==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLUORESCENT PROTEIN 12-JAN-08 3BXC . COMPND 2 MOLECULE: FAR-RED FLUORESCENT PROTEIN MKATE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTACMAEA QUADRICOLOR; . AUTHOR S.PLETNEV,N.PLETNEVA,V.PLETNEV . 1747 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1318 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 808 46.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 1.4 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 . 201 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.4 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 6 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 . 8 0 1 0 1 0 0 0 0 7 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 8 0 0 9 6 9 8 16 24 8 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 0 0 0 0 0 0 0 7 1 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 5 A I 0 0 59 0, 0.0 2,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 113.3 27.4 4.5 33.5 2 6 A T - 0 0 80 2,-0.1 29,-0.2 105,-0.1 3,-0.1 -0.460 360.0 -96.5-115.4 172.2 30.3 2.3 32.5 3 7 A E S S+ 0 0 96 1,-0.2 2,-0.4 -2,-0.1 28,-0.3 0.835 115.7 33.7 -57.1 -34.6 32.0 0.7 29.5 4 8 A N S S+ 0 0 93 25,-0.2 2,-0.3 26,-0.1 -1,-0.2 -0.977 76.0 174.0-127.5 122.5 30.1 -2.5 30.2 5 9 A M E -A 28 0A 7 23,-2.1 23,-2.1 -2,-0.4 2,-0.2 -0.924 17.4-147.7-129.5 151.8 26.6 -2.5 31.6 6 10 A H E -Ab 27 108A 109 101,-0.6 103,-2.2 -2,-0.3 2,-0.3 -0.665 13.5-164.4-110.9 169.9 23.9 -5.1 32.2 7 11 A M E -Ab 26 109A 1 19,-1.9 19,-1.7 -2,-0.2 2,-0.4 -0.991 12.7-157.6-158.7 140.7 20.2 -4.8 32.1 8 12 A K E -Ab 25 110A 109 101,-2.9 103,-2.8 -2,-0.3 2,-0.3 -0.976 19.6-159.3-122.6 139.0 17.1 -6.6 33.2 9 13 A L E -Ab 24 111A 6 15,-2.7 15,-1.2 -2,-0.4 2,-0.4 -0.868 11.5-166.1-126.3 159.7 13.8 -6.0 31.4 10 14 A Y E +Ab 23 112A 150 101,-0.8 103,-3.0 -2,-0.3 2,-0.4 -0.927 13.7 177.5-148.5 106.7 10.2 -6.5 32.3 11 15 A M E +Ab 22 113A 3 11,-2.7 11,-2.2 -2,-0.4 2,-0.3 -0.889 7.2 162.2-121.9 148.5 7.4 -6.4 29.8 12 16 A E E +Ab 21 114A 66 101,-1.4 103,-2.1 -2,-0.4 2,-0.3 -0.967 20.5 107.3-155.7 144.1 3.6 -7.0 29.9 13 17 A G E -Ab 20 115A 0 7,-1.8 7,-2.3 -2,-0.3 2,-0.4 -0.998 50.1 -86.5 172.7-167.7 0.8 -6.1 27.7 14 18 A T E -Ab 19 116A 14 101,-1.6 103,-2.7 -2,-0.3 2,-0.5 -0.996 18.3-173.6-136.9 126.3 -2.0 -6.9 25.2 15 19 A V E S- b 0 117A 0 3,-1.8 3,-0.2 -2,-0.4 103,-0.2 -0.944 84.5 -20.4-120.8 110.2 -1.9 -7.2 21.4 16 20 A N S S- 0 0 13 101,-2.7 -1,-0.2 -2,-0.5 102,-0.1 0.944 129.3 -48.7 58.8 51.1 -5.4 -7.6 19.9 17 21 A N S S+ 0 0 59 100,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.749 110.8 127.6 59.4 