==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLUORESCENT PROTEIN 29-APR-13 4KGF . COMPND 2 MOLECULE: TAGRFP675, RED FLUORESCENT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR V.N.MALASHKEVICH,K.PIATKEVICH,S.C ALMO,V.VERKHUSHA,NEW YORK . 441 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 46.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 1 0.2 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 . 41 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 . 0 2 0 0 0 0 0 0 0 2 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 2 0 0 4 0 2 2 4 2 6 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 2 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 E 0 0 171 0, 0.0 3,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-163.2 -13.4 13.0 -4.2 2 4 A L + 0 0 77 1,-0.3 2,-0.6 78,-0.1 107,-0.1 0.790 360.0 42.2 -77.0 -30.9 -15.0 16.4 -5.1 3 5 A I S S- 0 0 1 77,-0.1 -1,-0.3 4,-0.0 4,-0.1 -0.957 94.1-153.7-110.6 105.8 -12.4 18.3 -3.1 4 6 A K - 0 0 107 -2,-0.6 29,-0.2 2,-0.2 -2,-0.1 -0.230 30.4-101.3 -76.6 169.1 -9.1 16.5 -3.9 5 7 A E S S+ 0 0 136 1,-0.2 2,-0.4 26,-0.1 29,-0.2 0.760 117.3 38.4 -61.6 -26.2 -6.0 16.3 -1.8 6 8 A N S S+ 0 0 98 25,-0.2 2,-0.4 26,-0.1 -2,-0.2 -0.997 76.3 176.7-125.5 125.2 -4.6 19.0 -4.0 7 9 A M E -A 30 0A 2 23,-1.8 23,-1.5 -2,-0.4 2,-0.2 -0.986 17.7-145.2-129.8 140.1 -6.8 21.8 -5.3 8 10 A H E -Ab 29 110A 118 101,-0.6 103,-2.6 -2,-0.4 2,-0.3 -0.641 16.2-161.6 -93.4 157.3 -6.0 24.9 -7.4 9 11 A M E -Ab 28 111A 1 19,-2.4 19,-2.2 -2,-0.2 2,-0.4 -0.990 12.3-166.3-138.7 150.7 -7.7 28.3 -7.0 10 12 A K E -Ab 27 112A 104 101,-2.5 103,-2.5 -2,-0.3 2,-0.4 -0.992 15.9-165.4-129.6 139.9 -8.2 31.5 -9.0 11 13 A L E -Ab 26 113A 1 15,-3.0 15,-2.3 -2,-0.4 2,-0.4 -0.979 14.4-169.8-132.0 143.7 -9.5 34.7 -7.4 12 14 A Y E +Ab 25 114A 115 101,-2.2 103,-2.3 -2,-0.4 2,-0.4 -0.996 16.2 179.9-126.2 131.1 -10.9 38.0 -8.7 13 15 A M E +Ab 24 115A 5 11,-2.7 11,-1.9 -2,-0.4 2,-0.3 -0.993 6.7 174.5-136.5 140.6 -11.3 40.9 -6.3 14 16 A E E +Ab 23 116A 61 101,-1.9 103,-1.8 -2,-0.4 2,-0.3 -0.996 19.1 122.2-144.7 144.4 -12.6 44.4 -6.7 15 17 A G E -Ab 22 117A 0 7,-2.0 7,-2.1 -2,-0.3 2,-0.3 -0.956 44.8-109.5-173.9-168.6 -13.3 47.1 -4.3 16 18 A T E -Ab 21 118A 27 101,-1.6 103,-2.9 -2,-0.3 2,-0.5 -0.986 15.0-161.3-144.9 135.7 -12.8 50.6 -2.9 17 19 A V E > S-Ab 20 119A 0 3,-2.0 3,-2.6 -2,-0.3 2,-1.2 -0.993 78.8 -35.0-126.0 126.8 -11.1 51.6 0.3 18 20 A N T 3 S- 0 0 41 101,-2.3 -2,-0.0 -2,-0.5 