==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLUORESCENT PROTEIN 15-AUG-09 3IP2 . COMPND 2 MOLECULE: NEPTUNE RED FLUORESCENT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTACMAEA QUADRICOLOR; . AUTHOR M.Z.LIN,M.R.MCKEOWN,H.L.NG,T.A.AGUILERA,N.C.SHANER,W.MA,S.R. . 228 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 45.2 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 1.3 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 . 18 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 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 1 1 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 2 A E > 0 0 98 0, 0.0 3,-0.8 0, 0.0 78,-0.1 0.000 360.0 360.0 360.0 -34.5 -4.4 35.7 38.8 2 3 A E T 3 + 0 0 173 1,-0.3 76,-0.0 79,-0.1 0, 0.0 0.699 360.0 58.8 -66.2 -17.3 -4.1 39.5 39.1 3 4 A L T 3 S+ 0 0 53 75,-0.2 2,-0.9 1,-0.1 -1,-0.3 0.686 91.5 76.1 -81.5 -22.0 -0.9 38.8 37.2 4 5 A I S < S- 0 0 4 -3,-0.8 -1,-0.1 74,-0.1 4,-0.1 -0.819 74.7-165.1 -96.8 107.2 -2.9 37.2 34.4 5 6 A K - 0 0 137 -2,-0.9 29,-0.2 2,-0.2 -2,-0.1 -0.304 36.6 -97.3 -89.5 173.2 -4.4 40.1 32.4 6 7 A E S S+ 0 0 118 1,-0.1 2,-0.4 26,-0.1 28,-0.3 0.791 115.9 33.2 -64.0 -31.2 -7.2 40.0 29.8 7 8 A D S S+ 0 0 86 25,-0.2 2,-0.4 26,-0.1 -2,-0.2 -0.993 77.9 173.3-119.9 133.4 -4.6 40.0 27.0 8 9 A M E -A 31 0A 6 23,-2.2 23,-2.1 -2,-0.4 2,-0.2 -0.998 19.9-142.0-144.4 148.5 -1.3 38.2 27.5 9 10 A H E -A 30 0A 113 101,-0.4 103,-2.5 -2,-0.4 2,-0.3 -0.679 14.1-158.3 -97.8 160.1 1.8 37.3 25.4 10 11 A M E -Ab 29 112A 3 19,-2.2 19,-1.8 -2,-0.2 2,-0.3 -0.964 9.2-165.9-137.3 150.2 3.9 34.2 25.5 11 12 A K E -Ab 28 113A 88 101,-2.1 103,-2.9 -2,-0.3 2,-0.4 -0.995 16.0-167.1-132.3 139.9 7.4 33.2 24.4 12 13 A L E -Ab 27 114A 8 15,-2.7 15,-1.8 -2,-0.3 2,-0.4 -0.962 15.4-166.9-132.2 141.8 8.6 29.6 24.1 13 14 A Y E -Ab 26 115A 80 101,-2.4 103,-2.8 -2,-0.4 2,-0.3 -0.999 16.9-179.0-122.9 135.8 11.8 27.7 23.8 14 15 A M E +Ab 25 116A 0 11,-2.6 11,-2.1 -2,-0.4 2,-0.3 -0.985 9.0 174.9-135.6 138.2 11.7 24.0 22.8 15 16 A E E +Ab 24 117A 71 101,-1.7 103,-2.2 -2,-0.3 2,-0.3 -0.992 23.5 116.9-137.7 146.6 14.4 21.3 22.3 16 17 A G E -Ab 23 118A 1 7,-2.3 7,-2.4 -2,-0.3 2,-0.3 -0.995 45.1-112.1-178.8-173.5 14.1 17.7 21.7 17 18 A T E -Ab 22 119A 19 101,-1.2 103,-2.8 -2,-0.3 2,-0.5 -0.975 11.6-166.6-147.1 