==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLUORESCENT PROTEIN 28-SEP-11 3U0L . COMPND 2 MOLECULE: MRUBY; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTACMAEA QUADRICOLOR; . AUTHOR J.AKERBOOM,L.L.LOOGER,E.R.SCHREITER . 216 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 47.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 11 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 2 0 1 1 2 1 3 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 1 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 3 A S 0 0 103 0, 0.0 76,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.2 5.4 1.0 0.2 2 4 A L + 0 0 89 75,-0.2 2,-0.8 1,-0.1 75,-0.0 0.739 360.0 74.0 -67.7 -20.1 7.8 0.4 3.2 3 5 A I S S- 0 0 3 74,-0.1 -1,-0.1 77,-0.1 2,-0.1 -0.837 79.7-162.7 -97.3 109.0 4.7 0.7 5.3 4 6 A K - 0 0 117 -2,-0.8 29,-0.2 2,-0.2 -2,-0.1 -0.326 34.5-102.2 -86.9 171.7 2.7 -2.4 4.8 5 7 A E S S+ 0 0 143 1,-0.2 2,-0.4 26,-0.1 28,-0.2 0.783 116.9 38.4 -66.9 -29.3 -1.0 -3.2 5.5 6 8 A N S S+ 0 0 128 25,-0.2 2,-0.4 26,-0.1 25,-0.2 -0.999 78.1 174.9-116.1 125.3 0.2 -5.0 8.6 7 9 A M E -A 30 0A 8 23,-2.1 23,-2.0 -2,-0.4 2,-0.2 -1.000 19.5-145.3-133.0 140.4 3.1 -3.6 10.6 8 10 A R E -A 29 0A 152 101,-0.4 103,-2.6 -2,-0.4 2,-0.3 -0.595 16.8-165.7 -93.7 153.4 4.7 -4.6 13.8 9 11 A M E -Ab 28 111A 2 19,-1.8 19,-2.3 -2,-0.2 2,-0.3 -0.983 9.0-169.5-134.7 151.8 6.1 -2.1 16.3 10 12 A K E -Ab 27 112A 110 101,-2.1 103,-2.8 -2,-0.3 2,-0.4 -0.982 10.9-167.9-139.6 152.0 8.3 -2.2 19.3 11 13 A V E -Ab 26 113A 5 15,-2.6 15,-2.4 -2,-0.3 2,-0.4 -0.997 20.5-162.7-140.9 143.9 9.1 0.4 21.9 12 14 A V E +Ab 25 114A 37 101,-2.1 103,-2.5 -2,-0.4 2,-0.4 -0.999 21.1 178.9-118.9 126.1 11.4 1.3 24.7 13 15 A L E +Ab 24 115A 0 11,-2.5 11,-3.2 -2,-0.4 2,-0.3 -0.995 9.5 159.4-129.9 129.1 10.1 4.1 26.9 14 16 A E E +Ab 23 116A 66 101,-2.2 103,-2.5 -2,-0.4 2,-0.3 -0.950 13.3 88.5-145.6 162.7 12.0 5.3 29.9 15 17 A G E -Ab 22 117A 1 7,-2.2 7,-2.5 -2,-0.3 2,-0.3 -0.997 57.9 -69.0 152.7-143.1 12.4 8.2 32.3 16 18 A S E -Ab 21 118A 12 101,-1.8 103,-2.8 -2,-0.3 2,-0.4 -0.992 17.0-159.3-149.9 152.6 11.0 9.5 35.5 17 19 A V E > S-Ab 20 119A 0 3,-1.7 3,-2.3 -2,-0.3 103,-0.2 -0.992 87.2 -14.3-133.0 124.3 7.9 11.0 37.0 18 20 A N T 3 S- 0 0 61 101,-2.2 102,-0.2 -2,-0.4 3,-0.1 0.851 132.6 -51.1 50.2 40.5 8.2 13.1 40.2 19 21 A G T 3 S+ 0 0 64 100,-0.6 2,-0.7 1,-0.2 -1,-0.3 0.333 108.9 126.8 85.4 -5.6 11.7 11.6 40.7 20 22 A H E < -A 17 0A 64 -3,-2.3 -3,-1.7 