==== 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 HYDROLASE 23-JUL-09 3IF0 . COMPND 2 MOLECULE: NEQ261; . SOURCE 2 ORGANISM_SCIENTIFIC: NANOARCHAEUM EQUITANS; . AUTHOR M.MITCHELL,H.LI . 149 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 14.1 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 15 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.7 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 0 1 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 1 X M 0 0 75 0, 0.0 22,-2.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -15.3 35.1 -10.9 13.1 2 2 X N E -A 22 0A 80 20,-0.2 2,-0.5 18,-0.0 20,-0.2 -0.947 360.0-157.1-105.1 117.2 38.7 -12.0 13.3 3 3 X L E -A 21 0A 6 18,-2.4 18,-3.1 -2,-0.6 2,-1.7 -0.858 16.0-154.3-103.7 125.0 39.2 -14.5 16.1 4 4 X R + 0 0 181 -2,-0.5 16,-0.1 16,-0.2 -1,-0.0 -0.637 63.2 114.8 -88.1 71.8 42.7 -14.9 17.6 5 5 X I S S- 0 0 12 -2,-1.7 -2,-0.1 5,-0.0 5,-0.1 -0.996 79.2 -89.4-148.5 137.7 41.6 -18.4 18.6 6 6 X P > - 0 0 72 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.208 39.3-121.8 -53.3 143.5 42.8 -21.8 17.6 7 7 X W G > >S+ 0 0 33 1,-0.3 5,-2.1 2,-0.2 3,-1.4 0.859 107.5 57.0 -58.4 -39.8 40.9 -23.0 14.6 8 8 X K G > 5S+ 0 0 133 1,-0.3 3,-1.4 3,-0.2 -1,-0.3 0.774 96.7 62.3 -67.6 -22.8 39.6 -26.2 16.2 9 9 X E G < 5S+ 0 0 61 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.611 103.8 49.3 -82.7 -9.8 37.9 -24.3 19.1 10 10 X V G X 5S- 0 0 0 -3,-1.4 3,-2.0 -4,-0.5 -1,-0.3 -0.114 123.4-104.6-110.3 30.7 35.6 -22.6 16.6 11 11 X Y T < 5 - 0 0 54 -3,-1.4 66,-0.3 1,-0.3 -3,-0.2 0.587 64.4 -71.8 64.6 11.8 34.8 -25.9 15.0 12 12 X Y T 3 - 0 0 14 -2,-0.4 4,-2.9 55,-0.1 5,-0.2 -0.311 30.2-108.9 -80.1 165.2 31.4 -14.9 9.0 25 25 X E H > S+ 0 0 30 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.897 115.9 47.0 -63.4 -43.3 28.5 -13.6 11.2 26 26 X P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.886 115.7 45.9 -70.5 -34.9 26.3 -16.7 10.9 27 27 X E H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.943 114.8 47.7 -66.4 -46.2 29.1 -19.0 11.6 28 28 X L H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.899 106.3 58.2 -61.9 -39.5 30.2 -16.7 14.5 29 29 X L H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.930 107.0 48.5 -57.0 -44.4 26.7 -16.6 15.8 30 30 X F H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.892 108.8 52.6 -58.7 -43.3 26.8 -20.4 16.1 31 31 X V H >X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-0.6 0.950 108.0 52.5 -62.2 -43.4 30.1 -20.3 17.9 32 32 X L H 3< S+ 0 0 2 -4,-2.7 7,-0.3 1,-0.2 -1,-0.2 0.902 110.0 45.8 -56.3 -47.1 28.7 -17.9 20.4 33 33 X R H 3< S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.679 121.1 38.6 -77.9 -13.8 25.7 -20.0 21.3 34 34 X N H << S+ 0 0 55 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.638 118.1 45.5-109.3 -18.9 27.7 -23.2 21.6 35 35 X K >X + 0 0 50 -4,-2.8 4,-1.2 -5,-0.2 3,-0.5 -0.749 62.3 169.8-122.0 84.3 30.9 -21.9 23.2 36 36 X P H 3> S+ 0 0 71 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.821 78.1 57.2 -63.6 -33.2 29.6 -19.6 26.1 37 37 X Q H 3> S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.798 107.1 48.9 -70.2 -29.7 33.1 -19.3 27.6 38 38 X I H <4 S+ 0 0 0 -3,-0.5 -1,-0.2 2,-0.2 5,-0.2 0.751 97.4 69.8 -76.7 -25.0 34.3 -18.0 24.2 39 39 X K H X>S+ 0 0 41 -4,-1.2 5,-0.9 -7,-0.3 4,-0.6 0.819 110.5 34.0 -62.3 -26.5 31.4 -15.6 24.2 40 40 X D H <5S+ 0 0 90 -4,-0.7 -2,-0.2 2,-0.3 -1,-0.2 0.866 105.0 64.6 -93.7 -48.2 33.2 -13.8 27.0 41 41 X R T <5S+ 0 0 146 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.492 124.1 27.7 -54.5 3.2 36.8 -14.4 26.0 42 42 X L T 45S- 0 0 56 -4,-0.1 -2,-0.3 -5,-0.1 -1,-0.3 0.440 94.8-153.4-133.6 -24.9 35.4 -12.2 23.3 43 43 X K T <5 + 0 0 164 -4,-0.6 2,-0.3 -5,-0.2 -3,-0.2 0.765 44.7 134.6 52.5 35.0 32.6 -10.3 25.1 44 44 X L < - 0 0 50 -5,-0.9 2,-0.3 3,-0.0 -1,-0.2 -0.779 49.7-125.0-107.6 158.6 30.5 -9.7 22.1 45 45 X D > - 0 0 78 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.811 8.4-136.7-107.2 143.5 26.7 -10.2 22.0 46 46 X E H > S+ 0 0 26 -2,-0.3 4,-0.8 1,-0.2 5,-0.1 0.451 106.3 67.3 -76.5 0.2 24.6 -12.3 19.5 47 47 X K H > S+ 0 0 115 3,-0.1 4,-2.1 2,-0.1 -1,-0.2 0.893 106.4 39.3 -74.2 -46.1 22.3 -9.3 19.4 48 48 X T H > S+ 0 0 65 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.870 118.3 45.7 -72.9 -39.9 25.0 -7.3 17.7 49 49 X I H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.920 114.6 47.9 -72.2 -44.2 26.3 -10.1 15.4 50 50 X I H X S+ 0 0 43 -4,-0.8 4,-2.4 1,-0.2 5,-0.3 0.936 109.8 56.2 -51.8 -49.3 22.8 -11.2 14.4 51 51 X K H X S+ 0 0 126 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.860 113.5 37.7 -54.4 -41.8 22.1 -7.5 13.8 52 52 X E H X S+ 0 0 78 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.733 110.5 60.7 -85.7 -24.7 25.0 -7.2 11.3 53 53 X G H >X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 3,-0.7 0.959 105.8 46.9 -64.9 -49.2 24.5 -10.6 9.8 54 54 X V H 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.871 109.5 55.3 -61.5 -36.2 21.1 -9.7 8.6 55 55 X K H 3< S+ 0 0 173 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.833 