==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LUMINESCENT PROTEIN 26-MAY-06 2H5Q . COMPND 2 MOLECULE: MCHERRY; . SOURCE 2 FRAGMENT: CORAL; . AUTHOR X.SHU,S.J.REMINGTON . 217 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 47.0 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 1.4 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 . 14 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 . 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 2 0 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 4 A N > 0 0 70 0, 0.0 4,-2.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -31.2 61.6 26.1 16.5 2 5 A M T 4 + 0 0 76 1,-0.2 5,-0.1 2,-0.2 78,-0.0 0.781 360.0 60.8 -69.2 -21.5 61.0 28.5 13.6 3 6 A A T 4 S+ 0 0 83 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.831 116.1 28.9 -73.0 -28.3 63.9 26.7 11.8 4 7 A I T 4 S+ 0 0 68 -3,-0.4 2,-1.2 1,-0.2 -2,-0.2 0.775 113.7 61.9-105.4 -30.4 62.1 23.3 11.8 5 8 A I S < S- 0 0 0 -4,-2.9 -1,-0.2 77,-0.1 4,-0.1 -0.783 86.1-165.5 -94.6 92.1 58.4 24.5 11.8 6 9 A K - 0 0 131 -2,-1.2 29,-0.1 2,-0.2 -3,-0.1 -0.177 34.1-104.9 -76.8 167.6 58.7 26.3 8.5 7 10 A E S S+ 0 0 137 1,-0.2 2,-0.4 26,-0.1 28,-0.2 0.694 114.3 40.3 -73.2 -14.2 56.2 28.7 7.0 8 11 A F S S+ 0 0 77 25,-0.2 2,-0.4 26,-0.1 25,-0.2 -0.997 77.9 170.8-126.8 126.3 55.0 26.0 4.6 9 12 A M E -A 32 0A 7 23,-2.4 23,-1.9 -2,-0.4 2,-0.3 -1.000 19.4-150.3-140.7 143.2 54.7 22.5 6.0 10 13 A R E -A 31 0A 107 101,-0.4 103,-2.4 -2,-0.4 2,-0.3 -0.670 13.9-165.4-102.8 160.5 53.2 19.3 4.7 11 14 A F E -Ab 30 113A 1 19,-2.3 19,-2.6 -2,-0.3 2,-0.4 -0.970 14.0-148.6-139.7 162.7 51.7 16.4 6.6 12 15 A K E -Ab 29 114A 115 101,-2.3 103,-2.9 -2,-0.3 2,-0.4 -0.984 19.8-166.8-125.0 138.2 50.6 12.8 6.3 13 16 A V E -Ab 28 115A 6 15,-2.5 15,-2.4 -2,-0.4 2,-0.4 -0.979 12.6-174.3-131.7 143.4 47.7 11.3 8.2 14 17 A H E -Ab 27 116A 37 101,-2.1 103,-3.0 -2,-0.4 2,-0.4 -0.997 8.5-168.9-128.7 127.8 46.4 7.9 8.9 15 18 A M E -Ab 26 117A 0 11,-2.8 11,-2.2 -2,-0.4 2,-0.5 -0.985 7.9-170.9-115.3 131.8 43.1 7.2 10.7 16 19 A E E +Ab 25 118A 34 101,-2.3 103,-2.3 -2,-0.4 2,-0.3 -0.986 31.5 155.4-109.6 125.9 42.0 3.8 12.0 17 20 A G E -Ab 24 119A 10 7,-2.5 7,-2.6 -2,-0.5 2,-0.3 -0.951 36.5-157.5-145.3 170.3 38.4 4.0 13.2 18 21 A S E -Ab 23 120A 26 101,-1.6 