 3,-1.6 1,-0.2 108,-0.5 0.721 90.7 82.3 -79.9 -11.1 19.6 31.0 3.2 34 68 A S H 3<5S+ 0 0 48 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.798 110.3 23.9 -60.3 -31.9 16.9 32.8 1.1 35 69 A E T <<5S- 0 0 145 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.090 113.8-110.9-114.9 15.1 17.1 29.8 -1.3 36 70 A N T < 5 + 0 0 104 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.891 65.8 151.0 49.8 46.9 18.4 27.3 1.2 37 71 A L < + 0 0 13 -5,-2.7 16,-3.0 -6,-0.2 2,-0.3 0.673 62.2 29.5 -80.2 -18.0 21.8 27.3 -0.7 38 72 A V E -F 52 0C 2 -6,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.910 63.2-147.5-134.5 159.4 23.7 26.5 2.5 39 73 A D E +F 51 0C 51 12,-2.4 11,-2.1 -2,-0.3 12,-1.8 -0.996 30.9 162.2-123.0 136.6 23.3 24.7 5.8 40 74 A G E -F 49 0C 5 -2,-0.4 99,-1.9 9,-0.3 2,-0.4 -0.966 31.9-127.8-146.6 167.5 25.2 26.0 8.8 41 75 A E E -FG 48 138C 74 7,-2.4 7,-2.8 -2,-0.3 97,-0.2 -0.923 27.6-119.6-117.1 143.1 25.3 25.9 12.5 42 76 A S + 0 0 19 95,-1.9 2,-0.3 -2,-0.4 95,-0.2 -0.260 42.6 151.0 -70.6 161.3 25.4 28.9 14.8 43 77 A G > - 0 0 23 93,-0.1 3,-2.0 1,-0.0 87,-0.2 -0.978 58.1 -74.1-177.7-177.2 28.3 29.4 17.2 44 78 A E T 3 S+ 0 0 114 86,-0.5 3,-0.1 1,-0.3 87,-0.1 0.704 127.2 41.0 -69.6 -23.1 30.2 32.1 19.0 45 79 A Y T 3 S- 0 0 184 1,-0.5 32,-0.3 85,-0.1 -1,-0.3 0.195 123.0 -96.2-102.3 13.3 32.1 33.4 15.9 46 80 A G S < S- 0 0 11 -3,-2.0 -1,-0.5 30,-0.1 -5,-0.1 -0.494 74.5 -3.4 99.2-174.0 29.1 33.2 13.7 47 81 A L - 0 0 20 -2,-0.2 2,-0.7 -5,-0.1 31,-0.5 -0.254 50.7-154.7 -61.4 131.7 27.7 30.7 11.2 48 82 A F E -F 41 0C 111 -7,-2.8 -7,-2.4 29,-0.1 2,-0.5 -0.944 17.1-148.3-104.7 108.4 29.8 27.6 10.5 49 83 A I E +F 40 0C 14 -2,-0.7 16,-0.7 -9,-0.3 -9,-0.3 -0.728 27.8 165.6 -84.2 121.3 28.8 26.5 7.0 50 84 A T E + 0 0 45 -11,-2.1 7,-2.6 -2,-0.5 2,-0.4 0.682 64.4 36.7-104.0 -33.4 28.9 22.7 6.5 51 85 A T E +FH 39 56C 24 -12,-1.8 -12,-2.4 5,-0.2 2,-0.4 -0.995 57.5 178.9-132.1 132.5 27.0 22.3 3.3 52 86 A V E > S-FH 38 55C 0 3,-2.3 3,-1.6 -2,-0.4 -14,-0.2 -0.995 74.3 -14.7-133.4 126.0 26.8 24.4 0.2 53 87 A D T 3 S- 0 0 37 -16,-3.0 -15,-0.1 -2,-0.4 -1,-0.1 0.891 130.4 -49.0 52.1 48.9 24.7 23.6 -2.9 54 88 A E T 3 S+ 0 0 185 -17,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.600 113.8 114.8 64.4 22.8 24.2 20.0 -1.8 55 89 A E E < -H 52 0C 50 -3,-1.6 -3,-2.3 -43,-0.0 2,-0.5 -0.977 50.1-157.2-124.1 122.5 27.9 19.3 -1.0 56 90 A T E -H 51 0C 90 -2,-0.5 -5,-0.2 -5,-0.2 2,-0.2 -0.830 19.4-121.7-101.2 129.8 28.9 18.6 2.6 57 91 A A - 0 0 18 -7,-2.6 2,-1.0 -2,-0.5 3,-0.1 -0.489 22.0-127.5 -65.8 138.3 32.4 19.2 3.7 58 92 A D > > - 0 0 60 -2,-0.2 5,-2.1 1,-0.2 3,-1.5 -0.771 19.6-167.8 -92.9 102.0 34.1 16.1 5.2 59 93 A D G > 5S+ 0 0 123 -2,-1.0 3,-1.8 1,-0.3 -1,-0.2 0.829 85.0 62.6 -55.1 -39.7 35.4 17.2 8.6 60 94 A S G 3 5S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.669 