==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 06-MAR-10 3M22 . COMPND 2 MOLECULE: TAGRFP; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR V.N.MALASHKEVICH,O.M.SUBACH,U.A.RAMAGOPAL,S.C.ALMO,V.V.VERKH . 892 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 655 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 409 45.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 96 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 4 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 4 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 0 0 6 2 6 2 8 5 11 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 4 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 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.5 31.6 28.3 18.9 2 4 A L + 0 0 81 78,-0.2 2,-0.6 75,-0.1 75,-0.0 0.770 360.0 62.9 -73.2 -29.2 28.2 29.0 20.5 3 5 A I S S- 0 0 4 77,-0.1 2,-0.2 74,-0.1 -1,-0.1 -0.906 80.1-162.8-100.3 121.3 28.6 26.0 22.7 4 6 A K - 0 0 114 -2,-0.6 29,-0.2 105,-0.1 3,-0.1 -0.480 35.2-104.7-105.1 166.6 31.6 26.4 25.0 5 7 A E S S+ 0 0 86 1,-0.2 2,-0.4 -2,-0.2 29,-0.2 0.708 117.8 36.9 -63.9 -20.0 33.7 24.0 27.2 6 8 A N S S+ 0 0 94 25,-0.2 2,-0.4 26,-0.1 -1,-0.2 -0.951 77.2 174.9-134.7 116.3 31.9 25.4 30.1 7 9 A M E -A 30 0A 4 23,-2.3 23,-2.6 -2,-0.4 2,-0.2 -0.958 15.8-150.6-122.6 139.8 28.1 26.3 29.8 8 10 A H E -Ab 29 110A 110 101,-0.5 103,-2.0 -2,-0.4 2,-0.3 -0.633 15.1-160.7 -98.5 165.1 25.6 27.5 32.4 9 11 A M E -Ab 28 111A 3 19,-2.5 19,-1.6 -2,-0.2 2,-0.4 -0.983 12.5-157.6-147.9 154.0 21.9 26.9 32.3 10 12 A K E -Ab 27 112A 94 101,-3.1 103,-3.1 -2,-0.3 2,-0.4 -0.994 14.7-158.5-130.6 140.2 18.6 28.2 33.8 11 13 A L E -Ab 26 113A 2 15,-2.2 15,-2.1 -2,-0.4 2,-0.5 -0.967 17.1-176.0-130.9 127.8 15.3 26.3 34.1 12 14 A Y E +Ab 25 114A 101 101,-2.4 103,-2.1 -2,-0.4 2,-0.4 -0.980 21.8 175.9-103.8 120.9 11.7 27.1 34.5 13 15 A M E +Ab 24 115A 0 11,-3.0 11,-2.5 -2,-0.5 2,-0.3 -0.970 4.9 160.8-121.6 143.2 9.5 24.0 35.0 14 16 A E E +Ab 23 116A 72 101,-1.7 103,-1.4 -2,-0.4 2,-0.3 -0.966 12.9 108.6-155.2 151.8 5.8 23.7 35.7 15 17 A G E -Ab 22 117A 14 7,-1.9 7,-1.6 -2,-0.3 2,-0.4 -0.973 49.9 -83.9 175.9-161.1 3.0 21.1 35.5 16 18 A T E -Ab 21 118A 26 101,-1.6 103,-2.9 -2,-0.3 2,-0.4 -1.000 20.4-171.4-139.7 134.8 0.6 18.8 37.2 17 19 A V E > S-Ab 20 119A 0 3,-1.9 3,-1.2 -2,-0.4 103,-0.2 -0.983 81.5 -20.3-128.8 119.4 0.9 15.2 38.6 18 20 A N T 3 S- 0 0 53 101,-2.1 -1,-0.2 -2,-0.4 102,-0.1 