116.2 38.2 -63.7 -29.1 22.4 -6.4 7.3 56 56 X K H << S+ 0 0 128 -4,-1.2 2,-0.5 -3,-0.7 -2,-0.2 0.853 119.1 36.7 -95.8 -38.2 25.0 -8.4 5.2 57 57 X Y >< - 0 0 37 -4,-3.0 3,-1.6 1,-0.1 -1,-0.2 -0.967 57.3-153.5-123.8 123.5 23.2 -11.5 4.0 58 58 X K T 3 S+ 0 0 167 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.848 104.5 45.1 -56.9 -31.1 19.6 -11.6 2.9 59 59 X N T 3> S+ 0 0 23 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 -0.043 74.2 133.8-106.4 33.4 19.7 -15.3 3.8 60 60 X F H <> S+ 0 0 2 -3,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.896 73.0 45.1 -46.1 -56.9 21.5 -14.9 7.2 61 61 X W H > S+ 0 0 92 -3,-0.3 4,-3.1 1,-0.2 5,-0.2 0.880 111.6 52.8 -62.4 -39.3 19.2 -17.2 9.2 62 62 X E H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 111.5 46.5 -63.4 -43.3 19.2 -19.8 6.5 63 63 X I H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.950 113.7 49.0 -58.1 -53.0 23.0 -19.8 6.5 64 64 X Y H X S+ 0 0 5 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.942 113.3 45.9 -52.4 -54.2 23.1 -19.9 10.4 65 65 X Y H X S+ 0 0 68 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.838 114.3 47.8 -63.1 -34.8 20.6 -22.8 10.6 66 66 X T H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.930 112.3 48.2 -73.6 -44.6 22.3 -24.8 7.9 67 67 X V H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.956 114.4 49.4 -53.3 -46.1 25.8 -24.3 9.5 68 68 X K H X S+ 0 0 67 -4,-2.9 4,-2.7 -5,-0.3 5,-0.2 0.943 111.8 45.2 -62.1 -51.4 24.3 -25.3 12.8 69 69 X D H X S+ 0 0 50 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.933 116.8 46.2 -58.9 -45.0 22.6 -28.4 11.5 70 70 X L H <>S+ 0 0 5 -4,-2.6 5,-2.2 2,-0.2 4,-0.4 0.897 113.5 46.8 -68.6 -41.2 25.7 -29.5 9.6 71 71 X I H ><5S+ 0 0 16 -4,-3.0 3,-1.5 -5,-0.3 -2,-0.2 0.948 113.6 48.7 -69.4 -43.5 28.2 -28.8 12.4 72 72 X L H 3<5S+ 0 0 110 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.853 104.9 58.4 -64.6 -33.4 26.0 -30.6 14.9 73 73 X R T 3<5S- 0 0 146 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.584 124.9-106.8 -66.5 -11.6 25.6 -33.6 12.6 74 74 X G T < 5S+ 0 0 35 -3,-1.5 16,-0.5 -4,-0.4 -3,-0.2 0.463 76.5 134.6 99.4 -0.4 29.4 -33.8 12.7 75 75 X Y < - 0 0 50 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.342 53.5-125.7 -74.7 162.8 30.2 -32.4 9.3 76 76 X R E +C 87 0B 57 11,-1.7 11,-3.0 12,-0.2 2,-0.3 -0.953 36.0 173.7-110.8 132.5 32.8 -29.8 8.7 77 77 X V E -C 86 0B 0 -2,-0.5 2,-0.3 -66,-0.3 9,-0.2 -0.915 22.6-166.2-137.2 162.8 31.8 -26.6 6.9 78 78 X R E -C 85 0B 34 7,-1.4 7,-3.2 -2,-0.3 2,-0.5 -0.937 23.0-132.4-148.2 127.6 