==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LUMINESCENT PROTEIN 13-OCT-04 1XQM . COMPND 2 MOLECULE: KINDLING FLUORESCENT PROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.G.WILMANN,J.PETERSEN,R.J.DEVENISH,M.PRESCOTT,J.ROSSJOHN . 227 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 45.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 26 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 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 0 2 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 3 A S 0 0 121 0, 0.0 76,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.0 86.8 -11.9 24.1 2 4 A L + 0 0 71 75,-0.2 2,-0.5 2,-0.1 75,-0.0 0.370 360.0 93.4 -80.9 5.2 84.8 -10.6 21.2 3 5 A L - 0 0 12 77,-0.1 2,-0.2 4,-0.1 4,-0.1 -0.869 69.5-145.2-103.0 129.8 84.9 -7.3 23.1 4 6 A T - 0 0 78 -2,-0.5 3,-0.3 105,-0.2 29,-0.1 -0.557 30.6-103.9 -93.3 159.0 87.7 -4.8 22.2 5 7 A E S S+ 0 0 117 1,-0.3 2,-0.4 -2,-0.2 29,-0.2 0.738 121.4 37.0 -49.7 -25.3 89.5 -2.4 24.6 6 8 A T S S- 0 0 75 25,-0.2 -1,-0.3 26,-0.1 25,-0.2 -0.832 81.3-173.9-133.5 93.4 87.3 0.3 23.1 7 9 A M E -A 30 0A 1 23,-2.3 23,-1.7 -2,-0.4 2,-0.2 -0.768 10.8-149.7 -94.0 129.0 83.8 -1.0 22.3 8 10 A P E -A 29 0A 23 0, 0.0 103,-2.5 0, 0.0 2,-0.3 -0.643 15.2-169.8 -92.8 153.0 81.3 1.3 20.5 9 11 A F E -Ab 28 111A 0 19,-2.9 19,-1.9 -2,-0.2 2,-0.3 -1.000 11.2-158.2-147.6 144.0 77.5 1.1 21.1 10 12 A K E -Ab 27 112A 95 101,-2.9 103,-3.1 -2,-0.3 2,-0.3 -0.913 12.4-166.6-119.6 147.4 74.4 2.4 19.5 11 13 A T E -Ab 26 113A 3 15,-2.3 15,-2.0 -2,-0.3 2,-0.4 -0.976 14.5-165.4-137.8 150.8 71.0 2.8 21.1 12 14 A T E -Ab 25 114A 76 101,-2.0 103,-2.8 -2,-0.3 2,-0.4 -0.999 16.9-169.3-130.9 130.3 67.4 3.5 20.0 13 15 A I E +Ab 24 115A 5 11,-2.2 11,-2.8 -2,-0.4 2,-0.4 -0.982 9.2 179.3-127.9 136.0 64.9 4.5 22.7 14 16 A E E +Ab 23 116A 107 101,-2.3 103,-2.5 -2,-0.4 2,-0.3 -1.000 22.4 133.8-134.4 133.1 61.1 4.8 22.4 15 17 A G E -Ab 22 117A 7 7,-2.0 7,-2.3 -2,-0.4 2,-0.4 -0.985 42.7-131.6-166.2 177.5 58.8 5.7 25.3 16 18 A T E -Ab 21 118A 43 101,-1.6 103,-3.1 -2,-0.3 2,-0.5 -0.981 19.8-175.7-142.8 125.8 56.0 7.6 26.9 17 19 A V E > S-Ab 20 119A 0 3,-2.1 3,-2.2 -2,-0.4 103,-0.2 -0.985 76.0 -17.3-128.4 120.0 56.3 9.4 30.2 18 20 A N T 3 S- 0 0 61 101,-2.0 102,-0.1 -2,-0.5 -1,-0.1 0.869 131.7 -49.7 54.4 38.5 53.2 11.0 31.8 19 21 A G T 3 S+ 0 0 68 100,-0.5 2,-0.7 1,-0.2 -1,-0.3 0.395 111.5 124.1 84.0 -3.8 51.5 10.9 28.5 20 22 A H E < -A 17 0A 57 -3,-2.2 -3,-2.1 30,-0.0 