==== 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 3U0N . COMPND 2 MOLECULE: MRUBY; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTACMAEA QUADRICOLOR; . AUTHOR J.AKERBOOM,L.L.LOOGER,E.R.SCHREITER . 221 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 45.7 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 . 17 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.6 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 2 2 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 4 A L 0 0 128 0, 0.0 2,-0.7 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0 -40.6 0.8 3.6 8.5 2 5 A I - 0 0 15 77,-0.1 2,-0.1 74,-0.1 4,-0.1 -0.925 360.0-166.3-106.7 105.6 1.2 7.4 8.5 3 6 A K - 0 0 149 -2,-0.7 29,-0.2 2,-0.2 3,-0.1 -0.306 35.8-101.1 -91.5 173.2 -1.9 8.9 7.1 4 7 A E S S+ 0 0 136 1,-0.2 2,-0.4 26,-0.1 29,-0.2 0.734 117.4 36.2 -70.6 -25.5 -2.5 12.5 5.9 5 8 A N S S+ 0 0 117 25,-0.2 2,-0.4 26,-0.1 -1,-0.2 -0.991 79.9 175.9-126.8 120.6 -4.3 13.2 9.1 6 9 A M E -A 29 0A 4 23,-2.4 23,-2.1 -2,-0.4 2,-0.3 -0.972 18.5-144.0-128.8 138.5 -2.9 11.5 12.2 7 10 A R E -A 28 0A 145 -2,-0.4 103,-2.7 101,-0.4 2,-0.3 -0.694 15.3-165.8 -96.3 153.4 -3.8 11.7 15.8 8 11 A M E -Ab 27 110A 1 19,-2.0 19,-2.5 -2,-0.3 2,-0.3 -0.969 8.9-165.3-139.3 155.9 -1.4 11.6 18.8 9 12 A K E -Ab 26 111A 105 101,-1.9 103,-2.6 -2,-0.3 2,-0.4 -0.976 14.3-167.8-138.1 141.8 -1.7 11.1 22.6 10 13 A V E -Ab 25 112A 4 15,-2.5 15,-2.4 -2,-0.3 2,-0.4 -0.997 20.8-163.8-140.0 142.2 1.0 11.9 25.1 11 14 A V E +Ab 24 113A 46 101,-1.9 103,-2.5 -2,-0.4 2,-0.4 -0.999 18.2 179.9-114.0 124.6 2.0 11.3 28.7 12 15 A L E +Ab 23 114A 0 11,-2.5 11,-3.0 -2,-0.4 2,-0.3 -0.998 12.8 156.6-126.8 126.6 4.8 13.6 30.0 13 16 A E E +Ab 22 115A 52 101,-2.4 103,-2.5 -2,-0.4 2,-0.3 -0.974 13.4 89.6-148.1 163.8 5.9 13.3 33.6 14 17 A G E -Ab 21 116A 3 7,-2.1 7,-2.3 -2,-0.3 2,-0.3 -0.997 60.6 -69.7 152.9-145.3 8.9 14.0 35.8 15 18 A S E -Ab 20 117A 16 101,-1.9 103,-2.8 -2,-0.3 2,-0.4 -0.992 18.2-160.3-148.9 150.8 10.2 16.9 37.9 16 19 A V E > S-Ab 19 118A 1 3,-1.6 3,-2.1 -2,-0.3 103,-0.2 -0.984 87.6 -13.2-130.2 125.6 11.7 20.3 37.6 17 20 A N T 3 S- 0 0 62 101,-2.5 102,-0.1 -2,-0.4 3,-0.1 0.888 132.3 -53.1 47.7 46.7 13.7 21.7 40.6 18 21 A G T 3 S+ 0 0 62 100,-0.5 2,-0.7 1,-0.2 -1,-0.3 0.310 107.8 128.1 75.5 -0.1 12.2 18.9 42.6 19 22 A H E < -A 16 0A 64 -3,-2.1 -3,-1.6 30,-0.0 -1,-0.2 -0.743 49.3-146.6 -92.8 114.5 8.6 19.6 41.8 20 23 A Q E +A 15 0A 128 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.511 28.1 156.3 -82.9 