22.6 -6.9 -8.8 23.2 18 22 A H - 0 0 67 -3,-0.2 -3,-1.8 2,-0.0 -1,-0.2 -0.884 49.3-151.3-111.4 104.2 -4.0 -11.3 23.6 19 23 A H E +A 14 0A 65 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.433 25.9 157.4 -71.6 140.1 -2.3 -10.9 27.0 20 24 A F E -A 13 0A 0 -7,-2.3 -7,-1.8 -2,-0.1 2,-0.3 -0.936 24.2-153.2-150.9 173.5 1.4 -11.7 27.4 21 25 A K E -AC 12 43A 70 22,-1.8 21,-1.1 -2,-0.3 22,-1.1 -0.985 10.5-176.7-151.2 149.5 4.6 -11.1 29.5 22 26 A C E -AC 11 41A 1 -11,-2.2 -11,-2.7 -2,-0.3 2,-0.3 -0.940 8.2-170.5-140.8 160.4 8.3 -11.2 28.9 23 27 A T E +AC 10 40A 44 17,-1.7 17,-2.7 -2,-0.3 2,-0.3 -0.926 14.1 175.4-137.8 163.9 11.5 -10.8 30.8 24 28 A S E -AC 9 39A 3 -15,-1.2 -15,-2.7 -2,-0.3 2,-0.3 -0.979 16.0-155.5-162.1 165.6 15.0 -10.5 29.4 25 29 A E E +AC 8 38A 110 13,-1.5 13,-3.2 -2,-0.3 2,-0.3 -0.970 24.2 146.8-141.4 154.2 18.6 -9.9 30.4 26 30 A G E -AC 7 37A 2 -19,-1.7 -19,-1.9 -2,-0.3 2,-0.3 -0.981 28.0-140.2-172.2 175.7 21.5 -8.6 28.4 27 31 A E E +AC 6 36A 65 9,-0.7 9,-1.8 -2,-0.3 2,-0.3 -0.960 24.2 158.3-146.0 157.9 24.7 -6.6 28.4 28 32 A G E -AC 5 35A 7 -23,-2.1 -23,-2.1 -2,-0.3 7,-0.2 -0.968 46.4 -90.5-166.6-178.2 26.3 -4.1 26.1 29 33 A K E >>> - C 0 34A 82 5,-1.3 3,-1.6 -2,-0.3 5,-1.1 -0.844 31.3-165.3-111.6 93.6 28.7 -1.3 25.5 30 34 A P T 345S+ 0 0 0 0, 0.0 34,-0.4 0, 0.0 -1,-0.1 0.728 87.5 47.4 -48.5 -32.1 26.8 1.9 26.1 31 35 A Y T 345S+ 0 0 103 -28,-0.3 -28,-0.1 1,-0.2 32,-0.1 0.654 113.6 44.9 -93.3 -17.1 29.5 4.1 24.5 32 36 A E T <45S- 0 0 94 -3,-1.6 33,-0.2 -29,-0.2 179,-0.2 0.351 108.1-125.1 -99.9 1.9 29.9 2.0 21.4 33 37 A G T <5 + 0 0 0 -4,-0.9 178,-1.1 1,-0.2 2,-0.3 0.569 65.1 132.7 68.5 12.6 26.1 1.7 21.0 34 38 A T E < +CD 29 210A 40 -5,-1.1 -5,-1.3 176,-0.2 2,-0.3 -0.677 25.1 162.3 -94.0 149.3 26.2 -2.2 20.9 35 39 A Q E -CD 28 209A 8 174,-1.2 174,-2.2 -2,-0.3 2,-0.4 -0.968 22.9-154.8-163.7 153.6 23.8 -4.4 23.0 36 40 A T E -CD 27 208A 30 -9,-1.8 -9,-0.7 -2,-0.3 2,-0.4 -0.977 10.2-169.7-133.5 142.6 22.4 -7.9 23.3 37 41 A M E -CD 26 207A 5 170,-2.4 170,-2.8 -2,-0.4 2,-0.6 -0.996 10.6-158.2-140.1 127.1 19.2 -9.0 24.9 38 42 A R E -CD 25 206A 75 -13,-3.2 -13,-1.5 -2,-0.4 2,-0.3 -0.933 24.5-168.4-109.8 116.5 18.0 -12.5 25.7 39 43 A I E -CD 24 205A 1 166,-3.1 166,-1.7 -2,-0.6 2,-0.4 -0.773 13.9-167.5-115.2 145.4 14.2 -12.6 26.0 40 44 A K E -CD 23 204A 118 -17,-2.7 -17,-1.7 -2,-0.3 2,-1.0 -0.984 22.1-136.8-127.0 142.2 11.6 -15.1 27.2 41 45 A V E +C 22 0A 18 162,-2.1 -19,-0.2 -2,-0.4 4,-0.2 -0.849 26.8 175.7 -89.0 103.3 7.9 -15.2 26.9 42 46 A V E + 0 0 76 -21,-1.1 2,-0.3 -2,-1.0 -20,-0.2 0.380 66.0 23.1 -92.0 3.1 7.0 -16.2 30.4 43 47 A E E S+C 