30,-0.0 -1,-0.2 -0.782 49.8-147.9 -93.2 112.1 10.6 7.9 40.2 21 23 A Q E +A 16 0A 128 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.500 26.4 159.0 -79.4 147.0 12.7 6.3 37.5 22 24 A F E -A 15 0A 6 -7,-2.5 -7,-2.2 -2,-0.2 2,-0.3 -0.981 27.0-149.3-158.1 166.8 11.3 3.5 35.3 23 25 A K E -AC 14 45A 56 22,-2.1 21,-2.4 -2,-0.3 22,-1.8 -0.987 13.0-174.9-145.3 137.4 11.5 1.6 32.0 24 26 A C E -AC 13 43A 0 -11,-3.2 -11,-2.5 -2,-0.3 2,-0.4 -0.942 7.5-160.3-125.3 151.9 8.9 0.0 29.9 25 27 A T E -AC 12 42A 39 17,-2.3 17,-2.8 -2,-0.3 2,-0.3 -0.972 13.6-177.4-126.7 148.5 9.0 -2.1 26.8 26 28 A G E -AC 11 41A 7 -15,-2.4 -15,-2.6 -2,-0.4 2,-0.3 -0.974 11.1-176.4-139.6 155.8 6.2 -2.7 24.3 27 29 A E E +AC 10 40A 93 13,-2.1 13,-2.9 -2,-0.3 2,-0.3 -0.981 22.9 128.1-148.6 149.2 5.4 -4.6 21.2 28 30 A G E -AC 9 39A 1 -19,-2.3 -19,-1.8 -2,-0.3 2,-0.3 -0.872 34.8-123.7-169.7-162.5 2.4 -4.7 19.0 29 31 A E E +AC 8 38A 77 9,-1.9 9,-2.5 -21,-0.3 2,-0.3 -0.982 22.0 164.6-159.3 165.1 1.0 -4.5 15.6 30 32 A G E -AC 7 37A 12 -23,-2.0 -23,-2.1 -2,-0.3 7,-0.2 -0.976 42.3 -96.4-167.3-177.2 -1.6 -2.6 13.6 31 33 A N E >>> - C 0 36A 36 5,-1.9 3,-1.5 -2,-0.3 5,-1.5 -0.922 30.2-165.1-116.7 100.4 -3.0 -1.6 10.1 32 34 A P T 345S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 34,-0.2 0.815 86.8 53.1 -58.4 -32.7 -1.4 1.8 9.3 33 35 A Y T 345S+ 0 0 87 -28,-0.2 -28,-0.1 1,-0.2 32,-0.1 0.557 111.4 45.5 -85.3 -8.4 -3.9 2.5 6.6 34 36 A M T <45S- 0 0 91 -3,-1.5 33,-0.3 -29,-0.2 -1,-0.2 0.453 108.6-122.7-103.2 -3.0 -6.9 1.8 8.8 35 37 A G T <5 + 0 0 0 -4,-0.8 178,-2.4 -3,-0.4 2,-0.4 0.758 68.3 126.9 68.1 30.3 -5.5 3.9 11.7 36 38 A T E < +CD 31 212A 55 -5,-1.5 -5,-1.9 176,-0.2 2,-0.3 -0.905 26.0 157.7-122.5 148.8 -5.7 1.0 14.1 37 39 A Q E -CD 30 211A 14 174,-1.7 174,-2.2 -2,-0.4 2,-0.4 -0.983 21.0-156.3-162.2 155.7 -3.0 -0.5 16.4 38 40 A T E -CD 29 210A 39 -9,-2.5 -9,-1.9 -2,-0.3 2,-0.4 -0.987 11.6-169.4-131.9 141.2 -2.6 -2.6 19.6 39 41 A M E -CD 28 209A 6 170,-2.7 170,-2.2 -2,-0.4 2,-0.5 -0.998 15.3-149.6-137.5 142.2 0.4 -2.7 21.9 40 42 A R E -CD 27 208A 70 -13,-2.9 -13,-2.1 -2,-0.4 2,-0.4 -0.910 26.3-168.2-106.0 121.9 1.3 -5.0 24.8 41 43 A I E -CD 26 207A 1 166,-3.1 166,-2.4 -2,-0.5 2,-0.4 -0.943 11.5-168.6-125.8 133.8 3.4 -3.1 27.4 42 44 A K E -CD 25 206A 117 -17,-2.8 -17,-2.3 -2,-0.4 2,-0.7 -0.974 22.5-134.5-119.0 139.8 5.4 -4.3 30.3 43 45 A V E +C 24 0A 11 162,-2.6 -19,-0.3 -2,-0.4 3,-0.1 -0.826 30.4 172.2 -84.7 117.7 7.0 -2.2 33.1 44 46 