136.8 14.5 14.6 19.5 18 19 A V E > S-Ab 21 120A 1 3,-2.0 3,-1.6 -2,-0.3 103,-0.2 -0.994 81.3 -20.7-121.8 123.7 12.0 12.4 17.7 19 20 A N T 3 S- 0 0 40 101,-2.2 -1,-0.2 -2,-0.5 102,-0.1 0.928 130.1 -45.2 40.6 62.9 13.5 9.0 16.4 20 21 A N T 3 S+ 0 0 163 100,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.670 112.3 121.3 62.1 9.3 17.1 10.2 16.5 21 22 A H E < -A 18 0A 49 -3,-1.6 -3,-2.0 2,-0.0 2,-0.2 -0.936 50.4-154.6-105.3 115.2 16.3 13.5 14.8 22 23 A H E +A 17 0A 73 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.538 22.7 156.7 -85.0 150.9 17.3 16.5 17.0 23 24 A F E -A 16 0A 0 -7,-2.4 -7,-2.3 -2,-0.2 2,-0.3 -0.991 28.0-148.5-162.3 163.2 15.6 19.9 16.8 24 25 A K E -AC 15 46A 48 22,-2.0 21,-1.5 -2,-0.3 22,-1.4 -0.987 15.3-173.6-134.1 150.2 14.8 23.2 18.5 25 26 A C E -AC 14 44A 0 -11,-2.1 -11,-2.6 -2,-0.3 2,-0.3 -0.944 6.6-166.1-133.3 156.7 11.9 25.5 18.2 26 27 A T E -AC 13 43A 48 17,-2.2 17,-2.8 -2,-0.3 2,-0.3 -0.965 10.7-177.0-132.3 158.0 10.8 28.9 19.4 27 28 A S E -AC 12 42A 4 -15,-1.8 -15,-2.7 -2,-0.3 2,-0.3 -0.986 12.2-170.7-147.9 159.4 7.5 30.5 19.4 28 29 A E E +AC 11 41A 102 13,-1.8 13,-2.8 -2,-0.3 2,-0.3 -0.969 26.3 129.9-139.1 154.1 5.8 33.8 20.3 29 30 A G E -AC 10 40A 2 -19,-1.8 -19,-2.2 -2,-0.3 2,-0.3 -0.947 33.9-132.1-174.9-165.5 2.1 34.6 20.4 30 31 A E E +AC 9 39A 61 9,-1.3 9,-2.6 -2,-0.3 2,-0.3 -0.966 20.8 164.0-160.5 167.4 -0.7 36.0 22.5 31 32 A G E -AC 8 38A 9 -23,-2.1 -23,-2.2 -2,-0.3 7,-0.3 -0.946 44.0 -88.8-168.9-172.6 -4.2 35.3 23.6 32 33 A K E >>> - C 0 37A 66 5,-2.2 4,-1.3 -2,-0.3 5,-1.3 -0.904 32.1-164.4-118.6 96.9 -7.1 36.0 25.9 33 34 A P T 345S+ 0 0 0 0, 0.0 34,-0.3 0, 0.0 -1,-0.1 0.785 87.2 46.5 -56.1 -32.5 -6.6 33.8 28.9 34 35 A Y T 345S+ 0 0 87 -28,-0.3 36,-0.4 1,-0.2 -28,-0.1 0.668 113.0 48.9 -86.4 -17.7 -10.2 34.2 30.3 35 36 A E T <45S- 0 0 104 -3,-1.1 33,-0.3 -29,-0.2 -1,-0.2 0.560 109.3-124.0 -93.3 -10.5 -11.8 33.7 26.9 36 37 A G T <5 + 0 0 0 -4,-1.3 178,-1.9 1,-0.3 2,-0.3 0.624 67.0 125.1 80.8 18.5 -9.7 30.5 26.3 37 38 A T E < +CD 32 213A 33 -5,-1.3 -5,-2.2 176,-0.2 2,-0.3 -0.819 26.7 157.4-116.8 144.6 -8.2 31.6 23.0 38 39 A Q E -CD 31 212A 11 174,-1.8 174,-2.3 -2,-0.3 2,-0.4 -0.983 24.4-148.8-157.4 157.5 -4.6 31.9 21.8 39 40 A T E -CD 30 211A 25 -9,-2.6 -9,-1.3 -2,-0.3 2,-0.4 -0.978 