21 0A 91 -22,-1.1 -22,-1.8 -3,-0.0 -1,-0.2 -0.924 117.4 23.6-164.0 143.6 3.2 -15.9 29.8 44 48 A G S S- 0 0 31 -2,-0.3 -2,-0.1 1,-0.3 -24,-0.0 0.420 88.8-172.0 82.2 -1.9 0.9 -16.0 26.8 45 49 A G + 0 0 39 -4,-0.2 -1,-0.3 -24,-0.1 2,-0.1 -0.446 56.7 42.6 -76.4 146.7 3.4 -18.0 24.7 46 50 A P S S- 0 0 69 0, 0.0 156,-0.1 0, 0.0 155,-0.1 0.579 90.9-134.8 -79.5 148.5 3.6 -18.8 22.0 47 51 A L - 0 0 0 154,-0.4 -2,-0.1 1,-0.1 4,-0.1 -0.461 4.7-144.2 -71.5 136.6 2.4 -15.5 20.7 48 52 A P S S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.384 83.4 64.5 -75.0 -0.7 -0.3 -15.4 18.0 49 53 A F S S- 0 0 0 79,-0.1 78,-0.2 80,-0.1 -2,-0.1 -0.913 101.8 -82.7-127.6 154.6 1.4 -12.3 16.5 50 54 A A > - 0 0 0 76,-3.1 3,-0.9 -2,-0.3 4,-0.2 -0.210 32.2-142.2 -52.2 135.1 4.8 -11.7 14.9 51 55 A F G >> S+ 0 0 1 1,-0.2 3,-1.9 2,-0.1 4,-0.7 0.717 90.5 82.5 -75.1 -16.6 7.3 -11.1 17.6 52 56 A D G >4 S+ 0 0 8 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.784 78.2 66.3 -59.0 -26.9 8.9 -8.5 15.4 53 57 A I G <4 S+ 0 0 1 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.693 101.4 48.9 -71.0 -16.3 6.4 -5.9 16.6 54 58 A L G X4 S+ 0 0 0 -3,-1.9 3,-2.4 -4,-0.2 4,-0.3 0.643 85.0 94.5 -93.9 -13.4 7.8 -6.0 20.1 55 59 A A G X< S+ 0 0 0 -4,-0.7 3,-2.1 -3,-0.7 -2,-0.1 0.877 82.8 49.0 -44.8 -58.7 11.4 -5.6 19.0 56 60 A T G 3 S+ 0 0 32 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.575 100.6 67.9 -63.0 -7.0 11.7 -1.8 19.4 57 61 A S G < 0 0 1 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.460 360.0 360.0 -93.1 1.1 10.1 -2.1 22.9 58 62 A F < 0 0 11 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.1 0.838 360.0 360.0 -99.4 360.0 13.2 -3.9 24.2 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 66 A S > 0 0 12 0, 0.0 3,-1.9 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 65.9 17.3 0.7 25.3 61 67 A K T 3 + 0 0 10 1,-0.3 3,-0.3 2,-0.1 13,-0.2 0.579 360.0 71.5 -68.6 -15.6 18.2 4.3 24.7 62 68 A T T 3 S+ 0 0 0 1,-0.2 2,-0.9 12,-0.1 -1,-0.3 0.678 84.7 70.6 -72.6 -19.6 21.3 4.3 26.9 63 69 A F S < S+ 0 0 0 -3,-1.9 2,-0.5 -30,-0.1 -1,-0.2 -0.443 70.1 118.0 -99.4 58.6 23.2 2.1 24.4 64 70 A I - 0 0 2 -2,-0.9 2,-0.7 -34,-0.4 148,-0.2 -0.995 66.6-125.7-124.9 122.9 23.6 4.8 21.7 65 71 A N B -e 212 0A 35 146,-2.8 148,-3.2 -2,-0.5 2,-1.0 -0.568 22.8-167.1 -68.9 109.4 27.1 5.9 20.7 66 72 A H + 0 0 26 -2,-0.7 3,-0.2 146,-0.2 4,-0.1 -0.695 21.7 161.8-101.4 80.7 27.1 9.7 21.1 67 73 A T > + 0 0 65 -2,-1.0 3,-2.8 146,-0.4 147,-0.0 0.126 51.4 56.3 -71.8-163.7 30.3 10.7 19.3 68 74 A Q T 3 S- 0 0 115 1,-0.3 -1,-0.2 146,-0.0 146,-0.0 0.758 125.1 -83.0 46.2 31.4 30.9 14.2 18.1 69 75 A