==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLUORESCENT PROTEIN 08-OCT-09 3A8S . COMPND 2 MOLECULE: KILLERRED; . SOURCE 2 ORGANISM_SCIENTIFIC: ANTHOMEDUSAE; . AUTHOR N.SAKAI,Y.KITAGO,K.TAKEMOTO,T.MATSUDA,T.NAGAI . 440 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 42.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.4 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-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 . 63 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 4 1 3 1 2 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 1 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 7 A L 0 0 128 0, 0.0 3,-0.1 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0 -19.6 104.2 36.9 -10.8 2 8 A F + 0 0 10 1,-0.1 31,-0.1 4,-0.0 4,-0.1 -0.020 360.0 115.7-119.5 25.2 103.9 35.2 -7.4 3 9 A Q + 0 0 138 28,-0.1 2,-0.3 29,-0.1 28,-0.1 0.374 68.6 54.8 -79.9 5.6 104.2 31.7 -9.0 4 10 A S S S- 0 0 65 -3,-0.1 25,-0.1 1,-0.1 29,-0.0 -0.956 99.4 -75.1-140.0 154.7 107.5 31.0 -7.2 5 11 A D - 0 0 85 -2,-0.3 2,-0.3 26,-0.1 25,-0.2 -0.092 61.1-172.0 -38.8 145.3 109.0 30.8 -3.8 6 12 A M E -A 29 0A 5 23,-1.0 23,-2.2 -4,-0.1 2,-0.3 -0.897 19.4-143.1-145.8 173.7 109.6 34.3 -2.6 7 13 A T E -Ab 28 108A 59 100,-2.2 102,-2.5 -2,-0.3 2,-0.3 -0.909 10.1-167.3-138.2 162.0 111.2 36.5 0.1 8 14 A F E -Ab 27 109A 1 19,-1.9 19,-1.7 -2,-0.3 2,-0.4 -0.997 10.7-152.5-151.8 150.8 110.5 39.8 1.9 9 15 A K E -Ab 26 110A 99 100,-1.4 102,-2.3 -2,-0.3 2,-0.5 -0.991 12.4-156.9-124.1 135.0 112.1 42.3 4.2 10 16 A I E -Ab 25 111A 1 15,-4.4 15,-2.1 -2,-0.4 2,-0.6 -0.951 6.6-172.0-113.9 124.4 110.2 44.4 6.7 11 17 A F E -Ab 24 112A 70 100,-2.5 102,-3.1 -2,-0.5 2,-0.6 -0.953 9.9-172.5-113.7 114.1 111.5 47.7 8.0 12 18 A I E -Ab 23 113A 6 11,-3.3 11,-2.4 -2,-0.6 2,-0.7 -0.918 12.8-174.9-114.1 117.4 109.4 49.1 10.9 13 19 A D E +Ab 22 114A 85 100,-3.6 102,-1.2 -2,-0.6 2,-0.2 -0.875 32.0 153.2-107.9 97.8 110.0 52.6 12.3 14 20 A G E -Ab 21 115A 4 7,-2.1 7,-2.8 -2,-0.7 2,-0.3 -0.655 31.7-156.4-126.2 176.9 107.7 52.9 15.3 15 21 A E E -Ab 20 116A 28 100,-1.7 102,-2.0 5,-0.3 2,-0.4 -0.989 5.8-153.7-154.1 146.6 107.0 54.5 18.6 16 22 A V E > S-Ab 19 117A 6 3,-3.5 3,-2.1 -2,-0.3 102,-0.2 -0.949 78.4 -25.3-131.7 114.3 105.0 53.7 21.7 17 23 A N T 3 S- 0 0 77 100,-2.6 101,-0.1 -2,-0.4 -1,-0.1 0.846 129.6 -47.7 53.8 34.4 103.7 56.4 24.1 18 24 A G T 3 S+ 0 0 60 1,-0.3 2,-0.5 99,-0.2 -1,-0.3 0.006 115.1 116.7 97.8 -27.5 106.5 58.6 22.9 19 25 A Q E < -A 16 0A 122 -3,-2.1 -3,-3.5 29,-0.1 -1,-0.3 -0.648 61.1-135.0 -80.4 122.9 109.3 56.0 23.2 20 26 A K E +A 15 0A 164 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.380 28.4 169.4 -77.1 152.2 110.8 55.1 19.9 21 27 A F E -A 14 0A 2 -7,-2.8 -7,-2.1 -2,-0.1 2,-0.3 -0.968 13.6-158.6-156.9 149.8 111.5 51.6 18.7 22 28 A T E -A 13 0A 41 -2,-0.3 21,-1.1 -9,-0.2 22,-0.9 -0.958 4.5-166.4-133.7 152.7 112.6 50.0 15.4 23 29 A I E -AC 12 42A 2 -11,-2.4 -11,-3.3 -2,-0.3 2,-0.4 -0.997 7.0-166.1-142.8 134.6 112.3 46.5 13.9 24 30 A V E +AC 11 41A 30 17,-2.0 17,-3.0 -2,-0.4 2,-0.3 -0.953 21.3 161.9-115.8 140.9 113.8 44.7 11.0 25 31 A A E +AC 10 40A 5 -15,-2.1 -15,-4.4 -2,-0.4 2,-0.3 -0.989 11.1 176.9-152.5 156.0 112.4 41.4 9.8 26 32 A D E +AC 9 39A 87 13,-1.8 13,-2.3 -2,-0.3 2,-0.3 -0.976 8.1 152.4-155.1 167.3 112.5 39.1 6.8 27 33 A G E -AC 8 38A 8 -19,-1.7 -19,-1.9 -2,-0.3 2,-0.3 -0.962 30.9-100.1-174.6-172.1 111.2 35.7 5.7 28 34 A S E -AC 7 37A 63 9,-0.7 9,-1.2 -2,-0.3 2,-0.4 -0.899 11.6-151.6-131.9 157.7 110.1 33.4 2.8 29 35 A S E -A 6 0A 0 -23,-2.2 -23,-1.0 -2,-0.3 7,-0.1 -0.861 16.7-145.5-135.4 101.4 106.9 32.2 1.3 30 36 A K - 0 0 138 5,-0.4 5,-0.3 -2,-0.4 -26,-0.1 -0.207 41.0 -76.1 -54.6 150.2 106.9 28.8 -0.4 31 37 A F S S+ 0 0 94 -28,-0.1 2,-0.2 2,-0.1 -26,-0.1 -0.827 119.3 40.2 -97.3 139.8 104.6 28.4 -3.4 32 38 A P S S- 0 0 58 0, 0.0 3,-0.1 0, 0.0 33,-0.1 0.727 98.2-149.2 -66.6 179.4 101.8 28.1 -3.3 33 39 A H + 0 0 13 -2,-0.2 31,-0.2 1,-0.1 32,-0.1 0.030 61.5 98.7-100.4-152.7 101.6 30.7 -0.5 34 40 A G S S+ 0 0 5 29,-3.0 178,-0.9 30,-0.1 30,-0.2 0.652 84.5 71.2 80.2 15.8 99.2 31.3 2.4 35 41 A D E + D 0 211A 69 28,-0.3 -5,-0.4 -5,-0.3 2,-0.3 -0.522 65.6 134.9-160.9 89.0 101.7 29.6 4.8 36 42 A F E - D 0 210A 7 174,-2.1 174,-2.1 -7,-0.1 2,-0.3 -0.863 37.6-132.5-139.6 167.8 104.9 31.5 5.6 37 43 A N E -CD 28 209A 66 -9,-1.2 -9,-0.7 -2,-0.3 2,-0.3 -0.859 10.5-162.2-124.3 156.0 107.2 32.6 8.3 38 44 A V E -CD 27 208A 4 170,-1.6 170,-2.3 -2,-0.3 2,-0.5 -0.985 7.6-155.1-137.8 148.6 108.9 35.8 9.4 39 45 A H E +CD 26 207A 77 -13,-2.3 -13,-1.8 -2,-0.3 2,-0.4 -0.962 21.6 177.6-127.4 111.0 111.9 36.5 11.7 40 46 A A E -CD 25 206A 0 166,-2.3 166,-2.9 -2,-0.5 2,-0.4 -0.910 11.2-165.5-121.3 142.9 111.9 40.0 13.2 41 47 A V E -CD 24 205A 10 -17,-3.0 -17,-2.0 -2,-0.4 2,-1.0 -0.991 23.7-128.7-130.7 133.1 114.3 41.6 15.7 42 48 A C E > -C 23 0A 2 162,-2.2 3,-1.6 -2,-0.4 162,-0.4 -0.701 21.7-166.7 -79.7 104.6 113.8 44.7 17.7 43 49 A E T 3 S+ 0 0 118 -21,-1.1 -1,-0.2 -2,-1.0 -20,-0.2 0.687 81.8 62.7 -69.9 -19.1 117.0 46.7 16.9 44 50 A T T 3 S- 0 0 75 -22,-0.9 2,-0.4 1,-0.3 -1,-0.3 0.416 116.9-105.8 -87.7 3.6 116.5 49.2 19.7 45 51 A G S < S+ 0 0 34 -3,-1.6 2,-0.5 -23,-0.2 -1,-0.3 -0.919 84.4 18.4 115.0-138.2 116.8 46.4 22.2 46 52 A K S S- 0 0 150 -2,-0.4 -3,-0.0 -3,-0.1 157,-0.0 -0.609 87.7-109.4 -74.5 121.1 114.0 44.8 24.2 47 53 A L - 0 0 1 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 -0.257 21.7-136.9 -50.2 130.0 110.7 45.7 22.6 48 54 A P S S+ 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.159 81.8 30.0 -82.9 21.2 108.9 48.1 24.9 49 55 A M S S- 0 0 9 79,-0.1 78,-0.2 80,-0.0 77,-0.1 -0.971 104.7 -64.0-165.6 161.8 105.6 46.3 24.5 50 56 A S - 0 0 1 76,-1.9 4,-0.1 -2,-0.3 76,-0.0 -0.230 39.1-138.8 -49.6 139.7 104.1 42.9 23.9 51 57 A W S > S+ 0 0 11 1,-0.2 3,-2.9 2,-0.1 4,-0.4 0.838 90.9 82.1 -68.3 -33.4 105.1 41.6 20.5 52 58 A K G > S+ 0 0 35 1,-0.3 3,-2.5 2,-0.2 4,-0.3 0.842 84.4 53.9 -37.2 -61.3 101.6 40.2 20.0 53 59 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 0.577 105.5 55.9 -57.6 -11.9 100.0 43.5 18.9 54 60 A I G X> S+ 0 0 1 -3,-2.9 3,-2.2 1,-0.2 4,-1.3 0.441 74.6 100.9-101.7 1.3 102.6 43.9 16.2 55 61 A C T <4 S+ 0 0 5 -3,-2.5 3,-0.2 -4,-0.4 -1,-0.2 0.827 80.5 53.5 -51.1 -37.0 101.9 40.5 14.6 56 62 A H T 34 S+ 0 0 23 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.553 103.5 57.3 -80.1 -8.5 99.8 42.2 11.9 57 63 A L T <4 0 0 2 -3,-2.2 -1,-0.2 3,-0.0 -2,-0.2 0.761 360.0 360.0 -90.4 -29.7 102.7 44.5 11.0 58 64 A I < 0 0 5 -4,-1.3 -2,-0.2 -3,-0.2 -3,-0.2 0.670 360.0 360.0-109.9 360.0 105.1 41.7 10.2 59 ! 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 60 68 A E > 0 0 15 0, 0.0 3,-2.8 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 69.9 102.0 40.2 3.8 61 69 A P G > + 0 0 32 0, 0.0 3,-1.6 0, 0.0 14,-0.1 0.880 360.0 63.7 -50.6 -38.4 98.5 40.2 2.3 62 70 A F G 3 S+ 0 0 1 1,-0.3 -29,-0.1 12,-0.2 10,-0.0 0.541 93.3 61.8 -67.3 -8.3 100.0 39.1 -1.0 63 71 A F G < S+ 0 0 0 -3,-2.8 -29,-3.0 -30,-0.1 2,-0.5 0.084 78.4 109.0-105.8 23.7 101.2 35.8 0.5 64 72 A A S < S- 0 0 7 -3,-1.6 2,-0.6 -31,-0.2 149,-0.2 -0.869 73.8-120.5 -99.9 130.7 97.8 34.6 1.3 65 73 A R B -e 213 0A 151 147,-1.9 149,-1.6 -2,-0.5 -2,-0.1 -0.579 31.6-167.5 -74.7 114.2 96.5 31.7 -0.8 66 74 A Y - 0 0 37 -2,-0.6 2,-0.1 147,-0.2 -33,-0.1 -0.632 17.6-122.4 -92.3 157.1 93.3 32.7 -2.6 67 75 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.311 34.1 -99.0 -82.7-179.7 91.0 30.3 -4.5 68 76 A D S S+ 0 0 166 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.967 114.9 57.0 -67.8 -56.1 90.1 30.6 -8.2 69 77 A G S S+ 0 0 83 2,-0.1 2,-0.2 147,-0.0 -1,-0.2 