11.6-167.4-125.8 137.5 -2.3 32.0 18.8 40 41 A G E -CD 29 210A 9 170,-2.7 170,-2.7 -2,-0.4 2,-0.6 -0.994 8.3-158.9-123.0 132.8 1.3 30.7 18.6 41 42 A R E -CD 28 209A 78 -13,-2.8 -13,-1.8 -2,-0.4 2,-0.4 -0.969 23.4-164.9-108.5 121.7 3.7 31.5 15.7 42 43 A I E -CD 27 208A 1 166,-3.5 166,-2.1 -2,-0.6 2,-0.4 -0.850 14.7-166.2-118.9 135.6 6.4 28.8 15.7 43 44 A K E -CD 26 207A 125 -17,-2.8 -17,-2.2 -2,-0.4 2,-0.8 -0.976 20.9-139.2-116.7 134.3 9.8 28.5 14.1 44 45 A V E +C 25 0A 17 162,-2.6 -19,-0.3 -2,-0.4 4,-0.1 -0.845 29.0 176.1 -80.9 111.0 11.9 25.5 13.8 45 46 A V E + 0 0 71 -21,-1.5 2,-0.3 -2,-0.8 -20,-0.2 0.433 62.1 27.4-105.7 -2.5 15.3 27.1 14.5 46 47 A E E S+C 24 0A 90 -22,-1.4 -22,-2.0 -3,-0.1 -1,-0.2 -0.942 118.3 21.1-154.4 139.5 17.5 24.0 14.5 47 48 A G S S- 0 0 33 -2,-0.3 -2,-0.1 1,-0.3 -22,-0.0 0.592 88.4-167.9 83.3 11.0 17.1 20.7 12.7 48 49 A G + 0 0 43 -4,-0.1 -1,-0.3 1,-0.1 2,-0.1 -0.595 59.7 44.4 -83.9 147.6 14.8 22.0 10.0 49 50 A P S S- 0 0 73 0, 0.0 -1,-0.1 0, 0.0 156,-0.1 0.489 86.4-141.5 -78.5 142.8 13.1 20.7 8.0 50 51 A L - 0 0 6 154,-0.3 4,-0.1 1,-0.1 -2,-0.1 -0.397 5.0-140.0 -63.3 142.1 11.8 18.1 10.4 51 52 A P S S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.356 81.6 63.1 -86.2 5.7 11.5 14.6 8.9 52 53 A F S S- 0 0 0 79,-0.1 2,-0.2 80,-0.1 78,-0.2 -0.834 100.7 -78.5-127.7 165.6 8.2 14.0 10.8 53 54 A A > - 0 0 0 76,-1.6 3,-1.7 -2,-0.3 4,-0.2 -0.436 31.0-141.6 -65.7 128.5 4.8 15.6 10.9 54 55 A F G >> S+ 0 0 0 1,-0.3 3,-2.6 -2,-0.2 4,-0.5 0.794 92.1 82.6 -60.8 -26.6 4.8 18.8 12.9 55 56 A D G >4 S+ 0 0 7 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.788 78.8 64.1 -47.5 -34.3 1.3 17.8 14.2 56 57 A I G <4 S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.652 104.2 48.1 -70.9 -11.5 2.9 15.5 16.8 57 58 A L G X> S+ 0 0 0 -3,-2.6 3,-2.2 -4,-0.2 4,-0.5 0.493 83.2 97.9 -96.0 -9.0 4.4 18.7 18.5 58 59 A A G X< S+ 0 0 2 -3,-1.1 3,-1.2 -4,-0.5 -2,-0.1 0.847 79.8 50.9 -55.9 -44.7 1.2 20.7 18.4 59 60 A T G 34 S+ 0 0 32 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.449 98.8 68.7 -75.4 1.7 0.2 20.0 22.1 60 61 A C G <4 0 0 2 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.653 360.0 360.0 -87.7 -14.1 3.7 21.1 23.3 61 62 A F << 0 0 18 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.1 0.641 360.0 360.0 -94.8 360.0 3.2 24.7 22.4 62 ! 