101,-0.0 -0.610 129.0 -36.7 57.0 -97.3 -12.0 55.0 1.4 19 21 A N T 3 S+ 0 0 141 -2,-1.2 2,-0.6 2,-0.1 -1,-0.3 0.074 111.5 109.9-138.9 16.4 -12.3 56.3 -2.2 20 22 A H E < -A 17 0A 56 -3,-2.6 -3,-2.0 2,-0.0 2,-0.2 -0.905 55.6-151.1-100.8 117.3 -9.5 54.4 -4.0 21 23 A H E +A 16 0A 75 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.576 23.9 164.4 -83.7 146.6 -10.7 51.8 -6.4 22 24 A F E -A 15 0A 0 -7,-2.1 -7,-2.0 -2,-0.2 2,-0.3 -0.981 25.1-151.3-153.4 162.9 -8.6 48.7 -7.1 23 25 A K E -AC 14 45A 78 22,-1.8 21,-2.5 -2,-0.3 22,-1.9 -0.991 12.4-175.8-133.5 143.1 -8.6 45.2 -8.5 24 26 A C E -AC 13 43A 1 -11,-1.9 -11,-2.7 -2,-0.3 2,-0.3 -0.956 3.4-168.0-126.3 153.9 -6.5 42.2 -7.6 25 27 A T E -AC 12 42A 46 17,-1.9 17,-2.6 -2,-0.3 2,-0.3 -0.894 10.4-176.6-127.3 164.2 -6.4 38.8 -9.1 26 28 A S E -AC 11 41A 9 -15,-2.3 -15,-3.0 -2,-0.3 2,-0.3 -0.994 16.9-164.0-160.8 162.8 -4.7 35.7 -7.8 27 29 A E E +AC 10 40A 89 13,-1.6 13,-2.8 -2,-0.3 2,-0.3 -0.983 29.3 129.7-145.1 140.5 -3.9 32.1 -8.4 28 30 A G E -AC 9 39A 0 -19,-2.2 -19,-2.4 -2,-0.3 2,-0.3 -0.950 31.9-135.7-168.2-166.9 -2.7 29.4 -6.0 29 31 A E E +AC 8 38A 51 9,-1.3 9,-2.6 -2,-0.3 2,-0.3 -0.972 18.9 161.0-159.7 167.1 -3.0 25.9 -4.5 30 32 A G E -AC 7 37A 9 -23,-1.5 -23,-1.8 -2,-0.3 7,-0.3 -0.971 45.4 -87.7-172.6-177.2 -3.1 24.0 -1.2 31 33 A K E >>> - C 0 36A 64 5,-1.5 4,-1.7 -2,-0.3 3,-1.3 -0.864 31.6-164.8-113.8 94.9 -4.0 20.8 0.7 32 34 A P T 345S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -27,-0.1 0.789 89.5 44.8 -50.8 -39.3 -7.6 21.3 1.8 33 35 A Y T 345S+ 0 0 93 -28,-0.2 -28,-0.1 1,-0.2 32,-0.1 0.660 114.1 49.7 -82.4 -17.8 -7.4 18.3 4.3 34 36 A E T <45S- 0 0 102 -3,-1.3 33,-0.3 -29,-0.2 -1,-0.2 0.622 108.8-126.7 -90.2 -16.8 -4.0 19.5 5.6 35 37 A G T <5 + 0 0 0 -4,-1.7 178,-3.2 1,-0.3 2,-0.3 0.776 65.8 122.7 80.2 29.3 -5.3 23.0 6.1 36 38 A T E < +CD 31 212A 32 -5,-1.3 -5,-1.5 176,-0.2 -1,-0.3 -0.904 28.5 159.3-125.2 150.0 -2.5 24.7 4.1 37 39 A Q E -CD 30 211A 8 174,-1.4 174,-2.5 -2,-0.3 2,-0.4 -0.972 20.9-153.8-166.3 155.0 -2.6 27.0 1.1 38 40 A T E -CD 29 210A 21 -9,-2.6 -9,-1.3 -2,-0.3 2,-0.4 -0.970 8.6-170.1-131.4 144.2 -0.6 29.6 -0.9 39 41 A Q E -CD 28 209A 5 170,-2.2 170,-2.8 -2,-0.4 2,-0.6 -0.995 15.6-149.0-136.4 136.3 -1.8 32.4 -3.2 40 42 A R E -CD 27 208A 49 -13,-2.8 -13,-1.6 -2,-0.4 2,-0.4 -0.921 27.8-165.2-100.2 117.7 0.2 34.6 -5.5 41 43 A I E -CD 26 207A 0 166,-3.0 166,-2.3 -2,-0.6 2,-0.4 -0.879 10.8-169.5-118.2 131.1 -1.7 37.9 -5.6 42 44 A K E -CD 25 