144.8 6.8 16.4 40.5 21 24 A F E -A 14 0A 6 -7,-2.3 -7,-2.1 -2,-0.2 2,-0.3 -0.974 28.8-150.3-160.2 166.0 4.1 16.6 37.8 22 25 A K E -AC 13 44A 58 22,-2.1 21,-2.0 -2,-0.3 22,-1.9 -0.982 13.3-173.0-146.3 133.6 2.3 14.7 35.1 23 26 A C E -AC 12 42A 0 -11,-3.0 -11,-2.5 -2,-0.3 2,-0.4 -0.929 6.0-159.7-126.8 147.9 0.7 16.2 31.9 24 27 A T E +AC 11 41A 35 17,-2.5 17,-2.8 -2,-0.3 2,-0.3 -0.980 13.4 179.4-129.5 141.3 -1.5 14.5 29.3 25 28 A G E -AC 10 40A 9 -15,-2.4 -15,-2.5 -2,-0.4 2,-0.3 -0.973 12.2-174.2-139.2 158.2 -2.1 15.7 25.8 26 29 A E E +AC 9 39A 81 13,-2.1 13,-2.9 -2,-0.3 2,-0.3 -0.994 22.5 132.6-150.7 145.9 -3.9 14.7 22.7 27 30 A G E -AC 8 38A 1 -19,-2.5 -19,-2.0 -2,-0.3 2,-0.3 -0.920 32.3-126.9-163.5-162.0 -4.0 16.2 19.2 28 31 A E E +AC 7 37A 76 9,-1.8 9,-2.6 -2,-0.3 2,-0.3 -0.978 21.9 159.6-161.8 167.2 -3.8 15.8 15.5 29 32 A G E -AC 6 36A 12 -23,-2.1 -23,-2.4 -2,-0.3 7,-0.2 -0.981 44.8 -91.4-173.2-176.2 -1.9 17.1 12.5 30 33 A N E >>> - C 0 35A 33 5,-1.7 5,-1.6 -2,-0.3 4,-1.1 -0.921 32.5-165.9-116.1 100.6 -0.9 16.5 8.9 31 34 A P T 345S+ 0 0 0 0, 0.0 34,-0.3 0, 0.0 3,-0.2 0.819 86.3 50.7 -66.0 -27.9 2.4 14.7 9.0 32 35 A Y T 345S+ 0 0 114 1,-0.2 35,-0.1 -28,-0.2 -28,-0.1 0.699 111.5 48.4 -82.7 -19.1 3.3 15.3 5.4 33 36 A M T <45S- 0 0 98 -3,-0.9 33,-0.3 -29,-0.2 -1,-0.2 0.553 109.5-122.4 -90.4 -6.2 2.5 19.1 5.7 34 37 A G T <5 + 0 0 0 -4,-1.1 178,-2.4 31,-0.2 2,-0.3 0.713 69.0 126.0 74.9 26.7 4.6 19.4 8.8 35 38 A T E < +CD 30 211A 28 -5,-1.6 -5,-1.7 176,-0.2 2,-0.3 -0.914 25.8 156.2-122.9 145.9 1.7 20.8 10.9 36 39 A Q E -CD 29 210A 10 174,-1.7 174,-2.4 -2,-0.3 2,-0.4 -0.979 21.4-157.3-162.0 149.0 0.2 19.7 14.2 37 40 A T E -CD 28 209A 27 -9,-2.6 -9,-1.8 -2,-0.3 2,-0.4 -0.987 11.4-168.2-127.6 143.3 -1.8 20.9 17.2 38 41 A M E -CD 27 208A 6 170,-2.6 170,-2.3 -2,-0.4 2,-0.5 -0.996 14.3-149.0-134.1 138.8 -1.9 19.5 20.7 39 42 A R E -CD 26 207A 69 -13,-2.9 -13,-2.1 -2,-0.4 2,-0.4 -0.940 25.2-166.6-105.4 126.5 -4.2 20.2 23.7 40 43 A I E -CD 25 206A 1 166,-3.3 166,-2.5 -2,-0.5 2,-0.4 -0.953 12.4-170.6-127.2 132.5 -2.4 19.7 27.0 41 44 A K E -CD 24 205A 116 -17,-2.8 -17,-2.5 -2,-0.4 2,-0.7 -0.970 22.6-136.6-115.3 138.8 -3.6 19.4 30.6 42 45 A V E +C 23 0A 8 162,-2.5 -19,-0.3 -2,-0.4 3,-0.1 -0.853 30.4 172.8 -90.2 111.4 -1.5 19.3 33.8 43 46 A I E + 0 0 76 -21,-2.0 2,-0.4 -2,-0.7 -20,-0.2 0.582 60.9 29.7-101.1 -18.2 -3.2 16.5 35.7 44 47 A E E S+C 22 0A 109 -22,-1.9 -22,-2.1 1,-0.0 -1,-0.2 -0.995 118.9 17.7-140.2 140.6 -0.8 16.1 38.7 45 48 A G S S- 0 0 31 -2,-0.4 -2,-0.1 