0.952 130.9 -47.4 42.1 65.1 -2.3 13.5 39.7 19 21 A N T 3 S+ 0 0 128 100,-0.3 2,-0.6 1,-0.1 -1,-0.3 0.577 112.0 121.6 53.0 20.0 -4.0 16.8 40.1 20 22 A H E < -A 17 0A 53 -3,-1.2 -3,-1.9 2,-0.0 -1,-0.1 -0.915 49.0-154.5-115.1 107.9 -1.2 18.5 42.0 21 23 A H E +A 16 0A 124 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.380 21.1 165.0 -72.4 156.2 0.2 21.6 40.3 22 24 A F E -A 15 0A 6 -7,-1.6 -7,-1.9 -2,-0.1 2,-0.4 -0.971 25.2-150.0-168.0 155.9 3.8 22.7 41.0 23 25 A K E -AC 14 45A 75 22,-1.5 21,-2.9 -2,-0.3 22,-1.7 -0.996 15.7-177.4-136.0 138.7 6.5 25.0 39.7 24 26 A C E -AC 13 43A 0 -11,-2.5 -11,-3.0 -2,-0.4 2,-0.4 -0.955 9.1-161.3-129.0 152.0 10.3 24.5 39.9 25 27 A T E -AC 12 42A 48 17,-2.2 17,-2.5 -2,-0.3 2,-0.3 -0.985 11.9-166.2-127.5 146.6 13.3 26.5 38.9 26 28 A S E -AC 11 41A 3 -15,-2.1 -15,-2.2 -2,-0.4 2,-0.3 -0.874 11.1-164.1-127.0 162.9 16.8 25.2 38.5 27 29 A E E +AC 10 40A 99 13,-1.6 13,-3.2 -2,-0.3 2,-0.3 -0.972 26.6 147.1-139.4 147.3 20.3 26.6 38.1 28 30 A G E -AC 9 39A 2 -19,-1.6 -19,-2.5 -2,-0.3 2,-0.3 -0.997 32.2-143.6-172.3 167.7 23.3 24.7 36.8 29 31 A E E +AC 8 38A 74 9,-0.8 9,-2.5 -2,-0.3 2,-0.3 -0.996 21.7 170.7-143.9 143.5 26.6 24.3 35.0 30 32 A G E -AC 7 37A 6 -23,-2.6 -23,-2.3 -2,-0.3 7,-0.3 -0.947 40.0-120.5-146.0 172.5 28.2 21.6 32.9 31 33 A K E >>> - C 0 36A 85 5,-1.6 5,-1.3 -2,-0.3 3,-1.3 -0.877 29.6-167.6-113.1 90.9 31.0 20.7 30.6 32 34 A P T 345S+ 0 0 0 0, 0.0 34,-0.5 0, 0.0 -1,-0.1 0.745 84.9 48.2 -53.6 -32.3 29.0 19.8 27.4 33 35 A Y T 345S+ 0 0 75 1,-0.2 -28,-0.1 -28,-0.2 32,-0.1 0.631 113.0 46.8 -88.5 -18.5 31.9 18.1 25.7 34 36 A E T <45S- 0 0 74 -3,-1.3 33,-0.2 -29,-0.2 -1,-0.2 0.518 109.6-130.5 -91.7 -11.3 32.8 16.1 28.7 35 37 A G T <5 + 0 0 0 -4,-1.1 178,-2.3 1,-0.2 2,-0.2 0.596 64.5 123.6 71.0 14.3 29.1 15.2 29.0 36 38 A T E < +CD 31 212A 38 -5,-1.3 -5,-1.6 176,-0.2 2,-0.3 -0.697 30.6 165.1-105.3 160.4 28.8 16.1 32.7 37 39 A Q E -CD 30 211A 6 174,-0.9 174,-1.8 -7,-0.3 2,-0.4 -0.924 24.3-142.1-171.5 143.2 26.4 18.6 34.4 38 40 A T E -CD 29 210A 28 -9,-2.5 -9,-0.8 -2,-0.3 2,-0.4 -0.923 11.5-168.8-115.3 139.2 24.9 19.8 37.8 39 41 A M E -CD 28 209A 5 170,-3.0 170,-3.2 -2,-0.4 2,-0.6 -0.996 6.1-164.5-126.1 127.8 21.4 21.0 38.5 40 42 A R E -CD 27 208A 72 -13,-3.2 -13,-1.6 -2,-0.4 2,-0.5 -0.970 21.4-165.4-112.6 116.6 20.3 22.7 41.7 41 43 A I E -CD 26 207A 1 166,-3.0 166,-2.5 -2,-0.6 2,-0.4 -0.904 15.9-169.3-120.6 122.0 16.5 22.6 41.8 42 44 A K E -CD 25 206A 