==== 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 4KGE . 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 . 443 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 46.0 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 . 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 . 39 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.0 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 . 5 1.1 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 . 0 2 0 0 0 0 0 0 1 1 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 0 170 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-173.5 -13.5 12.7 -3.9 2 4 A L + 0 0 75 1,-0.2 2,-0.9 78,-0.1 75,-0.0 0.893 360.0 51.3 -73.0 -42.9 -14.5 16.3 -4.8 3 5 A I S S- 0 0 3 74,-0.1 -1,-0.2 77,-0.1 4,-0.1 -0.852 85.6-161.5-100.2 102.1 -11.9 17.8 -2.4 4 6 A K - 0 0 125 -2,-0.9 29,-0.2 2,-0.2 3,-0.1 -0.190 34.8-103.1 -76.5 170.5 -8.6 16.1 -3.3 5 7 A E S S+ 0 0 124 1,-0.2 2,-0.4 26,-0.1 28,-0.3 0.761 116.7 39.8 -70.7 -21.0 -5.6 16.0 -1.1 6 8 A N S S+ 0 0 90 25,-0.2 2,-0.4 26,-0.1 -2,-0.2 -0.999 77.3 178.8-122.0 127.0 -4.1 18.7 -3.3 7 9 A M E -A 30 0A 8 23,-2.1 23,-1.7 -2,-0.4 2,-0.2 -0.985 16.6-145.8-129.1 142.5 -6.4 21.5 -4.6 8 10 A H E -Ab 29 110A 116 101,-0.5 103,-2.2 -2,-0.4 2,-0.3 -0.676 16.5-161.4 -97.0 157.1 -5.8 24.6 -6.8 9 11 A M E -Ab 28 111A 2 19,-2.5 19,-2.0 -2,-0.2 2,-0.4 -0.985 13.1-166.1-140.8 150.7 -7.5 27.9 -6.5 10 12 A K E -Ab 27 112A 99 101,-2.1 103,-2.9 -2,-0.3 2,-0.4 -0.994 15.5-165.7-131.6 139.4 -8.1 31.1 -8.5 11 13 A L E -Ab 26 113A 1 15,-2.8 15,-2.0 -2,-0.4 2,-0.4 -0.970 13.6-168.7-132.6 143.3 -9.4 34.3 -7.1 12 14 A Y E -Ab 25 114A 113 101,-2.2 103,-2.7 -2,-0.4 2,-0.4 -0.995 15.3-179.1-125.2 133.4 -10.9 37.6 -8.4 13 15 A M E +Ab 24 115A 6 11,-2.5 11,-2.1 -2,-0.4 2,-0.4 -0.997 7.0 174.1-139.8 133.8 -11.3 40.6 -6.1 14 16 A E E +Ab 23 116A 60 101,-2.1 103,-2.0 -2,-0.4 2,-0.3 -0.998 20.0 122.0-137.3 144.7 -12.7 44.0 -6.6 15 17 A G E -Ab 22 117A 0 7,-2.1 7,-2.2 -2,-0.4 2,-0.4 -0.978 44.6-111.0-173.2-172.0 -13.3 46.9 -4.2 16 18 A T E -Ab 21 118A 27 101,-1.9 103,-2.8 -2,-0.3 2,-0.5 -0.993 14.5-165.6-141.2 135.7 -13.0 50.3 -2.8 17 19 A V E > S-Ab 20 119A 0 3,-1.8 3,-2.7 -2,-0.4 2,-0.9 -0.995 78.0 -36.0-124.0 124.2 -11.3 51.4 0.3 18 20 A N T 3 S- 0 0 49 101,-2.5 -2,-0.0 -2,-0.5 101,-0.0 -0.562 129.6 -33.0 58.4-101.2 -12.2 54.9 1.3 19 21 A N T 3 S+ 0 0 152 -2,-0.9 2,-0.7 2,-0.0 -1,-0.3 0.138 112.1 110.3-127.7 18.3 -12.4 56.3 -2.3 20 22 A H E < -A 17 0A 52 -3,-2.7 -3,-1.8 2,-0.0 2,-0.2 -0.859 53.4-153.2-103.5 115.4 -9.6 54.1 -4.0 21 23 A H E +A 16 0A 70 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.570 24.2 163.1 -82.4 143.2 -10.9 51.5 -6.4 22 24 A F E -A 15 0A 0 -7,-2.2 -7,-2.1 -2,-0.2 2,-0.3 -0.978 26.3-150.8-153.0 162.8 -8.7 48.4 -7.0 23 25 A K E -AC 14 45A 83 22,-1.9 21,-2.2 -2,-0.3 22,-1.5 -0.996 11.7-174.4-133.9 142.3 -8.7 44.9 -8.4 24 26 A C E -AC 13 43A 1 -11,-2.1 -11,-2.5 -2,-0.3 2,-0.3 -0.965 3.1-168.3-125.3 152.5 -6.6 41.9 -7.4 25 27 A T E -AC 12 42A 45 17,-2.1 17,-2.9 -2,-0.3 2,-0.3 -0.909 11.2-179.5-125.1 160.2 -6.3 38.4 -8.8 26 28 A S E -AC 11 41A 10 -15,-2.0 -15,-2.8 -2,-0.3 2,-0.3 -0.992 15.4-167.3-154.5 157.1 -4.6 35.4 -7.4 27 29 A E E +AC 10 40A 85 13,-1.6 13,-3.1 -2,-0.3 2,-0.3 -0.978 26.2 132.4-136.4 151.7 -3.8 31.7 -7.9 28 30 A G E -AC 9 39A 1 -19,-2.0 -19,-2.5 -2,-0.3 2,-0.3 -0.948 33.3-131.0-170.1-166.5 -2.5 29.1 -5.6 29 31 A E E +AC 8 38A 61 9,-1.3 9,-2.3 -2,-0.3 2,-0.3 -0.954 21.5 166.6-156.2 163.5 -2.7 25.6 -4.1 30 32 A G E -AC 7 37A 10 -23,-1.7 -23,-2.1 -2,-0.3 7,-0.3 -0.972 42.8 -94.4-168.3 179.8 -2.8 23.8 -0.8 31 33 A K E >>> - C 0 36A 75 5,-2.2 4,-1.5 -2,-0.3 5,-1.4 -0.878 31.4-166.8-109.9 95.8 -3.5 20.7 1.2 32 34 A P T 345S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -27,-0.1 0.808 87.4 45.2 -57.8 -33.1 -7.1 20.9 2.3 33 35 A Y T 345S+ 0 0 101 -28,-0.3 -28,-0.1 1,-0.2 -27,-0.1 0.658 114.4 48.6 -85.3 -17.3 -6.9 18.1 4.8 34 36 A E T <45S- 0 0 111 -3,-1.0 33,-0.2 -29,-0.2 -1,-0.2 0.581 108.6-125.9 -92.2 -11.5 -3.6 19.3 6.2 35 37 A G T <5 + 0 0 0 -4,-1.5 178,-2.6 1,-0.3 2,-0.4 0.803 66.4 124.6 72.7 31.1 -5.0 22.9 6.6 36 38 A T E < +CD 31 212A 36 -5,-1.4 -5,-2.2 176,-0.2 2,-0.3 -0.947 28.2 160.9-123.2 145.1 -2.2 24.6 4.6 37 39 A Q E -CD 30 211A 8 174,-1.7 174,-2.2 -2,-0.4 2,-0.4 -0.989 20.5-155.3-157.9 157.9 -2.4 26.8 1.5 38 40 A T E -CD 29 210A 18 -9,-2.3 -9,-1.3 -2,-0.3 2,-0.4 -0.995 7.5-170.2-136.0 138.6 -0.5 29.4 -0.5 39 41 A Q E -CD 28 209A 7 170,-2.5 170,-2.6 -2,-0.4 2,-0.7 -0.999 15.0-149.8-130.2 135.5 -1.8 32.2 -2.8 40 42 A R E -CD 27 208A 50 -13,-3.1 -13,-1.6 -2,-0.4 2,-0.4 -0.927 28.0-163.5-101.1 114.9 0.3 34.3 -5.1 41 43 A I E -CD 26 207A 0 166,-3.2 166,-2.3 -2,-0.7 2,-0.4 -0.853 11.7-169.5-113.2 133.2 -1.6 37.6 -5.2 42 44 A K E -CD 25 206A 118 -17,-2.9 -17,-2.1 -2,-0.4 