==== 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 BIOSYNTHETIC PROTEIN 15-DEC-08 3FJS . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN WITH RMLC-LIKE CUPIN FOLD . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA EUTROPHA JMP134; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 419 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 73.5 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 . 198 47.3 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 . 8 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 . 50 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 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 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 . 0 0 8 6 10 4 0 4 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 4 0 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 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 4 A P 0 0 175 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.3 69.2 32.9 -0.1 2 5 A H - 0 0 101 1,-0.1 25,-0.2 26,-0.0 2,-0.2 -0.159 360.0 -94.4 -59.1 154.9 68.4 36.0 1.9 3 6 A L - 0 0 22 23,-2.8 2,-0.2 4,-0.1 25,-0.2 -0.502 34.6-159.4 -72.5 139.5 65.7 38.4 0.8 4 7 A S > - 0 0 75 -2,-0.2 3,-2.1 1,-0.1 183,-0.3 -0.655 50.2 -56.3-102.9 172.7 66.7 41.4 -1.3 5 8 A S T 3 S+ 0 0 62 1,-0.3 183,-0.2 -2,-0.2 -1,-0.1 -0.217 127.9 19.1 -55.4 130.6 64.4 44.5 -1.6 6 9 A G T 3 S+ 0 0 2 181,-3.7 -1,-0.3 1,-0.3 2,-0.2 0.381 98.3 123.9 88.3 -0.9 60.9 43.6 -2.9 7 10 A E < - 0 0 77 -3,-2.1 180,-2.4 180,-0.4 2,-0.3 -0.645 48.5-140.1 -98.5 157.7 61.2 39.8 -2.0 8 11 A V E -A 186 0A 50 -2,-0.2 2,-0.3 178,-0.2 178,-0.2 -0.865 14.1-173.7-122.9 140.4 59.0 37.7 0.1 9 12 A A E -A 185 0A 20 176,-2.2 176,-3.1 -2,-0.3 2,-0.5 -0.963 28.4-122.1-125.7 143.8 59.4 34.9 2.7 10 13 A S E -A 184 0A 50 -2,-0.3 174,-0.2 174,-0.2 173,-0.1 -0.800 23.0-178.8 -86.1 128.3 56.6 32.9 4.3 11 14 A V + 0 0 4 172,-3.5 173,-0.1 -2,-0.5 172,-0.1 -0.031 34.6 139.6-111.3 27.9 56.5 33.1 8.2 12 15 A L - 0 0 73 171,-0.2 48,-0.1 170,-0.2 47,-0.1 -0.293 69.5 -76.3 -61.8 156.6 53.6 30.8 8.4 13 16 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.285 34.7-144.7 -54.7 135.2 53.7 28.3 11.3 14 17 A L > + 0 0 25 1,-0.2 3,-1.8 -3,-0.1 2,-0.1 0.745 33.3 174.2 -71.8 -29.4 56.1 25.4 10.5 15 18 A G G > + 0 0 31 1,-0.3 3,-2.0 2,-0.2 4,-0.3 -0.311 68.8 4.3 58.0-127.2 53.8 22.9 12.3 16 19 A K G 3 S+ 0 0 84 1,-0.3 3,-0.3 377,-0.2 -1,-0.3 0.729 132.2 58.3 -63.2 -20.8 55.1 19.3 11.9 17 20 A Q G X S+ 0 0 100 -3,-1.8 3,-1.2 1,-0.2 4,-0.4 0.472 80.2 97.2 -84.0 -2.6 58.2 20.5 10.0 18 21 A L G X S+ 0 0 6 -3,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.918 80.8 46.9 -55.7 -54.1 59.2 22.7 13.0 19 22 A T G 3 S+ 0 0 100 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.539 112.6 52.2 -69.0 -7.6 61.8 20.3 14.6 20 23 A Q G < S+ 0 0 155 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.2 0.404 95.9 85.3-101.3 -2.5 63.4 19.7 11.2 21 24 A T < - 0 0 34 -3,-1.9 2,-0.1 -4,-0.4 3,-0.1 -0.891 68.0-146.7-110.0 118.3 63.8 23.5 10.5 22 25 A P - 0 0 100 0, 0.0 2,-0.1 0, 0.0 17,-0.1 -0.411 32.1 -93.0 -75.8 160.0 66.8 25.4 11.7 23 26 A S + 0 0 50 15,-0.3 2,-0.3 -2,-0.1 14,-0.2 -0.418 55.4 177.9 -61.2 142.9 66.8 29.0 12.7 24 27 A A E -F 36 0B 51 12,-2.2 12,-3.2 -2,-0.1 2,-0.4 -0.994 33.3-110.9-153.1 152.9 67.7 31.3 9.8 25 28 A A E -F 35 0B 27 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.705 14.3-163.5 -82.9 133.3 68.0 34.9 8.8 26 29 A L E S- 0 0 21 8,-2.6 -23,-2.8 1,-0.4 2,-0.3 0.853 77.9 -19.9 -79.0 -43.9 65.4 36.1 6.4 27 30 A F E -F 34 0B 2 7,-1.9 7,-2.6 -25,-0.2 2,-0.4 -0.971 52.1-158.9-161.0 158.6 67.7 39.1 5.6 28 31 A K E +F 33 0B 97 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.989 26.0 159.8-138.7 117.9 70.6 41.0 7.1 29 32 A E E > -F 32 0B 34 3,-2.7 3,-0.6 -2,-0.4 75,-0.1 -0.831 55.0 -83.9-132.9 174.9 71.2 44.6 5.9 30 33 A H T 3 S+ 0 0 160 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.832 124.3 20.6 -49.6 -44.3 73.1 47.6 7.2 31 34 A R T 3 S+ 0 0 89 1,-0.2 73,-1.9 72,-0.1 2,-0.3 0.428 125.4 38.3-108.5 3.1 70.2 48.9 9.4 32 35 A L E < -FG 29 103B 1 -3,-0.6 -3,-2.7 71,-0.3 2,-0.4 -0.990 48.8-169.0-160.3 138.7 68.0 45.8 10.0 33 36 A E E -FG 28 102B 50 69,-2.1 69,-3.1 -2,-0.3 2,-0.4 -0.997 8.0-171.2-130.3 132.5 68.2 42.1 10.6 34 37 A V E +FG 27 101B 0 -7,-2.6 -8,-2.6 -2,-0.4 -7,-1.9 -0.999 15.4 169.1-124.2 125.2 65.1 39.8 10.4 35 38 A X E -FG 25 100B 34 65,-2.5 65,-3.1 -2,-0.4 2,-0.6 -0.953 33.3-134.5-135.5 154.2 65.4 36.2 11.5 36 39 A R E -FG 24 99B 44 -12,-3.2 -12,-2.2 -2,-0.3 2,-0.5 -0.967 23.4-159.2-106.5 116.5 63.2 33.2 12.2 37 40 A X E - G 0 98B 66 61,-2.5 61,-2.4 -2,-0.6 2,-0.6 -0.863 1.7-160.2 -97.4 127.0 64.3 31.5 15.5 38 41 A V E - G 0 97B 16 -2,-0.5 -15,-0.3 59,-0.2 59,-0.2 -0.951 10.9-174.7-110.6 118.4 63.1 27.9 15.8 39 42 A L E - G 0 96B 9 57,-2.8 