==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLUORESCENT PROTEIN 14-AUG-08 3E5W . COMPND 2 MOLECULE: RED FLUORESCENT PROTEIN EQFP611; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTACMAEA QUADRICOLOR; . AUTHOR K.NIENHAUS,H.NAR,R.HEILKER,J.WIEDENMANN,G.U.NIENHAUS . 904 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 638 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 409 45.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 . 71 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 . 2 2 0 0 0 0 0 0 1 3 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 4 0 0 8 0 4 4 8 3 13 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 4 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 0 111 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.4 38.0 14.2 81.2 2 4 A L + 0 0 85 1,-0.2 2,-0.8 75,-0.1 75,-0.0 0.867 360.0 60.4 -70.7 -37.6 39.3 14.2 77.6 3 5 A I S S- 0 0 4 74,-0.1 -1,-0.2 77,-0.1 4,-0.1 -0.830 83.5-162.4 -95.2 106.6 36.0 15.6 76.3 4 6 A K - 0 0 110 -2,-0.8 29,-0.2 2,-0.3 -2,-0.1 -0.295 35.3 -98.6 -87.1 171.8 35.5 18.9 78.0 5 7 A E S S+ 0 0 110 1,-0.1 2,-0.4 26,-0.1 28,-0.3 0.797 117.1 36.2 -58.1 -31.1 32.3 21.1 78.5 6 8 A N S S+ 0 0 88 25,-0.2 2,-0.3 26,-0.1 -2,-0.3 -0.993 77.0 172.0-125.5 131.8 33.6 23.2 75.5 7 9 A M E -A 30 0A 6 23,-2.3 23,-2.3 -2,-0.4 2,-0.3 -0.980 18.1-149.8-138.5 152.7 35.4 21.6 72.6 8 10 A R E -A 29 0A 136 101,-0.5 103,-2.7 -2,-0.3 2,-0.3 -0.790 13.0-163.5-117.7 161.0 36.6 22.7 69.2 9 11 A M E -Ab 28 111A 1 19,-1.8 19,-2.3 -2,-0.3 2,-0.4 -0.984 10.3-156.3-143.5 154.7 37.0 20.8 66.0 10 12 A M E -Ab 27 112A 112 101,-2.4 103,-3.0 -2,-0.3 2,-0.4 -0.982 17.9-167.3-131.2 139.7 38.7 21.0 62.6 11 13 A V E -Ab 26 113A 4 15,-3.1 15,-2.3 -2,-0.4 2,-0.4 -0.982 17.1-171.3-134.3 147.5 37.6 19.2 59.5 12 14 A V E -Ab 25 114A 51 101,-1.9 103,-2.7 -2,-0.4 2,-0.4 -0.999 12.0-175.3-131.8 126.7 38.8 18.4 56.0 13 15 A M E +Ab 24 115A 0 11,-2.9 11,-3.1 -2,-0.4 2,-0.3 -0.995 7.9 169.5-125.3 129.1 36.4 16.9 53.5 14 16 A E E +Ab 23 116A 67 101,-2.3 103,-2.0 -2,-0.4 2,-0.3 -0.995 23.2 87.1-139.1 146.1 37.5 15.7 50.1 15 17 A G E -Ab 22 117A 10 7,-1.8 7,-2.3 -2,-0.3 2,-0.3 -0.984 57.6 -82.5 164.8-154.7 35.9 13.7 47.4 16 18 A S E -Ab 21 118A 0 101,-1.4 103,-3.0 -2,-0.3 2,-0.4 -0.971 