==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-FEB-13 4J9T . COMPND 2 MOLECULE: DESIGNED UNNATURAL AMINO ACID DEPENDENT METALLOPR . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA VIRIDIFACIENS; . AUTHOR F.FOROUHAR,S.LEW,J.SEETHARAMAN,J.H.MILLS,S.D.KHARE,J.K.EVERE . 355 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 36.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 2.0 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 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 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 4 4 2 5 1 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 1 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 48 A E 0 0 195 0, 0.0 352,-0.2 0, 0.0 351,-0.2 0.000 360.0 360.0 360.0 -40.3 -19.9 9.9 -9.6 2 49 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 349,-0.1 -0.204 360.0-164.9 -54.6 138.7 -16.1 10.4 -10.1 3 50 A L + 0 0 50 347,-0.1 347,-1.4 2,-0.0 2,-0.2 -0.995 21.5 155.8-127.0 125.9 -14.3 11.5 -7.0 4 51 A Y E +A 349 0A 62 -2,-0.4 2,-0.3 345,-0.2 345,-0.2 -0.769 12.5 161.0-147.9 107.2 -10.8 12.9 -6.9 5 52 A T E -A 348 0A 66 343,-2.5 343,-2.3 -2,-0.2 2,-0.3 -0.849 11.3-174.9-116.2 159.2 -9.8 15.2 -4.0 6 53 A E E +A 347 0A 58 -2,-0.3 2,-0.3 341,-0.3 341,-0.2 -0.991 8.9 169.3-151.5 149.1 -6.4 16.2 -2.7 7 54 A Q E -A 346 0A 67 339,-2.2 339,-3.3 -2,-0.3 2,-0.2 -0.968 36.1-109.5-156.1 145.1 -4.8 18.1 0.2 8 55 A D E -A 345 0A 57 -2,-0.3 337,-0.3 337,-0.3 3,-0.1 -0.537 24.5-178.4 -72.9 137.7 -1.3 18.5 1.5 9 56 A L E S+ 0 0 6 335,-3.0 2,-0.3 1,-0.4 336,-0.2 0.613 76.7 19.0-103.6 -24.6 -0.6 16.9 4.8 10 57 A A E -A 344 0A 5 334,-2.1 334,-2.4 10,-0.1 2,-0.5 -0.969 64.7-164.6-147.0 130.3 3.0 18.0 5.1 11 58 A V E > -A 343 0A 54 -2,-0.3 3,-2.8 332,-0.2 332,-0.3 -0.978 37.0-104.0-115.9 126.4 4.7 20.8 3.3 12 59 A N T 3 S+ 0 0 47 330,-2.9 7,-0.2 -2,-0.5 3,-0.1 -0.212 107.4 17.8 -48.8 126.1 8.5 20.9 3.3 13 60 A G T 3 S+ 0 0 53 4,-2.5 2,-0.3 1,-0.3 3,-0.3 0.265 105.1 101.6 95.4 -11.7 9.6 23.6 5.7 14 61 A R S X S+ 0 0 178 -3,-2.8 3,-0.6 3,-0.3 -1,-0.3 -0.834 76.7 18.3-107.5 147.5 6.3 23.9 7.6 15 62 A E T 3 S- 0 0 158 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.705 131.9 -51.1 67.4 23.6 5.5 22.4 11.0 16 63 A G T 3 S+ 0 0 63 -3,-0.3 26,-0.3 1,-0.1 -1,-0.2 0.336 113.2 83.3 111.6 -4.9 9.1 21.9 12.0 17 64 A F < - 0 0 27 -3,-0.6 -4,-2.5 -6,-0.2 -3,-0.3 -0.996 58.4-147.8-135.6 133.0 10.9 20.0 9.3 18 65 A P S S+ 0 0 37 