57,-2.3 -2,-0.6 3,-0.1 -0.966 17.9-140.0-118.4 118.4 63.2 26.7 19.4 40 43 A P > - 0 0 64 0, 0.0 3,-2.2 0, 0.0 52,-0.2 -0.397 52.4 -70.7 -68.4 154.5 62.4 23.1 20.3 41 44 A A T 3 S+ 0 0 57 1,-0.2 52,-0.2 50,-0.1 54,-0.2 -0.169 122.7 17.2 -46.8 129.8 60.3 22.8 23.5 42 45 A G T 3 S+ 0 0 52 50,-2.4 -1,-0.2 1,-0.3 51,-0.1 0.194 85.9 144.9 89.6 -11.3 62.4 23.7 26.6 43 46 A K < - 0 0 116 -3,-2.2 49,-2.8 48,-0.1 2,-0.4 -0.343 32.0-157.6 -64.5 135.6 65.2 25.5 24.7 44 47 A Q E -K 91 0C 126 47,-0.2 2,-0.5 -2,-0.1 47,-0.2 -0.923 18.8-165.7-120.0 141.1 66.6 28.5 26.6 45 48 A V E -K 90 0C 53 45,-2.6 45,-2.3 -2,-0.4 3,-0.1 -0.996 32.0-126.7-117.5 125.2 68.5 31.7 25.6 46 49 A G E - 0 0 53 -2,-0.5 42,-0.1 43,-0.2 2,-0.0 -0.125 41.0 -65.1 -67.3 169.5 70.1 33.4 28.6 47 50 A S E S+ 0 0 90 42,-0.1 2,-0.3 40,-0.1 42,-0.2 -0.301 74.7 137.7 -59.5 124.1 69.8 37.1 29.6 48 51 A H E -K 88 0C 72 40,-1.9 40,-2.2 -3,-0.1 2,-0.3 -0.958 33.3-147.7-159.9 172.1 71.3 39.4 26.9 49 52 A S - 0 0 58 -2,-0.3 2,-0.3 38,-0.2 38,-0.1 -0.960 5.8-143.5-146.2 159.3 70.6 42.6 25.1 50 53 A V - 0 0 56 -2,-0.3 35,-2.6 36,-0.3 36,-0.2 -0.879 27.0-119.5-121.6 159.0 71.2 44.3 21.7 51 54 A A S S+ 0 0 72 -2,-0.3 53,-0.1 33,-0.2 33,-0.1 0.717 92.3 55.3 -71.9 -26.6 72.1 47.9 21.1 52 55 A G S S- 0 0 2 51,-0.3 33,-0.5 32,-0.2 -2,-0.3 -0.602 95.2 -91.5-104.8 167.4 69.0 48.7 18.9 53 56 A P - 0 0 0 0, 0.0 50,-2.8 0, 0.0 2,-0.3 -0.334 48.7-175.2 -71.8 163.6 65.3 48.2 19.6 54 57 A S E -HI 82 102B 4 28,-2.7 28,-2.9 48,-0.2 2,-0.4 -0.960 21.1-139.4-153.4 164.3 63.7 45.0 18.5 55 58 A T E -HI 81 101B 4 46,-2.2 46,-2.3 -2,-0.3 2,-0.5 -0.990 6.7-161.9-131.5 145.2 60.5 43.0 18.2 56 59 A I E -HI 80 100B 5 24,-2.4 24,-3.3 -2,-0.4 2,-0.5 -0.990 9.4-170.5-126.5 118.0 59.8 39.4 18.9 57 60 A Q E -HI 79 99B 11 42,-2.6 42,-2.6 -2,-0.5 2,-0.8 -0.945 20.1-136.5-111.3 129.1 56.6 37.9 17.3 58 61 A C E - I 0 98B 0 20,-2.7 19,-2.8 -2,-0.5 20,-0.3 -0.752 21.3-178.0 -86.0 111.6 55.5 34.4 18.4 59 62 A L E - 0 0 9 38,-2.4 2,-0.3 -2,-0.8 39,-0.2 0.777 66.6 -14.8 -84.0 -27.8 54.5 32.6 15.1 60 63 A E E S+ I 0 97B 18 37,-1.0 37,-1.0 -48,-0.1 -1,-0.3 -0.967 108.8 20.2-168.3 159.2 53.3 29.4 16.8 61 64 A G S S- 0 0 32 -2,-0.3 15,-0.4 35,-0.2 2,-0.4 -0.326 87.9 -63.9 75.1-156.5 53.5 27.6 20.1 62 65 A E + 0 0 24 33,-0.3 31,-2.2 13,-0.1 32,-1.9 -1.000 44.2 176.6-140.7 137.1 54.4 29.2 23.4 63 66 A V E -LM 74 92C 0 11,-1.7 11,-3.0 -2,-0.4 2,-0.5 -0.978 21.6-141.3-139.7 142.4 57.5 31.0 24.7 64 67 A E E -LM 73 91C 43 27,-3.0 27,-2.4 -2,-0.3 2,-0.5 -0.962 17.0-167.3-106.8 125.9 58.2 32.8 27.9 65 68 A I E -LM 72 90C 0 7,-3.0 7,-3.0 -2,-0.5 2,-0.3 -0.972 11.0-147.1-115.8 115.6 60.3 36.0 27.5 66 69 A G E +LM 71 89C 5 23,-1.7 23,-1.5 -2,-0.5 2,-0.3 -0.681 25.0 171.8 -82.3 134.1 61.8 37.4 30.7 67 70 A V E > -LM 70 88C 18 3,-3.3 3,-2.4 -2,-0.3 2,-0.2 -0.896 48.5 -65.6-135.3 166.4 62.1 41.2 30.7 68 71 A D T 3 S+ 0 0 132 19,-0.6 3,-0.0 -2,-0.3 18,-0.0 -0.395 125.0 0.9 -57.4 113.8 63.0 43.8 33.3 69 72 A G T 3 S+ 0 0 88 -2,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.418 127.9 51.6 86.6 1.2 60.1 43.6 35.8 70 73 A A E < -L 67 0C 27 -3,-2.4 -3,-3.3 2,-0.0 2,-0.5 -0.995 61.1-136.9-163.9 161.2 58.1 40.8 34.1 71 74 A Q E -L 66 0C 104 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.970 32.1-155.4-120.2 105.0 58.0 37.3 32.6 72 75 A R E -L 65 0C 85 -7,-3.0 -7,-3.0 -2,-0.5 2,-0.8 -0.781 5.0-154.7 -91.1 124.7 55.9 37.6 29.4 73 76 A R E -L 64 0C 113 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.871 18.3-161.1 -97.4 109.1 54.1 34.4 28.2 74 77 A L E -L 63 0C 0 -11,-3.0 -11,-1.7 -2,-0.8 2,-0.2 -0.783 9.0-171.8 -95.6 139.2 53.6 34.9 24.5 75 78 A H > - 0 0 34 -2,-0.4 3,-2.3 -13,-0.2 -17,-0.3 -0.637 49.7 -54.1-113.6 175.2 51.1 32.8 22.5 76 79 A Q T 3 S+ 0 0 58 -15,-0.4 -17,-0.2 1,-0.3 -1,-0.2 -0.227 128.5 21.5 -53.9 135.1 50.7 32.7 18.7 77 80 A G T 3 S+ 0 0 6 -19,-2.8 40,-3.2 1,-0.3 2,-0.3 0.263 88.9 134.8 88.3 -8.2 50.2 36.3 17.3 78 81 A D E < - J 0 116B 7 -3,-2.3 -20,-2.7 -20,-0.3 2,-0.5 -0.571 38.0-161.5 -79.4 135.4 51.8 38.0 20.3 79 82 A L E -HJ 57 115B 1 36,-3.4 36,-2.4 -2,-0.3 2,-0.4 -0.980 1.9-161.1-121.5 118.9 54.3 40.8 19.4 80 83 A L E -HJ 56 114B 0 -24,-3.3 -24,-2.4 -2,-0.5 2,-0.5 -0.870 6.4-149.1-102.7 131.4 56.8 41.9 22.1 81 84 A Y E -H 55 0B 20 32,-2.2 31,-3.1 -2,-0.4 2,-0.5 -0.867 11.7-168.2 -99.1 128.1 58.5 45.3 21.8 82 85 A L E -H 54 0B 0 -28,-2.9 -28,-2.7 -2,-0.5 3,-0.1 -0.981 15.6-135.7-119.2 123.1 62.0 45.5 23.3 83 86 A G > - 0 0 11 -2,-0.5 3,-2.4 -30,-0.2 -31,-0.1 -0.228 45.3 -70.9 -68.8 163.2 63.7 48.9 23.8 84 87 A A T 3 S+ 0 0 61 1,-0.3 -33,-0.2 -31,-0.1 -1,-0.2 -0.334 123.7 6.7 -56.2 129.0 67.3 49.5 22.8 85 88 A G T 3 S+ 0 0 43 -35,-2.6 2,-0.5 -33,-0.5 -1,-0.3 0.595 88.2 156.8 71.1 11.5 69.5 47.7 25.3 86 89 A A < - 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