12.1-152.9-146.4 158.5 33.6 14.0 44.3 17 19 A V E > S-Ab 20 119A 0 3,-1.8 3,-2.2 -2,-0.3 103,-0.2 -0.987 88.3 -15.3-134.1 119.4 30.0 14.2 43.3 18 20 A N T 3 S- 0 0 17 101,-2.5 102,-0.1 -2,-0.4 3,-0.1 0.845 132.1 -50.8 54.2 36.2 29.0 12.9 39.9 19 21 A G T 3 S+ 0 0 22 100,-0.5 2,-0.7 1,-0.2 -1,-0.3 0.296 110.0 126.1 87.6 -9.2 32.7 12.9 38.9 20 22 A Y E < -A 17 0A 93 -3,-2.2 -3,-1.8 1,-0.0 -1,-0.2 -0.752 51.6-144.2 -88.1 115.6 33.2 16.5 40.1 21 23 A Q E +A 16 0A 94 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.523 29.0 155.5 -81.1 145.2 36.1 16.8 42.5 22 24 A F E -A 15 0A 6 -7,-2.3 -7,-1.8 -2,-0.2 2,-0.3 -0.956 25.3-148.6-157.4 169.7 36.1 19.3 45.4 23 25 A K E -AC 14 45A 56 22,-2.2 21,-1.7 -2,-0.3 22,-1.7 -0.991 9.6-170.7-149.5 139.8 37.5 19.9 48.9 24 26 A C E -AC 13 43A 0 -11,-3.1 -11,-2.9 -2,-0.3 2,-0.3 -0.958 2.6-166.7-129.0 151.5 36.2 21.7 52.0 25 27 A T E +AC 12 42A 47 17,-2.3 17,-3.0 -2,-0.3 2,-0.3 -0.941 14.9 172.3-132.1 154.7 37.8 22.7 55.3 26 28 A G E -AC 11 41A 10 -15,-2.3 -15,-3.1 -2,-0.3 2,-0.3 -0.995 21.2-159.2-159.4 161.2 36.1 23.8 58.4 27 29 A E E +AC 10 40A 77 13,-1.9 13,-2.8 -2,-0.3 2,-0.3 -0.989 23.0 163.4-143.0 142.6 36.4 24.7 62.1 28 30 A G E -AC 9 39A 0 -19,-2.3 -19,-1.8 -2,-0.3 2,-0.3 -0.867 23.1-143.1-147.9-176.2 33.8 24.7 64.8 29 31 A D E +AC 8 38A 41 9,-2.0 9,-2.7 -2,-0.3 2,-0.3 -0.982 24.5 153.6-152.4 153.1 33.0 24.7 68.5 30 32 A G E -AC 7 37A 2 -23,-2.3 -23,-2.3 -2,-0.3 7,-0.3 -0.969 46.1-102.8-167.3-179.8 30.3 23.1 70.6 31 33 A N E >>> - C 0 36A 56 5,-2.3 5,-1.5 -2,-0.3 3,-1.3 -0.907 28.3-163.9-121.3 93.8 29.2 21.8 74.0 32 34 A P T 345S+ 0 0 0 0, 0.0 34,-0.2 0, 0.0 -1,-0.1 0.794 88.7 47.4 -49.1 -37.5 29.5 18.0 73.8 33 35 A Y T 345S+ 0 0 84 -28,-0.3 35,-0.3 1,-0.2 -28,-0.1 0.676 111.3 49.6 -83.0 -17.3 27.3 17.4 76.9 34 36 A M T <45S- 0 0 105 -3,-1.3 33,-0.3 -29,-0.2 -1,-0.2 0.574 108.4-125.8 -92.0 -14.8 24.6 19.9 75.8 35 37 A G T <5 + 0 0 0 -4,-1.2 178,-2.1 1,-0.3 2,-0.3 0.736 67.6 124.7 74.9 27.2 24.5 18.2 72.3 36 38 A T E < +CD 31 212A 26 -5,-1.5 -5,-2.3 176,-0.2 2,-0.3 -0.894 28.2 159.9-121.4 148.9 25.1 21.4 70.5 37 39 A Q E -CD 30 211A 11 174,-1.4 174,-2.2 -2,-0.3 2,-0.4 -0.981 21.8-153.9-164.7 151.8 27.7 22.5 67.9 38 40 A T E -CD 29 210A 26 -9,-2.7 -9,-2.0 -2,-0.3 2,-0.4 -0.986 