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 63 66 A S > 0 0 13 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 66.2 -0.3 26.6 27.2 64 67 A K T 3 + 0 0 3 1,-0.3 3,-0.4 2,-0.1 13,-0.2 0.564 360.0 75.5 -72.0 -14.6 -2.7 25.9 30.1 65 68 A T T 3 S+ 0 0 0 1,-0.2 2,-0.8 12,-0.1 -1,-0.3 0.741 87.3 67.2 -67.3 -23.2 -3.1 29.5 31.3 66 69 A F S < S+ 0 0 0 -3,-1.6 2,-0.4 -30,-0.1 -1,-0.2 -0.475 71.3 115.4 -99.1 58.3 -5.3 30.2 28.3 67 70 A I - 0 0 0 -2,-0.8 2,-1.0 -3,-0.4 -31,-0.2 -0.999 68.2-125.9-120.4 131.9 -8.3 28.0 29.2 68 71 A N B +e 215 0A 41 146,-2.6 148,-2.8 -2,-0.4 -34,-0.1 -0.693 32.3 173.4 -76.9 102.4 -11.6 29.7 29.9 69 72 A H > - 0 0 5 -2,-1.0 4,-1.7 1,-0.2 3,-0.2 0.310 32.8-141.0 -93.2 9.3 -12.5 28.4 33.4 70 73 A T T 4 - 0 0 65 -36,-0.4 -1,-0.2 1,-0.2 3,-0.2 -0.005 39.8 -74.2 54.6-172.7 -15.5 30.6 33.7 71 74 A Q T 4 S+ 0 0 187 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.529 128.5 64.9 -90.5 -3.4 -16.0 32.1 37.1 72 75 A G T 4 S+ 0 0 53 -3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.622 86.7 65.0 -96.3 -18.7 -17.3 28.7 38.3 73 76 A I S < S- 0 0 9 -4,-1.7 -1,-0.1 -3,-0.2 143,-0.1 -0.934 85.7-117.5-112.5 120.6 -14.3 26.4 38.1 74 77 A P - 0 0 16 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.327 29.7-133.4 -56.9 135.7 -11.2 27.0 40.3 75 78 A D > - 0 0 20 1,-0.2 4,-2.3 111,-0.1 5,-0.2 -0.806 22.2-174.6-105.6 98.9 -8.3 27.7 38.0 76 79 A F T 4 S+ 0 0 0 -2,-0.9 4,-0.4 1,-0.2 -1,-0.2 0.823 85.2 47.2 -58.7 -34.5 -5.3 25.7 39.1 77 80 A F T >4 S+ 0 0 0 2,-0.2 3,-1.1 -13,-0.2 4,-0.3 0.947 112.4 42.8 -81.0 -50.5 -3.2 27.3 36.4 78 81 A K G >4 S+ 0 0 2 1,-0.3 3,-1.1 -14,-0.2 -75,-0.2 0.873 112.1 57.5 -65.8 -34.0 -4.0 31.0 36.8 79 82 A Q G 3< S+ 0 0 20 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.691 92.1 71.8 -64.5 -20.1 -3.8 30.6 40.6 80 83 A S G X> S+ 0 0 0 -3,-1.1 4,-1.8 -4,-0.4 3,-0.6 0.639 82.2 139.5 -77.5 -14.2 -0.3 29.4 40.4 81 84 A F T <4 + 0 0 2 -3,-1.1 -79,-0.1 -4,-0.3 -78,-0.1 -0.448 50.2 27.8 -82.0 154.3 1.2 32.7 39.5 82 85 A P T 34 S+ 0 0 75 0, 0.0 25,-0.5 0, 0.0 -1,-0.3 -0.984 131.2 42.9 -75.3 -12.9 3.5 34.4 40.0 83 86 A E T <4 S- 0 0 77 -3,-0.6 -2,-0.3 1,-0.2 2,-0.2 0.867 96.5-156.6 -64.0 -40.1 5.4 31.2 40.7 84 87 A G < - 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