103,-3.2 -2,-0.3 2,-0.4 -0.968 7.4-170.0-145.6 141.2 35.1 2.4 13.9 19 22 A V E > S-Ab 22 121A 0 3,-1.7 3,-2.4 -2,-0.3 103,-0.2 -0.992 82.6 -16.9-131.2 122.2 31.6 4.1 14.1 20 23 A N T 3 S- 0 0 66 101,-2.3 102,-0.1 -2,-0.4 3,-0.1 0.852 131.8 -52.5 48.2 36.7 28.7 2.0 15.4 21 24 A G T 3 S+ 0 0 60 100,-0.6 2,-0.8 1,-0.2 -1,-0.3 0.312 106.8 130.3 87.4 -6.6 31.0 -1.1 14.8 22 25 A H E < -A 19 0A 62 -3,-2.4 -3,-1.7 30,-0.0 2,-0.3 -0.710 48.3-151.0 -84.0 111.4 31.7 -0.2 11.1 23 26 A E E +A 18 0A 151 -2,-0.8 2,-0.3 -5,-0.2 -5,-0.3 -0.585 26.2 154.8 -87.3 143.6 35.5 -0.4 10.8 24 27 A F E -A 17 0A 6 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.4 -0.976 29.5-141.9-155.7 167.9 37.4 1.7 8.3 25 28 A E E -AC 16 47A 48 22,-1.9 21,-2.2 -2,-0.3 22,-1.6 -0.986 11.8-166.9-135.0 149.0 40.8 3.4 7.5 26 29 A I E -AC 15 45A 0 -11,-2.2 -11,-2.8 -2,-0.4 2,-0.4 -0.993 0.5-168.5-132.0 140.3 41.6 6.7 5.9 27 30 A E E +AC 14 44A 90 17,-2.6 17,-2.7 -2,-0.4 2,-0.3 -0.963 18.2 159.3-124.5 144.7 44.9 8.0 4.5 28 31 A G E -AC 13 43A 2 -15,-2.4 -15,-2.5 -2,-0.4 2,-0.3 -0.972 29.2-141.4-155.4 171.5 45.6 11.6 3.6 29 32 A E E -AC 12 42A 96 13,-2.0 13,-2.9 -2,-0.3 2,-0.3 -0.976 22.4-178.3-133.1 149.2 48.1 14.3 2.9 30 33 A G E -AC 11 41A 4 -19,-2.6 -19,-2.3 -2,-0.3 2,-0.3 -0.893 9.6-171.0-141.4 172.3 47.9 17.9 3.8 31 34 A E E +AC 10 40A 52 9,-2.1 9,-2.5 -2,-0.3 2,-0.3 -0.987 19.4 130.4-158.4 157.4 49.8 21.2 3.5 32 35 A G E -AC 9 39A 0 -23,-1.9 -23,-2.4 -2,-0.3 7,-0.2 -0.989 54.9 -76.7 175.6-168.0 49.5 24.6 4.8 33 36 A R E >>> - C 0 38A 103 5,-2.5 3,-1.4 -2,-0.3 5,-1.3 -0.918 32.4-164.7-121.2 94.3 51.0 27.7 6.5 34 37 A P T 345S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.749 88.2 46.0 -59.5 -31.0 51.4 27.1 10.2 35 38 A Y T 345S+ 0 0 77 -28,-0.2 35,-0.1 1,-0.2 -28,-0.1 0.572 113.3 49.5 -89.0 -11.1 52.0 30.7 11.2 36 39 A E T <45S- 0 0 97 -3,-1.4 33,-0.2 -29,-0.2 -1,-0.2 0.543 108.1-125.2 -99.6 -10.4 49.1 31.9 9.0 37 40 A G T <5 + 0 0 1 -4,-1.1 175,-2.6 1,-0.2 2,-0.4 0.745 66.9 122.3 76.9 26.8 46.7 29.3 10.5 38 41 A T E < +CD 33 211A 16 -5,-1.3 -5,-2.5 173,-0.2 2,-0.3 -0.945 26.9 152.3-124.3 145.7 45.6 27.8 7.1 39 42 A Q E -CD 32 210A 12 171,-1.7 171,-2.7 -2,-0.4 2,-0.3 -0.976 23.5-151.7-161.7 160.4 45.8 24.3 5.8 40 43 A T E -CD 31 209A 52 -9,-2.5 -9,-2.1 -2,-0.3 