2,-0.2 -0.824 48.8-152.0 -97.2 114.7 54.5 12.4 26.6 21 23 A C E +A 16 0A 83 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.544 23.6 162.8 -82.0 146.0 55.8 10.3 23.7 22 24 A F E -A 15 0A 5 -7,-2.3 -7,-2.0 -2,-0.2 2,-0.3 -0.974 24.4-151.8-156.5 166.6 59.4 10.6 22.6 23 25 A K E -AC 14 45A 71 22,-1.9 21,-2.0 -2,-0.3 22,-1.7 -0.994 14.4-173.3-146.7 138.0 62.1 8.8 20.6 24 26 A C E -AC 13 43A 1 -11,-2.8 -11,-2.2 -2,-0.3 2,-0.3 -0.873 11.5-165.3-130.9 164.0 65.9 8.9 21.0 25 27 A I E +AC 12 42A 62 17,-1.9 17,-3.5 -2,-0.3 2,-0.3 -0.955 18.4 178.2-141.8 150.8 69.0 7.7 19.3 26 28 A G E -AC 11 41A 9 -15,-2.0 -15,-2.3 -2,-0.3 2,-0.3 -0.996 16.0-166.2-156.8 159.8 72.5 7.5 20.8 27 29 A K E +AC 10 40A 106 13,-1.7 13,-2.9 -2,-0.3 2,-0.3 -0.993 23.5 135.0-147.7 145.8 76.1 6.5 20.2 28 30 A G E -AC 9 39A 6 -19,-1.9 -19,-2.9 -2,-0.3 2,-0.3 -0.965 29.7-138.0-171.0-176.5 79.0 6.1 22.5 29 31 A E E +AC 8 38A 100 9,-1.9 9,-2.1 -2,-0.3 2,-0.3 -0.966 18.8 167.8-153.5 164.3 82.0 3.9 23.4 30 32 A G E -AC 7 37A 10 -23,-1.7 -23,-2.3 -2,-0.3 7,-0.3 -0.974 43.2 -90.1-167.2 176.3 83.7 2.7 26.5 31 33 A N E >>> - C 0 36A 33 5,-1.7 4,-1.5 -2,-0.3 5,-1.3 -0.871 31.5-162.2-103.7 100.7 86.3 0.3 28.0 32 34 A P T 345S+ 0 0 0 0, 0.0 34,-0.6 0, 0.0 -1,-0.2 0.844 90.5 42.8 -47.6 -43.9 84.4 -2.9 28.9 33 35 A F T 345S+ 0 0 75 1,-0.2 35,-0.1 -29,-0.1 -28,-0.1 0.656 115.0 47.9 -82.7 -18.3 87.1 -4.2 31.2 34 36 A E T <45S- 0 0 109 -3,-0.9 33,-0.3 2,-0.2 -1,-0.2 0.537 105.7-128.6 -96.2 -10.9 87.7 -0.8 32.9 35 37 A G T <5 + 0 0 0 -4,-1.5 178,-2.7 31,-0.3 2,-0.3 0.809 64.4 124.4 69.2 31.9 84.0 -0.3 33.4 36 38 A T E < +CD 31 212A 49 -5,-1.3 -5,-1.7 176,-0.2 2,-0.3 -0.916 26.9 156.1-123.0 150.7 83.9 3.2 31.9 37 39 A Q E -CD 30 211A 19 174,-1.3 174,-2.2 -2,-0.3 2,-0.3 -0.985 17.5-166.3-165.6 161.2 81.7 4.5 29.1 38 40 A E E +CD 29 210A 60 -9,-2.1 -9,-1.9 -2,-0.3 2,-0.3 -0.988 10.8 174.2-155.0 146.4 80.2 7.6 27.6 39 41 A M E -CD 28 209A 9 170,-2.0 170,-2.6 -2,-0.3 2,-0.5 -0.985 28.3-126.0-152.6 161.6 77.6 8.4 25.0 40 42 A K E -CD 27 208A 35 -13,-2.9 -13,-1.7 -2,-0.3 2,-0.4 -0.955 24.9-157.9-112.2 124.8 75.6 11.2 23.4 41 43 A I E -CD 26 207A 1 166,-3.0 166,-2.1 -2,-0.5 2,-0.5 -0.878 5.3-164.0-104.9 136.8 71.8 10.8 23.5 42 44 A E E -CD 25 206A 95 -17,-3.5 -17,-1.9 -2,-0.4 2,-0.9 -0.975 15.4-142.4-125.6 124.1 69.7 12.6 21.0 43 45 A V E +C 24 0A 12 162,-3.2 -19,-0.3 -2,-0.5 4,-0.1 -0.727 23.9 173.1 -82.4 109.3 65.9 13.2 21.3 44 46 A I E + 0 0 86 -21,-2.0 2,-0.3 -2,-0.9 -20,-0.2 