11.0-167.7-131.6 138.0 28.4 25.0 65.2 39 41 A M E -CD 28 209A 8 170,-2.6 170,-2.4 -2,-0.4 2,-0.6 -0.996 11.1-154.2-131.2 132.6 30.7 24.6 62.2 40 42 A R E -CD 27 208A 60 -13,-2.8 -13,-1.9 -2,-0.4 2,-0.4 -0.938 24.5-169.1-106.1 114.7 32.0 27.2 59.8 41 43 A I E -CD 26 207A 1 166,-3.4 166,-2.5 -2,-0.6 2,-0.4 -0.887 13.3-168.4-113.1 142.7 32.9 25.6 56.4 42 44 A K E -CD 25 206A 128 -17,-3.0 -17,-2.3 -2,-0.4 2,-0.8 -0.975 22.8-133.4-126.8 138.9 34.7 26.8 53.4 43 45 A V E +C 24 0A 6 162,-2.2 -19,-0.3 -2,-0.4 4,-0.1 -0.823 29.3 175.7 -88.7 110.3 34.9 25.2 49.9 44 46 A V E + 0 0 77 -21,-1.7 2,-0.3 -2,-0.8 -20,-0.2 0.652 63.2 29.6 -93.5 -18.7 38.6 25.5 49.2 45 47 A E E S+C 23 0A 110 -22,-1.7 -22,-2.2 1,-0.0 -1,-0.2 -0.991 120.4 16.8-142.6 134.1 38.7 23.6 45.9 46 48 A G S S- 0 0 25 -2,-0.3 -2,-0.1 1,-0.3 -22,-0.0 0.425 88.4-174.7 88.4 1.2 36.0 23.2 43.2 47 49 A G + 0 0 28 -24,-0.1 -1,-0.3 -4,-0.1 2,-0.1 -0.538 60.1 47.4 -83.5 147.7 33.9 26.1 44.3 48 50 A P S S- 0 0 72 0, 0.0 156,-0.1 0, 0.0 -1,-0.1 0.420 93.2-140.3 -71.9 135.2 31.2 27.2 43.5 49 51 A L - 0 0 10 154,-0.3 4,-0.1 1,-0.1 -2,-0.1 -0.374 6.3-138.9 -67.0 143.1 30.0 23.6 43.7 50 52 A P S S+ 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.313 84.1 61.7 -84.5 9.4 27.6 22.5 40.9 51 53 A F S S- 0 0 0 79,-0.1 78,-0.2 80,-0.1 2,-0.2 -0.931 100.1 -81.4-134.3 158.7 25.6 20.6 43.4 52 54 A A > - 0 0 0 76,-1.9 3,-1.6 -2,-0.3 4,-0.2 -0.372 27.8-143.3 -61.6 125.7 23.6 21.5 46.5 53 55 A F G >> S+ 0 0 1 1,-0.3 3,-2.9 -2,-0.2 4,-0.6 0.806 92.5 82.0 -58.8 -27.9 25.8 21.8 49.6 54 56 A D G >4 S+ 0 0 5 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.794 79.6 63.9 -47.5 -36.4 22.9 20.2 51.5 55 57 A I G <4 S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.659 103.4 48.7 -66.6 -13.2 24.1 16.7 50.5 56 58 A L G X> S+ 0 0 0 -3,-2.9 3,-1.8 -4,-0.2 4,-0.6 0.564 84.9 94.9 -97.1 -15.8 27.3 17.3 52.4 57 59 A A G X< S+ 0 0 1 -3,-1.0 3,-1.1 -4,-0.6 -2,-0.1 0.841 82.3 47.8 -46.0 -52.5 25.6 18.5 55.6 58 60 A T G 34 S+ 0 0 28 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.492 103.9 64.3 -72.7 -3.6 25.5 15.2 57.6 59 61 A S G <4 0 0 1 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.627 360.0 360.0 -95.5 -13.4 29.1 14.4 56.7 60 62 A F << 0 0 9 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.1 