206A 110 -17,-2.6 -17,-1.9 -2,-0.4 2,-0.7 -0.960 23.3-134.1-119.8 138.4 -1.2 40.8 -8.0 43 45 A V E +C 24 0A 20 162,-2.6 -19,-0.3 -2,-0.4 3,-0.1 -0.831 31.2 173.5 -83.3 119.9 -2.6 44.3 -7.8 44 46 A V E + 0 0 85 -21,-2.5 2,-0.3 -2,-0.7 -20,-0.2 0.591 59.7 27.0-112.0 -15.7 -4.0 44.7 -11.3 45 47 A E E S+C 23 0A 90 -22,-1.9 -22,-1.8 1,-0.0 -1,-0.3 -0.989 118.0 19.8-146.7 141.2 -5.8 48.0 -11.1 46 48 A G S S- 0 0 27 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.605 92.4-165.7 81.2 10.6 -5.3 51.1 -8.9 47 49 A G + 0 0 44 2,-0.1 -1,-0.3 -24,-0.1 2,-0.1 -0.443 59.9 44.9 -77.6 154.1 -1.7 50.1 -7.9 48 50 A P S S- 0 0 80 0, 0.0 156,-0.1 0, 0.0 -1,-0.1 0.607 90.3-133.0 -77.0 145.7 0.2 50.8 -6.0 49 51 A L - 0 0 6 154,-0.3 4,-0.1 1,-0.1 -2,-0.1 -0.338 3.4-146.5 -64.0 135.7 -2.4 50.7 -3.3 50 52 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.248 79.4 60.9 -89.5 19.9 -2.3 53.8 -1.0 51 53 A F S S- 0 0 0 79,-0.1 78,-0.2 80,-0.1 77,-0.1 -0.961 103.3 -74.8-137.4 156.2 -3.3 51.7 2.0 52 54 A A > - 0 0 1 76,-2.6 3,-1.6 -2,-0.3 4,-0.3 -0.237 30.4-143.1 -51.9 126.1 -1.8 48.7 3.8 53 55 A F G >> S+ 0 0 0 1,-0.3 3,-2.6 2,-0.2 4,-0.6 0.852 93.8 81.4 -58.8 -31.7 -2.3 45.4 1.8 54 56 A D G >4 S+ 0 0 6 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.755 79.6 62.9 -42.2 -37.7 -2.8 43.9 5.3 55 57 A I G <4 S+ 0 0 4 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.710 106.7 45.2 -69.9 -16.6 -6.5 45.0 5.4 56 58 A L G X> S+ 0 0 0 -3,-2.6 3,-2.1 -4,-0.3 4,-0.5 0.567 88.0 94.5 -91.0 -12.1 -7.3 42.8 2.4 57 59 A A G X< S+ 0 0 3 -3,-1.1 3,-0.9 -4,-0.6 -2,-0.1 0.797 82.0 47.7 -63.3 -39.1 -5.4 39.8 3.6 58 60 A T G 34 S+ 0 0 37 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.410 102.6 68.4 -81.2 -0.6 -8.3 37.9 5.2 59 61 A S G <4 0 0 1 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.665 360.0 360.0 -87.8 -18.8 -10.4 38.5 2.1 60 62 A F << 0 0 7 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.1 0.751 360.0 360.0 -85.2 360.0 -8.3 36.2 -0.1 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 13 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 68.1 -10.5 30.6 1.4 63 67 A K G > + 0 0 13 1,-0.3 3,-0.5 2,-0.1 13,-0.2 0.678 360.0 75.3 -69.8 -19.8 -12.5 28.4 3.8 64 68 A T G 3 S+ 0 0 0 1,-0.3 2,-0.5 12,-0.1 -1,-0.3 0.716 86.6 70.0 -64.5 -19.5 -12.2 25.0 2.0 65 69 A F G < + 0 0 0 -3,-1.5 2,-0.5 -30,-0.1 148,-0.3 -0.266 68.5 117.4 -97.8 47.9 -8.6 24.8 3.2 66 70 A I < - 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