==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-JUL-13 4LKB . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN ALR4568/PUTATIVE 4-OXALOCROT . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP. PCC 7120; . AUTHOR D.KUMARAN,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR . 726 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 578 79.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 14.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 55 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 6 0 0 0 5 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 3 3 6 0 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 12 6 0 0 0 6 0 0 0 0 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 6 0 0 0 0 0 0 0 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 0 F S 0 0 82 0, 0.0 2,-0.5 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0 118.9 -41.6 32.3 54.9 2 1 F X + 0 0 6 33,-0.1 68,-0.9 2,-0.0 2,-0.4 -0.772 360.0 170.8 -96.5 120.6 -38.9 34.2 56.9 3 2 F V E -A 69 0A 5 -2,-0.5 2,-0.4 36,-0.2 38,-0.4 -0.981 12.7-166.4-135.6 125.2 -37.3 37.3 55.3 4 3 F Q E -A 68 0A 4 64,-2.8 64,-2.9 -2,-0.4 2,-0.4 -0.904 6.5-162.6-105.0 137.6 -35.0 39.8 57.0 5 4 F I E -Ab 67 42A 1 36,-2.1 38,-2.4 -2,-0.4 2,-0.4 -0.965 6.2-172.6-120.1 136.5 -34.1 43.1 55.4 6 5 F K E -Ab 66 43A 4 60,-2.8 60,-3.1 -2,-0.4 2,-0.4 -0.999 9.5-166.0-123.4 129.8 -31.2 45.3 56.4 7 6 F V E -Ab 65 44A 0 36,-2.4 38,-3.5 -2,-0.4 2,-0.4 -0.954 5.0-173.7-125.8 131.8 -31.0 48.8 54.9 8 7 F Y E +Ab 64 45A 3 56,-2.7 56,-2.7 -2,-0.4 2,-0.3 -0.961 19.4 131.0-123.3 142.8 -28.1 51.1 54.8 9 8 F G E -Ab 63 46A 1 36,-1.3 38,-2.4 -2,-0.4 54,-0.1 -0.961 63.3 -58.4-169.5 171.4 -27.7 54.7 53.6 10 9 F L E >> - b 0 47A 9 52,-0.6 4,-2.9 50,-0.5 3,-0.9 -0.425 51.3-127.3 -57.7 125.6 -26.4 58.2 54.7 11 10 F A H 3> S+ 0 0 26 36,-2.7 4,-3.0 1,-0.2 -1,-0.1 0.898 107.4 56.7 -46.0 -53.2 -28.2 59.1 57.9 12 11 F E H 34 S+ 0 0 115 35,-0.3 -1,-0.2 1,-0.2 36,-0.1 0.829 117.9 34.0 -42.3 -46.2 -29.4 62.5 56.5 13 12 F K H <> S+ 0 0 68 -3,-0.9 4,-0.6 47,-0.2 -2,-0.2 0.832 121.6 44.4 -84.3 -41.2 -31.1 60.8 53.6 14 13 F L H >X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 3,-0.5 0.852 101.9 63.3 -75.6 -38.5 -32.2 57.6 55.2 15 14 F N H 3< S+ 0 0 69 -4,-3.0 4,-0.4 -5,-0.3 -1,-0.2 0.913 102.8 49.0 -62.2 -39.6 -33.7 58.9 58.4 16 15 F P H 34 S+ 0 0 92 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.797 122.4 33.6 -67.5 -21.6 -36.5 61.0 56.7 17 16 F I H S+ 0 0 54 -4,-0.4 4,-1.2 2,-0.2 -1,-0.3 0.970 118.6 36.1 -59.1 -47.2 -40.6 54.8 58.0 20 19 F E H > S+ 0 0 74 -3,-0.3 4,-2.2 -4,-0.3 -2,-0.2 0.886 114.4 57.8 -74.6 -36.4 -42.2 54.9 54.5 21 20 F L H X S+ 0 0 0 -4,-3.5 4,-3.0 1,-0.2 5,-0.3 0.944 102.3 55.2 -56.4 -42.9 -39.3 52.9 52.9 22 21 F S H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.921 108.2 48.2 -57.4 -41.2 -40.1 50.1 55.3 23 22 F N H X S+ 0 0 75 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.908 112.0 48.7 -65.4 -43.1 -43.8 50.1 54.1 24 23 F I H X S+ 0 0 33 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 112.6 47.3 -63.4 -45.2 -42.8 50.0 50.5 25 24 F L H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.952 112.1 50.2 -66.1 -41.6 -40.3 47.2 50.9 26 25 F H H X S+ 0 0 10 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.863 110.1 49.2 -62.5 -39.8 -42.7 45.2 53.0 27 26 F T H X S+ 0 0 61 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.903 108.9 55.8 -60.9 -42.6 -45.5 45.6 50.3 28 27 F S H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 5,-0.5 0.947 108.8 45.3 -56.3 -47.3 -43.0 44.6 47.7 29 28 F L H X>S+ 0 0 2 -4,-2.2 6,-1.3 2,-0.2 4,-1.2 0.813 111.4 52.2 -69.4 -37.2 -42.3 41.4 49.6 30 29 F I H X5S+ 0 0 48 -4,-2.0 4,-1.1 4,-0.2 -2,-0.2 0.952 115.3 42.3 -59.4 -50.9 -46.0 40.6 50.1 31 30 F E H <5S+ 0 0 105 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.907 126.5 28.7 -67.7 -44.2 -46.7 41.1 46.4 32 31 F V H <5S+ 0 0 9 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.901 135.0 26.6 -86.6 -42.7 -43.7 39.2 44.9 33 32 F L H <5S- 0 0 5 -4,-1.2 -3,-0.2 -5,-0.5 -2,-0.2 0.624 92.4-134.7 -97.5 -12.9 -42.9 36.6 47.6 34 33 F Q << + 0 0 143 -4,-1.1 -4,-0.2 -5,-0.6 -3,-0.1 0.864 41.9 168.5 65.0 34.1 -46.4 36.3 49.1 35 34 F I - 0 0 7 -6,-1.3 -1,-0.2 -9,-0.1 -33,-0.1 -0.464 48.5 -83.0 -68.6 160.6 -45.0 36.5 52.6 36 35 F S > - 0 0 52 -35,-0.2 3,-1.7 1,-0.1 -1,-0.1 -0.386 34.6-129.9 -61.3 129.2 -47.6 37.0 55.5 37 36 F P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.745 107.6 57.6 -61.0 -17.3 -48.5 40.7 55.8 38 37 F E T 3 S+ 0 0 128 1,-0.2 2,-1.7 384,-0.1 385,-0.3 0.744 86.1 85.0 -76.0 -29.4 -47.8 40.4 59.6 39 38 F K < + 0 0 56 -3,-1.7 2,-0.6 383,-0.1 -36,-0.2 -0.451 50.7 151.3 -86.2 66.8 -44.2 39.2 59.1 40 39 F R + 0 0 52 -2,-1.7 2,-0.4 -3,-0.1 -36,-0.1 -0.864 13.1 172.8 -95.6 120.8 -42.1 42.5 58.7 41 40 F F + 0 0 2 -2,-0.6 -36,-2.1 -38,-0.4 2,-0.4 -0.893 15.9 157.4-130.5 97.7 -38.5 42.1 59.9 42 41 F H E -bC 5 420A 2 378,-2.2 378,-3.0 -2,-0.4 2,-0.4 -0.984 22.7-172.9-129.1 144.0 -36.5 45.2 59.1 43 42 F R E -bC 6 419A 1 -38,-2.4 -36,-2.4 -2,-0.4 2,-0.4 -0.994 12.5-155.7-131.2 133.3 -33.3 46.8 60.4 44 43 F F E -b 7 0A 1 374,-2.6 -36,-0.2 -2,-0.4 -38,-0.0 -0.929 5.5-163.1-112.4 143.3 -32.1 50.1 59.3 45 44 F F E -b 8 0A 19 -38,-3.5 -36,-1.3 -2,-0.4 2,-0.4 -0.778 4.3-168.2-127.2 84.4 -28.5 51.4 59.5 46 45 F P E -b 9 0A 38 0, 0.0 2,-0.4 0, 0.0 -36,-0.2 -0.623 20.1-150.7 -68.6 126.9 -28.2 55.1 59.2 47 46 F L E -b 10 0A 11 -38,-2.4 -36,-2.7 -2,-0.4 -35,-0.3 -0.836 12.3-115.2-109.9 142.0 -24.5 55.9 58.6 48 47 F D > - 0 0 91 -2,-0.4 3,-2.5 -38,-0.2 4,-0.3 -0.370 34.5-111.4 -65.4 147.3 -22.4 58.8 59.5 49 48 F K G > S+ 0 0 132 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.832 118.3 52.4 -47.4 -40.9 -21.0 60.7 56.5 50 49 F L G 3 S+ 0 0 111 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.619 105.7 54.4 -82.6 -5.5 -17.5 59.6 57.4 51 50 F D G < S+ 0 0 17 -3,-2.5 481,-2.5 1,-0.1 2,-0.5 0.323 95.1 75.6-104.1 4.8 -18.5 55.9 57.5 52 51 F F E < +G 531 0B 10 -3,-1.0 2,-0.5 -4,-0.3 479,-0.2 -0.904 51.2 177.4-128.9 106.3 -20.0 55.6 54.1 53 52 F Y E +G 530 0B 54 477,-3.2 477,-1.9 -2,-0.5 3,-0.1 -0.930 11.1 167.7-108.6 120.2 -18.0 55.4 50.8 54 53 F Y - 0 0 67 -2,-0.5 475,-0.2 475,-0.2 474,-0.1 -0.805 47.2 -61.3-124.9 171.9 -19.9 55.0 47.5 55 54 F P > - 0 0 5 0, 0.0 3,-1.7 0, 0.0 472,-0.2 -0.104 37.7-128.6 -65.2 150.5 -18.8 55.3 44.0 56 55 F S T 3 S+ 0 0 90 470,-1.0 471,-0.1 1,-0.3 470,-0.1 0.609 109.8 55.8 -69.4 -13.0 -17.6 58.7 42.9 57 56 F D T 3 S+ 0 0 65 469,-0.6 -1,-0.3 2,-0.1 2,-0.1 0.422 105.5 62.9 -93.3 -0.7 -20.0 58.5 39.9 58 57 F R S < S- 0 0 65 -3,-1.7 2,-0.2 -4,-0.0 41,-0.1 -0.394 80.3-113.9-115.6-173.0 -23.0 58.0 42.2 59 58 F T > - 0 0 55 -2,-0.1 3,-2.2 1,-0.0 -2,-0.1 -0.791 30.2 -93.6-130.5 177.1 -24.6 60.2 44.9 60 59 F D T 3 S+ 0 0 44 1,-0.3 -50,-0.5 -2,-0.2 -47,-0.2 0.476 112.9 75.4 -75.0 1.8 -25.3 60.5 48.6 61 60 F N T 3 + 0 0 57 -52,-0.1 -1,-0.3 -48,-0.1 38,-0.1 0.455 66.4 142.9 -84.0 1.9 -28.7 58.9 48.0 62 61 F Y < - 0 0 13 -3,-2.2 -52,-0.6 -7,-0.1 2,-0.4 -0.150 31.4-170.0 -49.0 124.9 -26.8 55.6 47.6 63 62 F L E -Ad 9 100A 5 36,-2.6 38,-2.0 -54,-0.1 2,-0.5 -0.991 11.2-162.4-131.1 123.1 -29.1 53.0 49.2 64 63 F I E -Ad 8 101A 0 -56,-2.7 -56,-2.7 -2,-0.4 2,-0.5 -0.946 5.0-172.1-114.7 129.1 -28.1 49.4 50.0 65 64 F I E -Ad 7 102A 0 36,-2.8 38,-2.4 -2,-0.5 2,-0.5 -0.979 1.2-171.3-125.2 119.2 -30.7 46.7 50.7 66 65 F E E -Ad 6 103A 7 -60,-3.1 -60,-2.8 -2,-0.5 2,-0.5 -0.963 4.8-167.6-110.5 131.8 -29.7 43.3 51.9 67 66 F I E -Ad 5 104A 0 36,-2.5 38,-3.1 -2,-0.5 2,-0.5 -0.958 3.5-164.6-121.9 125.8 -32.4 40.6 52.1 68 67 F I E +Ad 4 105A 7 -64,-2.9 -64,-2.8 -2,-0.5 2,-0.3 -0.949 26.0 151.9-115.0 125.2 -31.8 37.3 53.9 69 68 F X E -Ad 3 106A 4 36,-2.6 38,-2.4 -2,-0.5 -66,-0.2 -0.932 46.6 -76.2-149.0 166.7 -34.3 34.6 53.1 70 69 F F E - 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