2,-0.3 -0.936 10.2-164.6-129.8 155.9 44.2 21.9 3.4 41 44 A A E -CD 30 208A 4 167,-2.2 167,-2.7 -2,-0.3 2,-0.5 -0.997 11.4-152.4-138.3 146.6 44.0 18.1 3.5 42 45 A K E -CD 29 207A 89 -13,-2.9 -13,-2.0 -2,-0.3 2,-0.3 -0.992 23.9-168.5-117.2 118.2 43.1 15.5 0.8 43 46 A L E -CD 28 206A 1 163,-3.7 163,-2.3 -2,-0.5 2,-0.4 -0.855 10.9-170.4-112.5 145.9 41.6 12.3 2.4 44 47 A K E -CD 27 205A 91 -17,-2.7 -17,-2.6 -2,-0.3 2,-0.5 -0.998 24.6-129.3-133.3 131.5 40.9 8.9 0.9 45 48 A V E +C 26 0A 23 159,-2.5 -19,-0.3 -2,-0.4 3,-0.1 -0.661 28.8 176.3 -73.6 123.4 39.0 6.0 2.5 46 49 A T E + 0 0 62 -21,-2.2 2,-0.3 -2,-0.5 -20,-0.2 0.601 63.9 21.7-109.5 -15.2 41.4 3.1 2.1 47 50 A K E S+C 25 0A 120 -22,-1.6 -22,-1.9 1,-0.0 -1,-0.3 -0.987 117.1 22.7-147.2 145.2 39.3 0.4 4.0 48 51 A G S S- 0 0 32 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.648 88.7-166.9 83.1 13.6 35.6 0.1 4.9 49 52 A G + 0 0 44 2,-0.1 -1,-0.3 -4,-0.1 2,-0.1 -0.573 56.8 44.3 -90.8 160.3 34.3 2.3 2.2 50 53 A P S S- 0 0 73 0, 0.0 153,-0.1 0, 0.0 154,-0.1 0.548 87.2-134.2 -75.3 150.0 31.9 3.7 1.4 51 54 A L - 0 0 4 151,-0.5 4,-0.1 1,-0.1 -2,-0.1 -0.481 2.4-145.7 -70.5 132.2 31.3 4.9 5.0 52 55 A P S S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.035 76.3 58.4 -89.4 31.1 27.7 4.4 6.2 53 56 A F S S- 0 0 4 79,-0.1 78,-0.2 80,-0.1 2,-0.2 -0.968 99.0 -65.1-148.8 171.1 27.8 7.6 8.3 54 57 A A > - 0 0 3 76,-1.9 3,-1.4 -2,-0.3 4,-0.4 -0.307 30.1-148.2 -63.8 127.0 28.4 11.3 8.0 55 58 A W G >> S+ 0 0 8 1,-0.3 3,-2.3 -2,-0.2 4,-1.4 0.837 90.1 77.6 -57.0 -38.1 31.9 12.4 7.0 56 59 A D G 34 S+ 0 0 11 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.757 83.8 60.7 -53.2 -24.4 31.5 15.5 9.1 57 60 A I G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.788 110.8 42.6 -75.7 -17.3 32.1 13.6 12.4 58 61 A L T X4 S+ 0 0 0 -3,-2.3 3,-2.3 -4,-0.4 4,-0.4 0.721 93.1 81.7 -91.7 -28.2 35.6 12.7 11.1 59 62 A S G >< S+ 0 0 1 -4,-1.4 3,-1.3 1,-0.3 -2,-0.1 0.833 86.8 55.0 -56.5 -39.7 36.6 16.0 9.6 60 63 A P G 3 S+ 0 0 17 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.513 98.2 65.9 -72.7 -0.1 37.8 17.7 12.8 61 64 A Q G < 0 0 1 -3,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.523 360.0 360.0 -95.4 -6.6 40.2 14.8 13.5 62 65 A F < 0 0 9 -3,-1.3 -1,-0.2 -4,-0.4 -3,-0.1 0.434 360.0 360.0 -94.4 360.0 42.5 15.5 10.5 63 ! 