1,-0.3 -22,-0.0 0.523 90.2-173.8 83.1 7.4 1.3 18.7 40.3 46 49 A G + 0 0 33 -24,-0.1 -1,-0.3 2,-0.1 2,-0.1 -0.531 55.7 48.7 -87.7 156.3 -0.4 21.8 39.0 47 50 A P S S- 0 0 73 0, 0.0 156,-0.1 0, 0.0 157,-0.0 0.496 87.5-139.0 -77.9 141.6 -0.2 24.7 39.0 48 51 A L - 0 0 8 154,-0.5 2,-0.2 -2,-0.1 4,-0.1 -0.521 3.0-141.3 -69.3 139.7 3.4 24.2 38.0 49 52 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.132 81.5 59.7 -91.4 32.3 5.8 26.7 39.7 50 53 A F S S- 0 0 0 -2,-0.2 78,-0.2 79,-0.1 2,-0.2 -0.965 99.9 -77.1-151.2 158.7 7.8 27.0 36.4 51 54 A A > - 0 0 1 76,-1.8 3,-1.7 -2,-0.3 4,-0.3 -0.391 28.5-143.2 -62.8 130.3 7.2 28.2 32.9 52 55 A F T >> S+ 0 0 0 1,-0.3 3,-2.8 -2,-0.2 4,-1.1 0.820 93.2 80.7 -62.6 -29.2 5.4 25.7 30.7 53 56 A D H 3> S+ 0 0 7 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.780 82.0 63.7 -46.4 -31.0 7.6 26.9 27.8 54 57 A I H <4 S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.655 110.1 38.2 -74.4 -14.3 10.4 24.7 29.2 55 58 A L H X> S+ 0 0 2 -3,-2.8 3,-2.2 -4,-0.3 4,-0.5 0.556 92.1 89.0-100.1 -13.7 8.2 21.6 28.5 56 59 A A H >< S+ 0 0 4 -4,-1.1 3,-0.9 -3,-0.4 -2,-0.2 0.832 85.5 52.6 -66.7 -35.1 6.6 22.7 25.3 57 60 A T T 3< S+ 0 0 33 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.440 101.3 63.5 -79.6 4.9 9.4 21.3 23.1 58 61 A S T <4 0 0 4 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.589 360.0 360.0 -99.0 -16.6 9.0 17.8 24.8 59 62 A F << 0 0 9 -3,-0.9 -2,-0.1 -4,-0.5 -1,-0.1 0.746 360.0 360.0 -80.1 360.0 5.5 17.2 23.6 60 ! 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 61 66 A S > 0 0 14 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 68.5 6.6 15.0 17.8 62 67 A R T 3 + 0 0 16 1,-0.3 3,-0.3 2,-0.0 13,-0.2 0.591 360.0 77.2 -78.0 -4.7 8.9 14.3 15.0 63 68 A T T 3 S+ 0 0 0 1,-0.2 2,-0.8 12,-0.1 -1,-0.3 0.682 85.8 71.8 -70.8 -18.6 6.6 12.3 12.7 64 69 A F < + 0 0 0 -3,-1.6 2,-0.4 -30,-0.1 148,-0.3 -0.506 67.6 118.1 -99.9 50.3 5.1 15.7 11.7 65 70 A I - 0 0 2 -2,-0.8 2,-0.7 -34,-0.3 -31,-0.2 -0.996 64.1-126.6-114.3 135.6 7.9 17.2 9.6 66 71 A K B -e 213 0A 85 146,-2.3 148,-3.0 -2,-0.4 -34,-0.1 -0.726 30.2-166.2 -78.2 115.1 7.5 18.1 6.0 67 72 A Y - 0 0 34 -2,-0.7 2,-0.1 146,-0.2 6,-0.1 -0.915 8.0-143.0-105.5 128.9 10.4 16.4 4.0 68 73 A P > - 0 0 52 0, 0.0 3,-2.0 0, 0.0 2,-0.1 -0.443 36.6 -82.5 -82.7 164.5 11.2 17.4 0.5 69 74 A K T 3 S+ 0 0 214 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.430 119.8 43.6 -64.3 134.0 12.3 15.0 -2.3 70 75 A G T 3 S+ 0 0 61 -2,-0.1 116,-0.3 -3,-0.1 -1,-0.3 0.145 100.3 76.4 