A I E + 0 0 76 -21,-2.4 2,-0.3 -2,-0.7 -20,-0.2 0.638 61.8 27.2-109.4 -18.9 10.5 -3.8 33.4 45 47 A E E S+C 23 0A 108 -22,-1.8 -22,-2.1 1,-0.0 -1,-0.3 -0.989 117.5 19.8-140.3 145.2 12.2 -1.4 35.8 46 48 A G S S- 0 0 32 -2,-0.3 -22,-0.0 1,-0.3 -2,-0.0 0.510 90.3-176.0 80.1 7.9 10.8 0.8 38.6 47 49 A G + 0 0 34 -24,-0.1 -1,-0.3 2,-0.1 2,-0.1 -0.543 55.6 51.9 -86.0 159.4 7.5 -1.0 39.0 48 50 A P S S- 0 0 79 0, 0.0 156,-0.1 0, 0.0 -1,-0.1 0.419 89.7-137.2 -67.3 138.8 5.0 -0.9 40.4 49 51 A L - 0 0 6 154,-0.4 2,-0.4 1,-0.1 4,-0.1 -0.454 0.7-143.0 -68.5 135.4 4.8 2.7 39.2 50 52 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.133 79.9 55.8 -90.4 34.0 3.6 5.0 41.9 51 53 A F S S- 0 0 0 -2,-0.4 2,-0.2 79,-0.1 78,-0.2 -0.965 101.3 -73.1-155.4 162.9 1.6 7.1 39.4 52 54 A A > - 0 0 1 76,-1.9 3,-1.7 -2,-0.3 4,-0.3 -0.378 29.6-143.9 -63.1 128.5 -1.2 6.5 36.8 53 55 A F T >> S+ 0 0 0 1,-0.3 3,-2.4 -2,-0.2 4,-1.1 0.829 92.7 81.1 -61.6 -26.0 -0.0 4.7 33.7 54 56 A D H 3> S+ 0 0 7 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.813 81.1 62.9 -49.5 -34.1 -2.4 6.8 31.8 55 57 A I H <4 S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.721 110.1 39.8 -68.9 -16.4 0.1 9.7 31.8 56 58 A L H X4 S+ 0 0 1 -3,-2.4 3,-2.3 -4,-0.3 4,-0.4 0.606 92.7 88.4 -94.8 -18.4 2.4 7.5 29.8 57 59 A A H >< S+ 0 0 5 -4,-1.1 3,-1.0 -3,-0.4 -2,-0.1 0.818 84.6 52.4 -61.7 -35.4 -0.2 6.0 27.5 58 60 A T T 3< S+ 0 0 35 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.404 101.8 63.5 -85.3 6.3 -0.1 8.7 24.8 59 61 A S T < 0 0 6 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.509 360.0 360.0-101.4 -11.2 3.7 8.3 24.5 60 62 A F < 0 0 10 -3,-1.0 -2,-0.1 -4,-0.4 -1,-0.1 0.626 360.0 360.0 -82.0 360.0 3.8 4.8 23.3 61 ! 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 62 66 A S > 0 0 17 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 71.0 2.7 5.9 17.2 63 67 A R T 3 + 0 0 13 1,-0.3 3,-0.4 2,-0.1 13,-0.2 0.514 360.0 75.7 -76.5 -13.3 1.9 8.3 14.3 64 68 A T T 3 S+ 0 0 0 1,-0.2 2,-0.8 12,-0.1 -1,-0.3 0.725 86.3 69.8 -66.5 -24.3 2.4 5.9 11.4 65 69 A F < + 0 0 0 -3,-1.5 2,-0.5 -30,-0.1 148,-0.3 -0.406 69.0 118.5 -97.1 56.6 -1.0 4.4 12.3 66 70 A I - 0 0 2 -2,-0.8 2,-0.9 -3,-0.4 -31,-0.3 -0.988 65.5-127.7-116.7 130.8 -3.2 7.3 11.3 67 71 A K B -e 214 0A 77 146,-2.5 148,-2.7 -2,-0.5 -34,-0.1 -0.718 32.6-170.5 -74.7 107.0 -5.8 6.7 8.6 68 72 A Y - 0 0 26 -2,-0.9 6,-0.1 146,-0.2 148,-0.1 -0.868 15.0-129.6-103.0 128.4 -5.1 9.6 6.1 69 73 A P > - 