121 -17,-2.5 -17,-2.2 -2,-0.5 2,-0.6 -0.904 19.4-140.3-102.2 137.8 14.1 24.5 44.0 43 45 A V E +C 24 0A 18 162,-2.6 -19,-0.3 -2,-0.4 3,-0.1 -0.891 25.8 175.6 -89.8 124.3 10.4 23.6 44.1 44 46 A V E + 0 0 74 -21,-2.9 2,-0.3 -2,-0.6 -20,-0.2 0.575 59.7 28.8-113.5 -14.2 8.7 27.0 44.3 45 47 A E E S+C 23 0A 119 -22,-1.7 -22,-1.5 1,-0.0 -1,-0.3 -0.991 111.1 30.1-144.6 147.6 5.0 26.1 44.1 46 48 A G S S- 0 0 27 -2,-0.3 -24,-0.1 1,-0.3 -2,-0.0 0.251 83.6-178.5 91.4 -12.1 3.0 23.1 45.2 47 49 A G + 0 0 54 1,-0.2 -1,-0.3 -24,-0.1 2,-0.1 -0.468 62.8 50.6 -68.2 136.8 5.3 22.2 48.1 48 50 A P S S- 0 0 109 0, 0.0 -1,-0.2 0, 0.0 156,-0.1 0.349 89.6-152.9 -80.1 130.3 5.1 19.9 49.9 49 51 A L - 0 0 13 154,-0.3 4,-0.1 1,-0.1 -2,-0.1 -0.557 8.4-144.6 -74.6 129.1 4.8 17.8 46.7 50 52 A P S S+ 0 0 55 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.611 75.9 62.6 -72.6 -12.7 2.8 14.5 47.3 51 53 A F S S- 0 0 1 79,-0.1 78,-0.2 1,-0.1 2,-0.2 -0.704 95.8 -81.6-116.4 163.9 4.9 12.4 45.0 52 54 A A > - 0 0 1 76,-2.2 3,-2.0 -2,-0.2 4,-0.2 -0.405 28.2-137.9 -66.9 127.2 8.5 11.2 44.7 53 55 A F G > S+ 0 0 1 1,-0.3 3,-1.4 -2,-0.2 4,-0.4 0.662 94.2 86.0 -61.1 -10.3 10.9 13.8 43.2 54 56 A D G 3 S+ 0 0 5 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.684 76.5 64.2 -62.1 -18.3 12.3 10.8 41.3 55 57 A I G < S+ 0 0 3 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.519 103.0 46.2 -89.6 -2.5 9.7 11.2 38.5 56 58 A L S X S+ 0 0 0 -3,-1.4 3,-1.8 -4,-0.2 4,-0.3 0.423 80.5 98.3-112.8 -8.4 10.9 14.6 37.3 57 59 A A G > S+ 0 0 6 -4,-0.4 3,-1.0 -3,-0.4 -2,-0.1 0.797 80.2 54.7 -58.1 -33.4 14.7 14.0 37.2 58 60 A T G 3 S+ 0 0 30 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.494 101.7 63.6 -77.8 -1.1 14.8 13.3 33.4 59 61 A S G < 0 0 2 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.536 360.0 360.0 -98.5 -10.3 13.1 16.6 32.9 60 62 A F < 0 0 9 -3,-1.0 -2,-0.1 -4,-0.3 -1,-0.1 0.800 360.0 360.0 -89.2 360.0 15.8 18.9 34.3 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 10 0, 0.0 3,-0.9 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 95.4 19.7 18.7 29.1 63 67 A R T 3 + 0 0 11 1,-0.2 3,-0.2 13,-0.1 13,-0.2 0.678 360.0 75.3 -82.9 -18.9 20.9 17.3 25.8 64 68 A T T 3 S+ 0 0 0 1,-0.2 2,-0.9 12,-0.1 -1,-0.2 0.723 86.3 71.4 -61.9 -22.2 23.7 19.8 25.1 65 69 A F < + 0 0 0 -3,-0.9 2,-0.4 -30,-0.1 148,-0.3 -0.555 69.3 111.0-100.5 65.3 25.7 17.9 27.8 66 70 A I - 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