2,-0.7 -0.962 22.6-137.2-119.8 135.6 -1.3 40.4 -7.8 43 45 A V E +C 24 0A 17 162,-2.7 -19,-0.3 -2,-0.4 3,-0.1 -0.829 30.4 173.2 -81.4 116.7 -2.7 43.9 -7.6 44 46 A V E + 0 0 80 -21,-2.2 2,-0.3 -2,-0.7 -20,-0.2 0.495 59.4 30.6-108.5 -6.4 -4.0 44.3 -11.2 45 47 A E E S+C 23 0A 86 -22,-1.5 -22,-1.9 1,-0.0 -1,-0.2 -0.973 117.3 14.8-152.8 139.0 -5.8 47.6 -11.1 46 48 A G S S- 0 0 22 -2,-0.3 -2,-0.0 -24,-0.2 -3,-0.0 0.596 92.5-166.6 76.1 13.1 -5.4 50.7 -9.0 47 49 A G + 0 0 44 2,-0.1 -1,-0.2 -24,-0.1 2,-0.1 -0.391 58.2 47.9 -81.9 160.1 -1.9 49.8 -7.8 48 50 A P S S- 0 0 69 0, 0.0 156,-0.1 0, 0.0 155,-0.1 0.644 90.2-132.2 -69.7 143.6 0.2 50.6 -5.8 49 51 A L - 0 0 6 154,-0.3 4,-0.1 1,-0.1 -2,-0.1 -0.391 3.4-144.6 -66.5 135.6 -2.6 50.5 -3.2 50 52 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.255 81.1 63.1 -85.6 17.1 -2.5 53.6 -1.0 51 53 A F S S- 0 0 0 79,-0.1 78,-0.2 80,-0.1 77,-0.1 -0.959 102.4 -79.8-135.9 152.4 -3.6 51.5 2.0 52 54 A A > - 0 0 1 76,-2.5 3,-1.4 -2,-0.3 4,-0.2 -0.277 30.0-141.9 -52.4 126.1 -1.9 48.6 3.9 53 55 A F G > S+ 0 0 1 1,-0.3 3,-2.7 2,-0.2 4,-0.5 0.820 93.2 82.0 -59.5 -32.3 -2.4 45.3 2.0 54 56 A D G > S+ 0 0 6 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.779 79.0 64.6 -40.2 -38.4 -2.9 43.7 5.5 55 57 A I G < S+ 0 0 4 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.685 106.2 44.0 -68.4 -13.3 -6.6 44.9 5.6 56 58 A L G X S+ 0 0 0 -3,-2.7 3,-1.8 -4,-0.2 4,-0.5 0.522 87.2 94.1 -99.3 -11.7 -7.3 42.6 2.6 57 59 A A G X S+ 0 0 4 -3,-1.3 3,-0.9 -4,-0.5 -2,-0.1 0.797 82.9 49.0 -63.8 -37.5 -5.4 39.6 3.8 58 60 A T G 3 S+ 0 0 33 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.462 102.5 66.6 -78.5 -5.0 -8.3 37.7 5.5 59 61 A S G < 0 0 1 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.611 360.0 360.0 -89.2 -13.9 -10.4 38.2 2.4 60 62 A F < 0 0 7 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.1 0.788 360.0 360.0 -84.8 360.0 -8.2 35.9 0.3 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 11 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 71.1 -10.3 30.3 1.9 63 67 A K G > + 0 0 11 1,-0.3 3,-0.5 2,-0.1 13,-0.2 0.599 360.0 76.8 -72.7 -17.9 -12.2 28.0 4.3 64 68 A T G 3 S+ 0 0 0 1,-0.3 2,-0.5 12,-0.1 -1,-0.3 0.714 85.8 69.3 -65.3 -19.2 -11.9 24.7 2.4 65 69 A F G < + 0 0 1 -3,-1.4 2,-0.5 -30,-0.1 148,-0.3 -0.304 69.3 118.0-100.7 50.6 -8.3 24.5 3.7 66 70 A I < - 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