0 0 38 0, 0.0 3,-2.1 0, 0.0 2,-0.3 -0.418 32.0 -93.7 -63.5 156.7 -7.5 10.3 3.2 70 74 A K T 3 S+ 0 0 217 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.432 119.3 43.2 -54.8 122.9 -6.6 10.7 -0.3 71 75 A G T 3 S+ 0 0 61 -2,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.301 96.9 79.7 104.6 -10.8 -6.2 14.5 -0.4 72 76 A I S < S- 0 0 11 -3,-2.1 143,-0.1 114,-0.1 -1,-0.1 -0.927 82.9-128.6-122.2 112.8 -4.4 15.0 2.9 73 77 A P - 0 0 28 0, 0.0 2,-0.9 0, 0.0 -3,-0.0 -0.206 16.8-131.5 -54.7 141.6 -0.6 14.2 2.5 74 78 A D > - 0 0 22 1,-0.2 4,-1.9 -6,-0.1 5,-0.1 -0.823 21.4-174.0-103.0 97.2 0.6 11.8 5.1 75 79 A F H > S+ 0 0 0 -2,-0.9 4,-0.8 1,-0.2 -1,-0.2 0.876 80.9 51.5 -58.5 -40.8 3.8 13.3 6.6 76 80 A F H >4 S+ 0 0 0 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.952 110.4 43.5 -68.7 -53.1 4.5 10.2 8.7 77 81 A K H >4 S+ 0 0 22 1,-0.2 3,-1.1 -14,-0.2 -1,-0.2 0.889 111.8 55.8 -63.5 -36.3 4.3 7.5 6.1 78 82 A Q H 3< S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.698 93.4 72.7 -66.9 -18.7 6.3 9.6 3.6 79 83 A S T - G 0 168A 8 4,-3.0 3,-2.9 -2,-0.5 76,-0.2 -0.743 24.8-119.0 -98.2 141.6 -1.8 19.3 33.4 93 97 A E T 3 S+ 0 0 131 74,-2.8 75,-0.1 -2,-0.3 -1,-0.1 0.735 113.3 54.1 -56.1 -23.1 -4.3 21.8 35.0 94 98 A D T 3 S- 0 0 54 73,-0.2 -1,-0.3 2,-0.1 32,-0.1 0.232 129.2 -91.1 -96.4 13.8 -3.0 20.9 38.5 95 99 A G S < S+ 0 0 39 -3,-2.9 -2,-0.2 1,-0.3 25,-0.1 0.314 76.8 139.9 96.2 -8.0 0.6 21.7 37.6 96 100 A G - 0 0 0 -4,-0.1 -4,-3.0 23,-0.1 2,-0.4 -0.507 30.1-168.4 -57.7 140.6 2.1 18.4 36.3 97 101 A V E -FH 91 120A 31 23,-2.2 23,-2.3 -6,-0.2 2,-0.5 -1.000 5.2-172.2-133.0 129.9 4.5 18.9 33.3 98 102 A I E -FH 90 119A 5 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.4 -0.991 5.7-163.7-125.2 128.2 5.8 16.1 31.2 99 103 A T E -FH 89 118A 63 19,-2.4 19,-2.3 -2,-0.5 2,-0.4 -0.913 11.4-172.6-104.3 135.0 8.4 16.4 28.5 100 104 A V E -FH 88 117A 2 -12,-2.6 -12,-2.5 -2,-0.4 2,-0.4 -0.990 12.7-169.6-133.5 138.3 8.8 13.6 26.0 101 105 A M E -FH 87 116A 81 15,-2.2 15,-2.5 -2,-0.4 2,-0.4 -0.997 18.0-176.1-120.5 130.1 11.4 13.1 23.2 102 106 A Q E -FH 86 115A 2 -16,-2.9 -16,-2.1 -2,-0.4 2,-0.4 -0.979 17.0-160.8-134.6 140.5 10.7 10.3 20.8 103 107 A D E -FH 85 114A 43 11,-2.5 11,-2.1 -2,-0.4 2,-0.5 -0.980 6.7-162.9-112.5 135.8 12.4 8.6 17.8 104 108 A T E +FH 84 113A 0 -20,-2.6 -20,-1.0 -2,-0.4 2,-0.3 -0.977 20.1 162.9-119.5 120.5 10.7 6.5 15.2 105 109 A S E - 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