0.594 66.3 30.3 -93.9 -12.6 64.7 12.8 17.7 45 47 A E E S+C 23 0A 105 -22,-1.7 -22,-1.9 1,-0.1 -1,-0.2 -0.996 118.6 18.1-145.9 142.7 60.9 13.0 18.6 46 48 A G S S- 0 0 31 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 0.607 92.7-175.4 75.3 11.0 59.0 14.7 21.3 47 49 A G + 0 0 29 2,-0.1 -1,-0.3 -4,-0.1 158,-0.1 -0.580 54.5 53.1 -88.4 154.3 61.9 17.1 22.1 48 50 A P S S- 0 0 63 0, 0.0 157,-0.2 0, 0.0 156,-0.2 0.494 93.9-125.3 -76.4 141.0 62.5 19.1 24.0 49 51 A L - 0 0 8 155,-2.6 -2,-0.1 1,-0.2 4,-0.1 -0.267 7.3-144.7 -56.0 129.5 61.7 16.7 26.8 50 52 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.177 80.4 49.6 -81.3 18.5 59.1 18.1 29.3 51 53 A F S S- 0 0 1 79,-0.1 78,-0.2 153,-0.1 77,-0.1 -0.976 104.1 -70.4-151.6 161.9 60.9 16.3 32.2 52 54 A A > - 0 0 0 76,-2.4 3,-1.4 -2,-0.3 4,-0.1 -0.339 36.9-140.5 -58.0 126.7 64.4 15.9 33.6 53 55 A F G > S+ 0 0 2 1,-0.3 3,-2.4 2,-0.1 4,-0.3 0.779 90.4 83.1 -57.6 -28.3 66.4 13.7 31.3 54 56 A H G > S+ 0 0 24 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.722 73.7 68.3 -50.9 -30.4 67.9 12.0 34.4 55 57 A I G < S+ 0 0 2 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.577 103.6 48.4 -70.1 -4.2 65.0 9.6 34.8 56 58 A L G X> S+ 0 0 3 -3,-2.4 3,-2.4 -4,-0.1 4,-0.8 0.458 81.6 99.9-108.9 -7.1 66.2 8.0 31.6 57 59 A S G X4 S+ 0 0 2 -3,-1.3 3,-0.5 -4,-0.3 -2,-0.1 0.832 83.2 47.3 -49.4 -41.0 69.9 7.8 32.7 58 60 A T G 34 S+ 0 0 26 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.427 109.9 55.1 -84.4 2.8 69.7 4.1 33.6 59 61 A S G <4 0 0 3 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.525 360.0 360.0-110.3 -8.2 68.0 3.2 30.4 60 62 A C << 0 0 12 -4,-0.8 -1,-0.1 -3,-0.5 53,-0.1 0.735 360.0 360.0 -47.0 360.0 70.4 4.6 27.8 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 21 0, 0.0 3,-1.6 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 67.7 74.7 -0.7 29.5 63 67 A K T 3 + 0 0 6 1,-0.3 13,-0.2 13,-0.0 3,-0.2 0.493 360.0 81.3 -66.5 -6.0 75.9 -3.6 31.7 64 68 A T T 3 S+ 0 0 0 1,-0.2 2,-1.1 12,-0.1 -1,-0.3 0.773 82.7 69.7 -71.1 -22.5 78.6 -4.8 29.4 65 69 A F < + 0 0 0 -3,-1.6 2,-0.4 -30,-0.1 -1,-0.2 -0.562 70.0 121.6 -98.8 72.7 80.8 -2.0 30.8 66 70 A I - 0 0 2 -2,-1.1 2,-0.8 -34,-0.6 -31,-0.3 -0.998 55.5-137.6-133.7 135.7 81.5 -3.1 34.3 67 71 A K E -e 214 0A 81 146,-1.8 148,-2.4 -2,-0.4 2,-0.5 -0.828 23.0-158.2 -94.5 107.6 84.9 -3.8 35.9 68 72 A Y E -e 215 0A 37 -2,-0.8 3,-0.2 146,-0.2 2,-0.2 -0.753 13.1-177.6 -89.8 127.7 84.5 -7.0 38.0 69 73 A V > + 0 0 49 146,-2.8 