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.802 89.7 28.3 -62.4 -30.0 12.6 21.2 6.1 19 66 A N E -D 40 0B 65 21,-1.1 21,-3.0 -7,-0.2 2,-0.4 -0.995 59.5-170.8-142.7 135.7 11.7 17.9 4.4 20 67 A Y E +D 39 0B 8 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.971 24.6 151.1-121.0 139.0 9.0 15.3 4.6 21 68 A S E +D 38 0B 25 17,-2.2 17,-3.2 -2,-0.4 63,-0.2 -0.976 30.7 52.5-157.6 164.9 9.1 12.0 2.7 22 69 A H E - 0 0 31 -2,-0.3 138,-0.2 15,-0.2 -1,-0.2 0.996 65.7-141.2 72.5 74.1 8.2 8.3 2.5 23 70 A P E - 0 0 0 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.314 21.1-177.8 -73.8 145.7 4.4 8.1 3.0 24 71 A A E -D 36 0B 0 12,-2.6 12,-3.3 135,-0.1 2,-0.4 -0.992 9.3-178.4-136.0 136.8 2.6 5.4 4.9 25 72 A L E +D 35 0B 0 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.997 9.0 151.7-140.6 141.1 -1.2 5.3 5.0 26 73 A T E -D 34 0B 0 8,-2.1 8,-2.7 -2,-0.4 2,-0.5 -0.972 37.9-119.9-156.7 171.0 -3.7 3.1 6.7 27 74 A V E -D 33 0B 7 -2,-0.3 6,-0.2 6,-0.2 301,-0.1 -0.981 32.3-133.3-115.1 128.4 -7.1 2.9 8.2 28 75 A T > - 0 0 3 4,-3.0 3,-1.5 -2,-0.5 67,-0.1 -0.333 28.1-104.3 -74.3 163.3 -7.3 1.9 11.9 29 76 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 66,-0.1 0.834 124.2 54.9 -55.7 -32.5 -9.8 -0.7 13.1 30 77 A D T 3 S- 0 0 151 64,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.655 125.1-103.7 -77.4 -13.9 -12.0 2.1 14.5 31 78 A G S < S+ 0 0 26 -3,-1.5 29,-0.3 1,-0.3 2,-0.1 0.483 74.0 136.3 108.3 4.8 -12.0 3.8 11.0 32 79 A D - 0 0 32 27,-0.1 -4,-3.0 28,-0.1 2,-0.4 -0.497 51.4-126.9 -76.7 152.6 -9.6 6.6 11.5 33 80 A L E -DE 27 57B 1 24,-2.6 24,-2.7 -6,-0.2 2,-0.5 -0.865 21.1-160.8 -95.7 138.1 -7.0 7.3 8.7 34 81 A L E -DE 26 56B 0 -8,-2.7 -8,-2.1 -2,-0.4 2,-0.5 -0.986 4.9-169.3-117.7 128.6 -3.4 7.5 9.7 35 82 A A E +DE 25 55B 0 20,-2.8 20,-2.6 -2,-0.5 2,-0.3 -0.975 11.2 179.2-114.3 128.4 -0.9 9.2 7.5 36 83 A S E +DE 24 54B 0 -12,-3.3 -12,-2.6 -2,-0.5 2,-0.3 -0.908 11.4 146.7-128.8 156.1 2.8 8.7 8.4 37 84 A Y E - E 0 53B 0 16,-1.3 16,-3.1 -2,-0.3 2,-0.3 -0.937 43.6 -95.1-170.6 170.5 6.0 9.9 6.9 38 85 A D E -DE 21 52B 0 -17,-3.2 -17,-2.2 -2,-0.3 2,-0.5 -0.780 23.8-147.8-106.4 151.0 9.4 10.9 8.0 39 86 A G E -DE 20 51B 0 12,-2.5 12,-2.2 -2,-0.3 -19,-0.2 -0.966 4.4-152.3-114.6 131.2 10.6 14.4 8.8 40 87 A R E -D 19 0B 69 -21,-3.0 -21,-1.1 -2,-0.5 3,-0.1 -0.906 23.4-139.9-103.4 107.5 14.2 15.3 8.2 41 88 A P - 0 0 20 0, 0.0 -24,-0.1 0, 0.0 9,-0.0 -0.177 37.3 -72.6 -69.8 162.2 15.0 18.1 10.6 42 89 A T S S+ 0 