0.859 100.5 65.7 -41.1 -50.6 86.8 32.4 -7.9 70 78 A I S S- 0 0 21 114,-0.1 2,-0.3 1,-0.1 144,-0.1 -0.522 82.9-123.6 -88.9 145.6 88.1 35.3 -5.9 71 79 A S - 0 0 22 -2,-0.2 2,-1.5 114,-0.1 3,-0.2 -0.680 13.6-134.8 -90.4 135.9 90.6 37.9 -7.1 72 80 A H >> + 0 0 14 -2,-0.3 3,-2.0 1,-0.2 4,-1.9 -0.514 26.7 177.3 -90.9 70.5 93.8 38.4 -5.2 73 81 A F H 3> S+ 0 0 0 -2,-1.5 4,-1.6 1,-0.3 -1,-0.2 0.803 75.4 61.9 -40.5 -44.6 93.9 42.3 -5.1 74 82 A A H 34 S+ 0 0 4 1,-0.2 -1,-0.3 2,-0.2 -12,-0.2 0.849 112.3 36.7 -56.2 -37.0 97.1 42.3 -3.0 75 83 A Q H X4 S+ 0 0 44 -3,-2.0 3,-3.2 1,-0.2 -2,-0.2 0.928 108.1 61.2 -81.4 -51.3 99.0 40.5 -5.8 76 84 A E H 3< S+ 0 0 83 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.802 91.0 75.3 -41.1 -32.2 97.4 42.2 -8.7 77 85 A C T 3< S+ 0 0 0 -4,-1.6 100,-0.4 -5,-0.3 -1,-0.3 0.704 86.0 129.5 -60.0 -20.6 98.8 45.4 -7.2 78 86 A F < + 0 0 8 -3,-3.2 25,-0.0 1,-0.3 97,-0.0 -0.601 51.6 21.3 -92.8 154.9 102.3 44.4 -8.4 79 87 A P S S+ 0 0 76 0, 0.0 25,-0.6 0, 0.0 -1,-0.3 -0.965 126.1 52.2 -79.0 -16.3 104.6 45.3 -9.9 80 88 A E S S- 0 0 62 1,-0.1 -2,-0.2 23,-0.1 -3,-0.1 0.548 101.7-145.7 -58.2 -3.5 103.5 48.9 -9.1 81 89 A G - 0 0 0 -6,-0.2 95,-1.7 -4,-0.1 96,-0.6 -0.098 11.3-109.0 67.3-170.6 103.3 47.8 -5.5 82 90 A L E -FG 102 175A 0 20,-1.0 20,-1.9 93,-0.3 93,-0.3 -0.995 10.8-127.3-159.1 156.8 100.7 49.2 -3.0 83 91 A S E -FG 101 174A 24 91,-3.4 91,-1.8 -2,-0.3 2,-0.3 -0.635 18.3-156.1-102.5 160.9 100.1 51.4 -0.0 84 92 A I E -FG 100 173A 0 16,-1.6 16,-3.2 89,-0.2 2,-0.6 -0.940 11.9-171.6-144.8 120.3 98.4 50.6 3.3 85 93 A D E +FG 99 172A 80 87,-2.5 87,-3.3 -2,-0.3 2,-0.3 -0.934 25.3 177.2-107.9 110.5 96.7 52.7 5.9 86 94 A R E -FG 98 171A 15 12,-2.4 12,-1.6 -2,-0.6 2,-0.3 -0.717 15.4-173.1-113.1 160.2 95.9 50.6 8.9 87 95 A T E -FG 97 170A 50 83,-1.3 83,-2.9 -2,-0.3 2,-0.4 -0.977 3.4-174.5-149.4 140.1 94.4 51.3 12.3 88 96 A V E -FG 96 169A 0 8,-0.7 8,-2.3 -2,-0.3 2,-0.5 -0.865 5.3-167.8-140.5 107.2 94.0 49.1 15.3 89 97 A R E -FG 95 168A 126 79,-1.8 79,-3.7 -2,-0.4 2,-0.5 -0.824 13.5-147.7 -94.5 124.6 92.0 50.3 18.4 90 98 A F E > - G 0 167A 2 4,-1.4 3,-2.2 -2,-0.5 2,-0.3 -0.810 25.6-107.3 -97.7 129.1 92.4 48.1 21.5 91 99 A E T 3 S- 0 0 32 75,-2.7 75,-0.2 -2,-0.5 3,-0.1 -0.319 100.2 -6.6 -59.4 112.7 89.5 47.9 23.9 92 100 A N T 3 S+ 0 0 156 1,-0.3 -1,-0.3 -2,-0.3 2,-0.2 0.751 129.0 66.7 75.6 26.3 90.3 49.8 27.0 93 101 A D S < S- 0 0 20 -3,-2.2 -1,-0.3 1,-0.2 27,-0.2 -0.817 91.5 -53.0-154.7-169.1 93.9 50.5 25.9 94 102 A G - 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