104.8 47.4 -66.9 -18.0 37.5 14.1 8.9 61 95 A K G < 5S- 0 0 134 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.122 119.7-108.1-105.7 19.8 39.5 15.1 5.8 62 96 A Q T < 5 + 0 0 122 -3,-1.8 34,-2.8 1,-0.2 2,-0.3 0.795 66.3 157.3 60.8 33.1 40.0 18.7 7.1 63 97 A Q E < +C 95 0A 34 -5,-2.1 2,-0.3 32,-0.2 32,-0.2 -0.642 10.8 165.3 -91.3 148.2 37.6 20.0 4.5 64 98 A W E -C 94 0A 85 30,-2.2 30,-3.3 -2,-0.3 2,-0.4 -0.990 37.2-110.2-159.2 150.0 35.8 23.3 5.0 65 99 A W E -C 93 0A 20 -16,-0.7 2,-0.4 -2,-0.3 28,-0.2 -0.722 32.9-160.2 -86.2 131.4 33.9 26.0 3.1 66 100 A C E -C 92 0A 12 26,-2.4 26,-2.4 -2,-0.4 2,-0.5 -0.944 7.5-144.3-117.9 133.6 35.6 29.2 2.6 67 101 A I E +C 91 0A 24 -2,-0.4 7,-1.0 24,-0.2 2,-0.3 -0.832 24.5 169.2 -96.9 129.5 34.0 32.6 1.7 68 102 A T E -CD 90 73A 16 22,-2.5 22,-2.6 -2,-0.5 2,-0.5 -0.878 27.0-143.7-130.8 162.6 35.8 35.0 -0.6 69 103 A K E > S-CD 89 72A 93 3,-2.1 3,-2.0 -2,-0.3 20,-0.2 -0.959 89.9 -20.5-129.5 108.0 34.7 38.2 -2.3 70 104 A G T 3 S- 0 0 56 18,-1.5 19,-0.1 -2,-0.5 3,-0.1 0.847 128.4 -55.1 54.4 36.5 36.3 38.5 -5.8 71 105 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 17,-0.1 2,-0.2 0.313 112.3 124.9 82.3 -5.6 38.8 36.1 -4.6 72 106 A E E < S-D 69 0A 142 -3,-2.0 -3,-2.1 1,-0.1 -1,-0.3 -0.592 70.0 -93.9 -89.0 149.5 39.8 38.2 -1.6 73 107 A Q E -D 68 0A 157 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.260 31.6-149.7 -60.6 138.9 39.7 36.9 1.9 74 108 A V - 0 0 28 -7,-1.0 -7,-0.2 1,-0.1 4,-0.1 -0.983 7.1-167.7-113.5 126.7 36.6 37.6 4.0 75 109 A N + 0 0 144 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.601 62.4 75.0 -90.0 -16.2 37.1 38.0 7.7 76 110 A T S S- 0 0 54 1,-0.1 -9,-0.1 6,-0.1 5,-0.1 -0.624 85.0-107.6-100.9 150.5 33.6 37.7 8.8 77 111 A S > - 0 0 19 -32,-0.3 3,-2.0 -2,-0.2 4,-0.2 -0.338 45.3-100.8 -62.9 160.7 31.2 34.8 9.2 78 112 A A G > S+ 0 0 0 -31,-0.5 -49,-2.2 1,-0.3 3,-1.4 0.880 122.9 56.9 -56.8 -39.1 28.5 34.7 6.5 79 113 A D G 3 S+ 0 0 57 1,-0.2 -1,-0.3 -51,-0.2 -33,-0.1 0.581 113.1 41.2 -71.8 -7.5 25.9 36.1 8.8 80 114 A Q G < S+ 0 0 79 -3,-2.0 -1,-0.2 -33,-0.1 -2,-0.2 0.107 88.5 107.4-118.9 12.6 28.1 39.2 9.6 81 115 A T < - 0 0 6 -3,-1.4 -53,-2.7 -4,-0.2 -52,-0.2 -0.856 66.8-135.8 -99.2 110.2 29.3 39.8 5.9 82 116 A P B -E 27 0B 61 0, 0.0 2,-0.4 0, 0.0 -55,-0.3 -0.422 12.4-136.2 -69.7 145.5 27.7 42.8 4.5 83 117 A V - 0 0 9 -57,-2.1 2,-0.3 -58,-0.2 -78,-0.0 -0.846 19.5-170.0-101.0 135.7 26.4 42.7 0.9 84 118 A S > - 0 0 58 -2,-0.4 3,-2.2 -80,-0.0 -81,-0.0 -0.933 36.3 -90.8-121.1 150.0 26.9 45.5 -1.6 85 119 A D T 3 S+ 0 0 104 -2,-0.3 -80,-0.2 1,-0.3 -82,-0.1 -0.326 114.1 20.3 -55.1 133.6 25.4 46.1 -5.0 86 120 A G T 3 S+ 0 0 60 -82,-2.3 -1,-0.3 1,-0.3 -81,-0.2 0.366 88.7 150.4 87.9 -3.9 27.6 44.4 -7.6 87 121 A D < - 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