3,-2.2 -2,-0.5 145,-0.0 -0.539 57.5 41.4-112.5-179.5 87.0 -7.5 40.8 70 74 A S T 3 S- 0 0 87 1,-0.3 -1,-0.2 -2,-0.2 146,-0.1 0.747 125.9 -71.5 51.3 28.0 87.6 -10.3 43.3 71 75 A G T 3 S+ 0 0 69 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.629 79.7 167.4 68.1 14.9 87.1 -12.9 40.5 72 76 A I < - 0 0 8 -3,-2.2 -1,-0.2 143,-0.2 143,-0.1 -0.426 41.4-109.6 -64.5 128.1 83.3 -12.2 40.3 73 77 A P - 0 0 16 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.280 22.9-128.7 -59.3 143.2 81.9 -13.9 37.2 74 78 A D > - 0 0 23 1,-0.2 4,-2.0 -6,-0.1 5,-0.2 -0.796 23.8-176.6 -99.7 95.2 80.8 -11.5 34.4 75 79 A Y H > S+ 0 0 4 -2,-1.0 4,-0.7 1,-0.2 -1,-0.2 0.830 81.4 47.3 -58.7 -36.9 77.2 -12.5 33.5 76 80 A F H >4 S+ 0 0 0 -13,-0.2 3,-0.7 2,-0.2 4,-0.4 0.943 111.6 44.7 -75.6 -50.4 77.0 -9.9 30.7 77 81 A K H >4 S+ 0 0 33 1,-0.2 3,-1.1 -14,-0.2 -75,-0.2 0.868 111.3 56.6 -63.7 -32.9 80.3 -10.4 28.9 78 82 A Q H 3< S+ 0 0 54 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.773 95.1 69.2 -66.8 -26.4 79.7 -14.2 29.1 79 83 A S T - G 0 168A 14 4,-3.3 3,-2.1 -2,-0.5 76,-0.2 -0.688 20.2-123.9 -92.3 145.3 60.3 7.1 43.0 93 97 A E T 3 S+ 0 0 115 74,-2.6 75,-0.1 -2,-0.3 -1,-0.1 0.654 110.4 55.4 -61.6 -15.4 59.5 8.2 46.6 94 98 A D T 3 S- 0 0 37 73,-0.3 -1,-0.3 2,-0.1 32,-0.1 0.194 128.8 -87.8-103.7 18.1 57.1 10.9 45.3 95 99 A G S < S+ 0 0 34 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.258 81.7 131.1 104.2 -15.6 54.9 8.5 43.3 96 100 A G - 0 0 0 -5,-0.1 -4,-3.3 23,-0.0 2,-0.4 -0.409 35.9-160.7 -75.9 151.5 56.5 8.3 39.9 97 101 A F E -FH 91 120A 83 23,-2.5 23,-2.4 -6,-0.2 2,-0.5 -0.995 6.1-170.0-129.6 135.6 57.3 5.0 38.1 98 102 A L E -FH 90 119A 3 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.4 -0.950 11.0-173.8-129.7 108.7 59.7 4.5 35.2 99 103 A T E +FH 89 118A 51 19,-3.1 19,-2.8 -2,-0.5 2,-0.3 -0.853 6.9 174.7-104.9 137.3 59.5 1.1 33.6 100 104 A A E -FH 88 117A 6 -12,-2.9 -12,-2.8 -2,-0.4 2,-0.4 -0.991 20.5-166.6-145.3 150.8 61.9 -0.1 30.9 101 105 A H E -FH 87 116A 72 15,-2.0 15,-2.7 -2,-0.3 2,-0.4 -0.991 18.9-174.6-131.7 137.0 62.8 -3.1 28.8 102 106 A Q E -FH 86 115A 1 -16,-2.6 -16,-2.0 -2,-0.4 2,-0.5 -0.993 16.5-153.7-140.2 145.0 66.0 -3.3 26.9 103 107 A D E -FH 85 114A 30 11,-2.2 11,-1.8 -2,-0.4 2,-0.5 -0.972 10.7-162.8-118.2 127.6 67.6 -5.7 24.4 104 108 A T E +FH 84 113A 0 -20,-3.3 -20,-1.7 -2,-0.5 2,-0.3 -0.947 17.4 165.2-113.2 126.9 71.4 -5.9 24.1 105 109 A S E - 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