33.0 -23.3 5.9 79 79 X F E -C 84 0B 6 -2,-0.3 5,-0.2 5,-0.2 -55,-0.1 -0.692 15.3-168.0 -79.8 121.3 30.9 -20.4 4.6 80 80 X D - 0 0 35 3,-3.4 4,-0.1 -2,-0.5 -1,-0.1 0.447 53.9 -94.3 -89.3 3.3 32.4 -18.9 1.5 81 81 X G S S+ 0 0 35 2,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.150 118.8 24.6 104.7 -20.2 30.2 -15.8 1.3 82 82 X F S S+ 0 0 67 1,-0.6 2,-0.3 20,-0.0 -1,-0.1 0.412 123.4 35.8-135.4 -66.9 27.7 -17.4 -1.0 83 83 X F S S- 0 0 0 20,-0.1 -3,-3.4 -3,-0.0 2,-0.6 -0.682 72.3-127.2 -91.2 150.8 27.9 -21.2 -0.6 84 84 X I E -CD 79 102B 0 18,-2.9 18,-3.2 -2,-0.3 2,-0.5 -0.878 27.9-136.0 -86.0 122.2 28.5 -23.3 2.4 85 85 X E E -CD 78 101B 8 -7,-3.2 -7,-1.4 -2,-0.6 2,-0.6 -0.720 19.8-153.9 -79.6 119.8 31.4 -25.6 1.6 86 86 X L E -CD 77 100B 14 14,-3.3 13,-2.4 -2,-0.5 14,-1.5 -0.875 15.0-179.1-105.0 122.8 30.5 -29.1 3.0 87 87 X Y E -C 76 0B 1 -11,-3.0 -11,-1.7 -2,-0.6 3,-0.1 -0.867 33.3 -96.0-116.6 153.5 33.2 -31.5 3.9 88 88 X E > - 0 0 93 -2,-0.3 3,-1.6 -13,-0.2 -12,-0.2 -0.105 57.7 -78.8 -55.0 157.6 33.0 -35.1 5.2 89 89 X K T 3 S+ 0 0 81 1,-0.2 -14,-0.2 -14,-0.1 -1,-0.1 -0.303 118.4 23.5 -58.6 142.7 33.2 -35.7 9.0 90 90 X G T 3 S+ 0 0 59 -16,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.291 94.0 122.2 84.3 -12.0 36.8 -35.5 10.3 91 91 X I < - 0 0 39 -3,-1.6 -1,-0.2 -15,-0.0 -4,-0.1 -0.634 58.4-135.9 -87.1 143.2 38.1 -33.3 7.4 92 92 X I > - 0 0 59 -2,-0.3 3,-1.5 -3,-0.1 4,-0.4 -0.868 34.6-109.5 -94.6 125.9 39.7 -30.0 7.9 93 93 X P T 3 S+ 0 0 4 0, 0.0 4,-0.1 0, 0.0 -16,-0.1 -0.134 100.9 21.2 -53.7 145.1 38.3 -27.4 5.4 94 94 X G T 3 S+ 0 0 45 2,-0.7 3,-0.1 1,-0.1 -79,-0.0 0.071 99.0 96.9 85.8 -24.0 40.7 -26.2 2.7 95 95 X T S < S- 0 0 94 -3,-1.5 2,-0.3 2,-0.0 -1,-0.1 0.799 104.1 -4.1 -68.5 -34.0 42.8 -29.4 3.3 96 96 X I S S- 0 0 85 -4,-0.4 -2,-0.7 0, 0.0 2,-0.2 -0.849 100.0 -75.4-141.1 177.8 40.9 -31.0 0.4 97 97 X E - 0 0 149 -2,-0.3 -2,-0.0 1,-0.1 3,-0.0 -0.517 55.5-101.6 -74.8 151.1 38.1 -29.7 -1.8 98 98 X Q - 0 0 15 -2,-0.2 -11,-0.2 1,-0.1 31,-0.2 -0.290 18.2-133.6 -63.0 155.1 34.6 -29.7 -0.3 99 99 X D S S+ 0 0 63 -13,-2.4 30,-0.8 1,-0.2 2,-0.4 0.906 86.0 13.1 -72.1 -45.1 32.2 -32.5 -1.3 100 100 X Y E -De 86 129B 50 -14,-1.5 -14,-3.3 28,-0.1 2,-0.6 -0.967 57.9-141.3-131.4 150.0 29.4 -30.0 -1.9 101 101 X L E -De 85 130B 0 28,-2.5 30,-2.2 -2,-0.4 2,-0.5 -0.964 35.2-158.5 -97.0 119.7 28.7 -26.4 -2.3 102 102 X V E -De 84 131B 0 -18,-3.2 -18,-2.9 -2,-0.6 30,-0.2 -0.866 11.1-156.4-108.4 134.5 25.5 -25.9 -0.5 103 103 X Y E - 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