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 64 69 A S > 0 0 10 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 64.9 46.2 19.6 13.0 65 70 A K G > + 0 0 19 1,-0.3 3,-0.6 2,-0.1 14,-0.2 0.459 360.0 81.5 -80.7 -0.5 46.9 22.2 15.7 66 71 A A G 3 S+ 0 0 1 1,-0.2 -1,-0.3 12,-0.1 2,-0.2 0.655 87.6 65.0 -67.1 -14.4 50.4 23.0 14.6 67 72 A Y G < S+ 0 0 0 -3,-1.6 2,-0.5 -30,-0.1 145,-0.3 -0.300 70.5 118.8-107.4 49.3 48.7 25.2 12.1 68 73 A V < - 0 0 4 -3,-0.6 2,-0.4 -2,-0.2 145,-0.2 -0.969 64.4-127.3-109.9 126.3 47.0 27.8 14.4 69 74 A K B -e 213 0A 86 143,-2.2 145,-3.4 -2,-0.5 -34,-0.1 -0.567 32.6-165.9 -69.8 125.8 48.0 31.4 13.9 70 75 A H - 0 0 31 -2,-0.4 6,-0.1 143,-0.2 145,-0.1 -0.955 23.3-117.9-118.9 134.9 49.1 32.7 17.4 71 76 A P > - 0 0 32 0, 0.0 3,-2.0 0, 0.0 144,-0.0 -0.298 39.5-109.7 -54.0 146.6 49.7 36.3 18.6 72 77 A A T 3 S+ 0 0 113 1,-0.3 4,-0.1 3,-0.1 -2,-0.0 0.767 116.2 55.2 -58.2 -27.0 53.3 36.6 19.6 73 78 A D T 3 S+ 0 0 121 2,-0.1 -1,-0.3 1,-0.1 0, 0.0 0.237 91.0 79.2 -96.0 17.2 52.4 36.9 23.3 74 79 A I S < S- 0 0 13 -3,-2.0 -1,-0.1 111,-0.1 140,-0.1 -0.959 91.2-121.9-116.6 108.9 50.4 33.6 23.4 75 80 A P - 0 0 29 0, 0.0 2,-1.8 0, 0.0 3,-0.2 -0.277 13.2-137.1 -55.3 129.5 52.9 30.8 23.7 76 81 A D >> + 0 0 25 1,-0.2 4,-2.7 -4,-0.1 3,-0.5 -0.527 31.1 175.1 -91.6 71.0 52.4 28.5 20.8 77 82 A Y H 3> S+ 0 0 5 -2,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.817 72.1 49.7 -44.7 -47.7 52.8 25.3 22.9 78 83 A L H 34 S+ 0 0 8 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.876 112.6 46.4 -75.1 -32.8 52.0 22.8 20.2 79 84 A K H X4 S+ 0 0 3 -3,-0.5 3,-1.7 1,-0.2 -2,-0.2 0.932 111.3 53.8 -65.0 -40.1 54.5 24.3 17.7 80 85 A L H 3< S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.714 93.4 73.0 -66.8 -18.3 57.1 24.5 20.5 81 86 A S T 3X S+ 0 0 0 -4,-1.0 4,-2.6 -5,-0.3 3,-0.4 0.720 85.3 133.9 -70.4 -17.7 56.5 20.7 21.2 82 87 A F T <4 + 0 0 6 -3,-1.7 -77,-0.1 -4,-0.3 -78,-0.1 -0.461 47.1 31.4 -81.1 153.7 58.5 19.8 18.0 83 88 A P T 4 S+ 0 0 70 0, 0.0 25,-0.8 0, 0.0 -1,-0.3 -0.972 133.7 37.6 -77.0 -19.9 60.5 18.0 16.9 84 89 A E T 4 S- 0 0 87 -3,-0.4 -2,-0.3 1,-0.2 2,-0.2 0.921 99.7-164.9 -60.6 -45.6 59.3 15.5 19.5 85 90 A G < - 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