0.739 360.0 360.0 -93.0 360.0 30.5 17.4 58.7 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 11 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 67.3 30.3 15.1 64.6 63 67 A K T 3 + 0 0 12 1,-0.3 3,-0.3 2,-0.1 13,-0.2 0.528 360.0 75.9 -62.7 -15.6 29.1 12.3 67.0 64 68 A T T 3 S+ 0 0 0 1,-0.2 2,-0.9 12,-0.1 -1,-0.3 0.730 85.9 70.5 -69.9 -19.9 31.0 13.5 70.1 65 69 A F < + 0 0 1 -3,-1.6 2,-0.4 -30,-0.1 -1,-0.2 -0.462 67.5 121.0 -99.1 63.1 28.4 16.2 70.4 66 70 A I - 0 0 2 -2,-0.9 2,-0.3 -3,-0.3 -31,-0.2 -0.987 60.0-126.0-124.8 132.1 25.3 14.2 71.5 67 71 A K B -e 214 0A 84 146,-2.5 148,-3.0 -2,-0.4 2,-0.4 -0.584 26.1-168.2 -77.6 134.9 23.5 14.9 74.8 68 72 A H + 0 0 50 -35,-0.3 148,-0.1 -2,-0.3 3,-0.1 -0.984 15.7 166.7-124.2 137.4 23.1 11.9 77.0 69 73 A T - 0 0 93 146,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.681 57.5 -19.0-109.4 -83.8 20.9 11.7 80.1 70 74 A K S S+ 0 0 170 1,-0.1 -1,-0.3 3,-0.0 0, 0.0 -0.950 111.9 15.0-134.0 153.2 20.2 8.2 81.5 71 75 A G S S+ 0 0 62 -2,-0.3 116,-0.3 -3,-0.1 -1,-0.1 0.305 96.0 92.7 76.2 -6.9 20.4 4.6 80.5 72 76 A I - 0 0 17 114,-0.1 143,-0.1 143,-0.1 -1,-0.1 -0.889 65.7-143.8-125.1 105.1 22.6 5.0 77.4 73 77 A P - 0 0 45 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.310 28.7-111.8 -62.7 147.0 26.3 4.7 77.5 74 78 A D > - 0 0 21 1,-0.2 4,-1.8 111,-0.1 5,-0.1 -0.723 28.9-172.6 -87.0 97.9 28.2 7.2 75.2 75 79 A F T 4 S+ 0 0 5 -2,-1.0 4,-0.3 1,-0.2 -1,-0.2 0.854 84.4 43.8 -55.5 -39.6 29.8 5.1 72.5 76 80 A F T >4 S+ 0 0 7 -13,-0.2 3,-1.5 2,-0.2 4,-0.3 0.954 111.8 45.2 -76.7 -55.0 31.6 8.2 71.2 77 81 A K G >4 S+ 0 0 26 1,-0.3 3,-1.0 -14,-0.2 -2,-0.2 0.831 111.3 57.1 -61.2 -29.3 32.9 10.0 74.3 78 82 A Q G 3< S+ 0 0 52 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.635 92.6 72.1 -72.8 -18.5 34.2 6.6 75.7 79 83 A S G <> S+ 0 0 0 -3,-1.5 4,-2.1 -4,-0.3 3,-0.4 0.591 81.4 140.9 -76.0 -12.4 36.3 6.1 72.5 80 84 A F T <4 + 0 0 9 -3,-1.0 -78,-0.1 -4,-0.3 -77,-0.1 -0.479 51.8 24.3 -84.7 150.8 38.9 8.7 73.4 81 85 A P T 4 S+ 0 0 74 0, 0.0 25,-0.5 0, 0.0 -1,-0.3 -0.995 131.1 44.5 -76.2 -16.7 41.8 9.2 73.3 82 86 A E T 4 S- 0 0 81 -3,-0.4 -2,-0.3 1,-0.2 2,-0.2 0.858 94.7-158.7 -60.0 -38.5 41.8 6.6 70.4 83 87 A G < - 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