G T 3 S+ 0 0 74 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.864 75.6 171.7 34.2 46.2 30.4 15.3 21.6 70 76 A I < - 0 0 6 -3,-2.8 2,-0.2 -4,-0.1 -1,-0.2 -0.712 45.8-100.6 -75.8 131.4 26.7 15.3 20.9 71 77 A P - 0 0 19 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.386 32.8-139.2 -60.1 120.5 25.0 15.9 24.2 72 78 A D > - 0 0 20 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 -0.678 20.0-176.4 -87.0 97.9 23.8 12.5 25.5 73 79 A F H > S+ 0 0 2 -2,-1.1 4,-0.6 1,-0.2 -1,-0.2 0.760 82.1 49.5 -65.8 -23.4 20.3 13.1 27.0 74 80 A F H 4 S+ 0 0 0 -13,-0.2 3,-0.3 2,-0.2 4,-0.2 0.913 111.2 43.2 -87.2 -46.8 20.1 9.5 28.1 75 81 A K H >4 S+ 0 0 25 1,-0.2 3,-0.7 -14,-0.2 -2,-0.2 0.786 113.8 54.5 -68.2 -27.4 23.4 9.0 29.9 76 82 A Q H 3< S+ 0 0 54 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.773 91.4 73.3 -74.7 -26.6 23.0 12.4 31.5 77 83 A S T 3X S+ 0 0 0 -4,-0.6 4,-1.3 -3,-0.3 3,-0.3 0.573 85.5 148.7 -67.5 -9.3 19.6 11.5 33.0 78 84 A F T <4 + 0 0 20 -3,-0.7 25,-0.0 1,-0.3 96,-0.0 -0.485 47.4 15.5 -86.8 153.8 21.1 9.2 35.6 79 85 A P T 4 S+ 0 0 85 0, 0.0 25,-0.8 0, 0.0 -1,-0.3 -0.997 129.8 50.5 -86.4 -5.7 20.9 8.1 38.3 80 86 A E T 4 S- 0 0 64 -3,-0.3 -2,-0.3 1,-0.2 2,-0.1 0.847 97.7-155.5 -56.5 -34.7 17.3 9.4 38.2 81 87 A G < - 0 0 0 -4,-1.3 94,-2.2 22,-0.1 95,-0.4 -0.380 5.2-106.7 84.5-169.4 16.8 7.6 34.8 82 88 A F E -FG 102 174A 0 20,-1.3 20,-2.3 92,-0.2 2,-0.3 -0.935 15.1-135.4-150.5 169.5 14.3 8.5 32.1 83 89 A T E -FG 101 173A 10 90,-2.5 90,-2.5 -2,-0.3 2,-0.3 -0.896 13.6-161.3-124.8 159.1 11.0 7.3 30.6 84 90 A W E -FG 100 172A 2 16,-1.7 16,-2.5 -2,-0.3 2,-0.3 -0.973 3.6-164.2-134.8 156.5 9.8 7.0 27.0 85 91 A E E -FG 99 171A 1 86,-1.8 86,-2.4 -2,-0.3 2,-0.4 -0.992 12.1-178.1-131.9 148.2 6.5 6.7 25.2 86 92 A R E -FG 98 170A 10 12,-2.2 12,-2.8 -2,-0.3 2,-0.5 -0.996 20.9-163.0-150.3 134.8 5.8 5.6 21.7 87 93 A V E -FG 97 169A 1 82,-1.9 82,-2.3 -2,-0.4 2,-0.5 -0.991 18.1-163.2-112.8 119.5 2.9 5.1 19.3 88 94 A T E -FG 96 168A 4 8,-2.4 8,-2.8 -2,-0.5 2,-0.6 -0.924 3.7-160.0-103.0 129.0 3.9 2.9 16.3 89 95 A T E -FG 95 167A 57 78,-2.7 78,-2.6 -2,-0.5 2,-0.2 -0.925 3.2-153.0-117.2 111.6 1.6 3.1 13.4 90 96 A Y E > - G 0 166A 8 4,-2.4 3,-1.9 -2,-0.6 76,-0.2 -0.560 21.5-128.3 -76.3 142.5 1.5 0.3 10.8 91 97 A E T 3 S+ 0 0 50 74,-2.7 -1,-0.1 1,-0.3 75,-0.1 0.661 107.2 58.2 -70.8 -8.7 0.4 1.3 7.3 92 98 A D T 3 S- 0 0 47 73,-0.2 -1,-0.3 2,-0.1 74,-0.1 0.356 127.6 -86.4-100.5 3.9 -2.1 -1.5 7.3 93 99 A G S < S+ 0 0 19 -3,-1.9 27,-0.1 1,-0.4 -2,-0.1 -0.109 83.3 126.2 125.0 -39.0 -4.0 -0.4 10.4 94 100 A G - 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