108.3 -14.0 16.0 14.5 -1.8 71 76 A I S < S- 0 0 11 -3,-2.0 143,-0.1 114,-0.1 113,-0.0 -0.899 76.5-139.0-129.8 102.5 15.9 14.2 2.0 72 77 A P - 0 0 29 0, 0.0 2,-0.9 0, 0.0 110,-0.0 -0.242 19.3-123.4 -56.4 143.3 14.7 10.8 3.3 73 78 A D > - 0 0 21 1,-0.2 4,-1.7 -6,-0.1 110,-0.1 -0.828 23.6-171.8 -98.3 103.6 12.4 11.0 6.4 74 79 A F H > S+ 0 0 0 -2,-0.9 4,-0.6 1,-0.2 -1,-0.2 0.853 81.6 51.6 -57.5 -41.4 13.9 9.0 9.1 75 80 A F H >4 S+ 0 0 0 -13,-0.2 3,-1.2 1,-0.2 4,-0.3 0.933 109.4 45.3 -72.3 -53.6 10.9 9.3 11.4 76 81 A K H >4 S+ 0 0 25 1,-0.2 3,-1.1 -14,-0.2 -1,-0.2 0.838 110.8 56.1 -57.5 -38.4 8.1 8.2 9.0 77 82 A Q H 3< S+ 0 0 54 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.695 91.9 73.2 -68.0 -16.8 10.3 5.3 7.9 78 83 A S T XX S+ 0 0 0 -3,-1.2 4,-1.8 -4,-0.6 3,-0.5 0.607 82.7 141.3 -76.6 -11.4 10.6 4.0 11.5 79 84 A F T <4 + 0 0 3 -3,-1.1 -77,-0.1 1,-0.3 25,-0.0 -0.437 48.2 26.8 -83.1 152.6 7.0 2.8 11.6 80 85 A P T 34 S+ 0 0 71 0, 0.0 25,-0.5 0, 0.0 -1,-0.3 -0.988 131.5 40.8 -78.0 -14.6 5.4 0.6 12.7 81 86 A E T <4 S- 0 0 51 -3,-0.5 -2,-0.2 1,-0.2 2,-0.2 0.848 95.8-156.9 -66.9 -36.7 8.0 0.1 15.4 82 87 A G < - 0 0 0 -4,-1.8 94,-2.7 -7,-0.1 95,-0.4 -0.499 7.6-100.8 91.3-156.7 8.6 3.8 16.0 83 88 A F E -FG 103 175A 0 20,-1.0 20,-2.6 92,-0.3 2,-0.3 -0.928 16.7-131.3-158.4 170.0 11.6 5.5 17.5 84 89 A T E -FG 102 174A 33 90,-2.9 90,-2.5 -2,-0.3 2,-0.3 -0.898 11.4-158.1-124.1 162.8 12.9 7.1 20.6 85 90 A W E -FG 101 173A 2 16,-2.1 16,-3.0 -2,-0.3 2,-0.4 -0.993 3.0-167.4-143.7 147.8 14.7 10.4 21.4 86 91 A E E -FG 100 172A 66 86,-1.7 86,-2.8 -2,-0.3 2,-0.4 -0.998 16.5-179.8-134.4 130.6 16.9 11.4 24.3 87 92 A R E -FG 99 171A 9 12,-2.6 12,-2.5 -2,-0.4 2,-0.4 -0.989 22.3-163.2-138.2 137.8 17.8 15.1 24.9 88 93 A V E -FG 98 170A 56 82,-1.4 82,-1.3 -2,-0.4 2,-0.6 -0.996 16.9-166.0-120.4 121.0 19.8 17.2 27.2 89 94 A T E -FG 97 169A 7 8,-2.7 8,-2.5 -2,-0.4 2,-0.5 -0.967 1.2-165.3-107.8 124.6 18.9 20.9 27.2 90 95 A R E -FG 96 168A 134 78,-2.6 78,-2.2 -2,-0.6 2,-0.3 -0.941 6.0-154.5-116.8 124.1 21.2 23.5 28.8 91 96 A Y E > - G 0 167A 11 4,-3.0 3,-2.2 -2,-0.5 76,-0.2 -0.665 26.9-116.5 -91.8 153.4 20.0 27.0 29.5 92 97 A E T 3 S+ 0 0 127 74,-2.5 75,-0.1 1,-0.3 -1,-0.1 0.673 113.2 57.2 -70.1 -15.5 22.3 29.9 29.7 93 98 A D T 3 S- 0 0 49 73,-0.2 -1,-0.3 2,-0.1 74,-0.1 0.327 126.9 -93.8 -98.7 16.2 21.4 30.5 33.3 94 99 A G S < S+ 0 0 36 -3,-2.2 -2,-0.1 1,-0.3 27,-0.1 0.201 76.9 141.5 103.5 -12.6 22.4 27.0 34.3 95 100 A G - 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