0 124 -26,-0.3 2,-0.2 2,-0.1 -25,-0.0 -0.280 91.2 84.6 -54.5 129.8 17.1 21.0 9.6 43 90 A G S S- 0 0 40 -3,-0.1 5,-0.1 1,-0.1 -3,-0.0 -0.830 74.8-111.0 153.4 169.5 20.7 19.9 9.3 44 91 A I + 0 0 167 -2,-0.2 -1,-0.1 3,-0.1 -2,-0.1 0.351 67.2 125.0-111.5 3.0 23.4 18.3 7.1 45 92 A A - 0 0 45 2,-0.0 3,-0.2 4,-0.0 -2,-0.0 -0.351 53.9-130.3 -66.4 143.6 23.8 15.0 8.9 46 93 A A S S+ 0 0 93 1,-0.4 61,-0.2 2,-0.1 2,-0.1 -0.908 99.3 27.3-151.2 120.6 23.3 11.8 6.8 47 94 A P S S- 0 0 34 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.410 110.1-144.6 -66.5 138.5 21.7 9.6 7.7 48 95 A G - 0 0 10 -3,-0.2 2,-2.3 -2,-0.1 55,-0.2 -0.204 22.8 -98.1 -78.3 166.4 19.9 12.4 9.4 49 96 A P + 0 0 15 0, 0.0 24,-0.3 0, 0.0 32,-0.2 -0.416 62.1 176.6 -79.6 64.0 18.2 12.3 12.8 50 97 A N - 0 0 18 -2,-2.3 32,-1.8 -10,-0.1 2,-0.3 -0.210 19.2-143.7 -69.0 159.7 14.8 11.9 11.1 51 98 A S E -E 39 0B 12 -12,-2.2 -12,-2.5 30,-0.2 2,-0.5 -0.924 12.6-126.1-120.6 150.4 11.5 11.4 13.0 52 99 A I E -EF 38 71B 0 19,-2.3 18,-2.7 -2,-0.3 19,-1.4 -0.864 35.8-168.6 -91.1 127.7 8.5 9.3 12.1 53 100 A L E -EF 37 69B 0 -16,-3.1 -16,-1.3 -2,-0.5 2,-0.3 -0.741 8.6-162.9-116.7 162.5 5.5 11.5 12.2 54 101 A Q E -EF 36 68B 7 14,-2.3 14,-3.0 -2,-0.3 2,-0.4 -0.998 8.3-169.3-147.1 140.1 1.8 10.8 12.1 55 102 A R E -E 35 0B 50 -20,-2.6 -20,-2.8 -2,-0.3 2,-0.4 -0.990 16.3-150.1-125.9 144.5 -1.4 12.7 11.3 56 103 A R E -E 34 0B 42 -2,-0.4 9,-3.1 10,-0.3 2,-0.5 -0.893 7.4-162.6-116.0 137.9 -4.9 11.3 12.1 57 104 A S E +E 33 0B 0 -24,-2.7 -24,-2.6 -2,-0.4 3,-0.3 -0.988 9.3 178.7-115.9 127.2 -8.2 11.9 10.3 58 105 A T S S+ 0 0 100 -2,-0.5 6,-0.1 5,-0.3 -1,-0.1 0.326 77.4 63.1-103.3 5.4 -11.4 10.9 12.2 59 106 A D S > S- 0 0 56 4,-0.5 3,-0.9 -26,-0.1 -1,-0.2 -0.116 123.9 -86.0-123.3 36.9 -13.7 12.1 9.4 60 107 A G T 3 S- 0 0 22 -3,-0.3 -2,-0.1 -29,-0.3 271,-0.1 0.658 88.8 -49.7 75.8 17.1 -12.7 9.8 6.6 61 108 A G T 3 S+ 0 0 3 2,-0.4 -1,-0.2 -28,-0.1 3,-0.1 0.383 110.4 111.1 104.7 -1.9 -9.8 11.9 5.3 62 109 A R S < S+ 0 0 133 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.941 86.0 16.0 -70.2 -47.6 -11.6 15.3 5.1 63 110 A T S S- 0 0 83 0, 0.0 -4,-0.5 0, 0.0 2,-0.4 -0.917 70.8-148.3-130.5 157.5 -9.6 16.9 8.0 64 111 A W - 0 0 23 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.967 9.6-134.0-133.5 137.8 -6.5 16.0 9.8 65 112 A G - 0 0 39 -9,-3.1 3,-0.1 -2,-0.4 -1,-0.1 0.055 49.7 -51.0 -78.3-170.9 -5.2 16.5 13.3 66 113 A E - 0 0 152 1,-0.1 2,-0.4 -11,-0.1 -10,-0.3 -0.275 59.9-101.2 -67.9 146.3 -1.9 17.7 14.6 67 114 A Q - 0 0 41 -12,-0.1 2,-0.3 -3,-0.1 -12,-0.2 -0.537 47.1-167.2 -65.5 122.0 1.3 16.2 13.4 68 115 A Q E -F 54 0B 96 -14,-3.0 -14,-2.3 -2,-0.4 2,-0.6 -0.799 20.4-118.0-113.8 156.2 2.5 13.8 16.1 69 116 A V E +F 53 0B 80 -2,-0.3 -16,-0.3 -16,-0.2 3,-0.2 -0.845 27.3 173.8 -98.9 116.6 5.8 12.1 16.6 70 117 A V E S+ 0 0 9 -18,-2.7 2,-0.4 -2,-0.6 -17,-0.2 0.908 82.6 11.5 -79.9 -51.0 5.8 8.3 16.5 71 118 A S E S-F 52 0B 5 -19,-1.4 -19,-2.3 11,-0.1 2,-0.6 -0.984 79.4-144.5-131.6 122.2 9.6 8.0 16.8 72 119 A A - 0 0 65 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.748 13.6-132.5 -93.7 122.5 11.7 11.0 17.6 73 120 A G - 0 0 17 -2,-0.6 2,-0.6 -24,-0.3 8,-0.2 -0.272 17.8-125.7 -61.3 153.7 15.1 11.4 16.0 74 121 A Q B -G 80 0C 66 6,-2.4 6,-1.9 -24,-0.1 -1,-0.1 -0.938 24.2-175.1-105.4 115.0 18.0 12.2 18.3 75 122 A T + 0 0 94 -2,-0.6 2,-0.3 4,-0.2 4,-0.2 0.542 63.4 71.0 -91.8 -9.0 19.7 15.4 16.9 76 123 A T S S- 0 0 101 2,-0.2 4,-0.1 4,-0.0 -2,-0.0 -0.806 101.6 -55.7-102.1 148.7 22.5 15.4 19.4 77 124 A A S S+ 0 0 81 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.433 124.6 54.8 -60.7 135.6 25.4 12.9 19.4 78 125 A P S S- 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.238 97.3-149.9 -76.5 120.1 24.9 10.0 19.5 79 126 A I - 0 0 45 -4,-0.2 2,-0.4 -6,-0.1 -4,-0.2 -0.245 17.2-175.6 -61.9 139.7 22.6 10.7 16.5 80 127 A K B -G 74 0C 43 -6,-1.9 -6,-2.4 -4,-0.1 2,-0.3 -0.999 1.3-172.1-137.6 136.4 19.6 8.6 15.9 81 128 A G E -H 103 0D 0 22,-2.5 22,-2.9 -2,-0.4 2,-0.4 -0.944 10.7-162.8-128.6 151.8 17.2 8.7 13.0 82 129 A F E +H 102 0D 24 -32,-1.8 -43,-0.3 -2,-0.3 2,-0.3 -0.997 28.5 148.0-132.9 126.1 13.9 7.1 12.2 83 130 A S E +H 101 0D 13 18,-1.0 18,-2.7 -2,-0.4 -31,-0.1 -0.927 34.9 46.6-150.3 169.5 12.6 7.0 8.6 84 131 A H E - 0 0 38 -2,-0.3 -1,-0.2 -63,-0.2 73,-0.1 0.963 66.5-157.1 61.0 64.0 10.6 5.2 6.0 85 132 A P E - 0 0 0 0, 0.0 75,-1.8 0, 0.0 2,-0.4 -0.396 14.2-172.4 -73.6 147.8 7.5 4.2 7.9 86 133 A S E -Hi 99 160D 0 13,-2.0 13,-3.0 73,-0.3 75,-0.3 -0.977 13.4-146.1-134.4 126.9 5.2 1.4 6.8 87 134 A Y E -Hi 98 161D 0 73,-2.2 75,-2.9 -2,-0.4 2,-0.3 -0.604 15.9-179.5 -83.7 150.5 1.9 0.8 8.6 88 135 A L E -H 97 0D 0 9,-2.2 9,-2.8 -2,-0.2 2,-0.5 -0.905 9.7-159.5-149.0 118.8 0.6 -2.7 9.1 89 136 A V E -H 96 0D 6 73,-0.3 2,-0.9 -2,-0.3 7,-0.2 -0.873 12.0-147.8-102.6 127.9 -2.8 -3.3 10.8 90 137 A D > - 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