==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAR-08 2ZK9 . COMPND 2 MOLECULE: PROTEIN-GLUTAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHRYSEOBACTERIUM PROTEOLYTICUM; . AUTHOR R.HASHIZUME . 185 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 20.5 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 L 0 0 146 0, 0.0 2,-0.4 0, 0.0 57,-0.2 0.000 360.0 360.0 360.0 123.2 36.7 34.2 70.0 2 2 X A B -a 58 0A 38 55,-2.0 57,-2.3 1,-0.1 3,-0.0 -0.944 360.0-161.7-116.3 131.5 34.0 36.7 70.9 3 3 X S S S+ 0 0 84 -2,-0.4 86,-0.6 55,-0.2 2,-0.5 0.594 80.5 60.0 -82.0 -16.3 33.6 38.7 74.2 4 4 X V E S-b 89 0B 50 84,-0.1 86,-0.3 56,-0.1 -1,-0.1 -0.980 79.1-136.4-121.5 124.0 29.9 39.5 73.5 5 5 X I E -b 90 0B 0 84,-2.9 86,-2.3 -2,-0.5 6,-0.1 -0.508 21.6-130.2 -73.3 138.2 27.2 36.9 73.0 6 6 X P S S- 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.741 71.8 -9.3 -72.9 -23.1 25.0 37.9 70.1 7 7 X D > - 0 0 68 1,-0.1 4,-2.1 88,-0.0 85,-0.2 -0.976 68.3 -98.9-165.1 167.8 21.5 37.6 71.6 8 8 X V H > S+ 0 0 67 -2,-0.3 4,-2.9 83,-0.3 5,-0.3 0.858 117.0 62.8 -71.2 -29.1 19.5 36.3 74.6 9 9 X A H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 107.8 44.7 -59.3 -40.5 18.6 33.1 72.8 10 10 X T H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.904 110.4 53.6 -71.0 -42.2 22.3 32.3 72.7 11 11 X L H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.933 111.0 47.4 -55.5 -43.5 22.8 33.4 76.4 12 12 X N H X S+ 0 0 77 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.905 111.0 49.8 -67.9 -39.9 20.0 31.0 77.3 13 13 X S H X S+ 0 0 57 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.922 110.3 52.4 -57.6 -44.6 21.5 28.2 75.3 14 14 X L H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.901 109.4 48.5 -57.0 -48.8 24.8 29.0 77.0 15 15 X F H X S+ 0 0 6 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.900 110.9 50.2 -60.3 -48.3 23.1 28.7 80.5 16 16 X N H X S+ 0 0 92 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.894 107.3 53.8 -61.5 -40.7 21.4 25.4 79.6 17 17 X Q H < S+ 0 0 54 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.912 111.8 45.6 -59.2 -42.7 24.7 23.9 78.4 18 18 X I H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.941 112.2 50.1 -64.5 -47.6 26.3 24.9 81.7 19 19 X K H >< S+ 0 0 80 -4,-2.9 3,-2.0 1,-0.3 -2,-0.2 0.875 102.5 62.3 -62.3 -35.1 23.4 23.5 83.8 20 20 X N T 3< S+ 0 0 80 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.674 98.8 56.7 -63.6 -17.9 23.5 20.3 81.8 21 21 X E T < S+ 0 0 44 -3,-1.7 12,-3.0 -4,-0.4 -1,-0.3 0.305 80.4 127.5 -94.4 7.7 27.0 19.7 83.1 22 22 X S B X -h 33 0C 15 -3,-2.0 3,-1.6 10,-0.2 6,-0.3 -0.388 68.9-110.4 -67.3 139.7 25.9 19.9 86.8 23 23 X a T 3 S+ 0 0 10 10,-2.8 13,-0.2 1,-0.2 3,-0.1 -0.374 106.7 46.3 -60.9 140.0 26.9 17.1 89.1 24 24 X G T 3 S+ 0 0 65 1,-0.4 2,-0.4 -3,-0.1 -1,-0.2 0.356 93.4 107.9 102.0 -7.5 23.7 15.2 90.0 25 25 X T X - 0 0 56 -3,-1.6 3,-0.8 1,-0.1 -1,-0.4 -0.870 67.5-143.1-110.3 149.8 22.5 15.1 86.4 26 26 X S T 3 S+ 0 0 130 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.542 100.3 64.9 -68.6 -22.7 22.3 12.3 84.0 27 27 X T T 3 S+ 0 0 72 -5,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.659 79.3 108.9 -84.7 -8.2 23.3 14.7 81.3 28 28 X A < - 0 0 30 -3,-0.8 2,-0.2 -6,-0.3 -7,-0.2 -0.383 52.8-147.8 -88.3 145.5 26.9 15.6 82.5 29 29 X S - 0 0 77 2,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.519 50.7 -45.5 -89.0 164.9 30.2 14.7 81.1 30 30 X S S S+ 0 0 121 1,-0.2 -1,-0.1 -2,-0.2 2,-0.1 -0.586 124.9 26.1 -76.7 137.2 33.3 14.1 83.2 31 31 X P S S- 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.645 86.5-151.2 -76.7 143.7 34.1 15.9 85.4 32 32 X a - 0 0 28 -4,-0.1 2,-0.5 131,-0.1 -10,-0.2 -0.340 28.0-101.2 -72.2 156.5 30.7 17.3 86.3 33 33 X I B -h 22 0C 0 -12,-3.0 -10,-2.8 -15,-0.2 2,-1.9 -0.738 28.1-137.1 -87.9 124.0 30.5 20.8 87.7 34 34 X T > + 0 0 0 -2,-0.5 3,-2.2 1,-0.2 -1,-0.1 -0.211 51.3 142.6 -82.8 47.4 30.1 20.6 91.5 35 35 X F T 3 + 0 0 11 -2,-1.9 -1,-0.2 1,-0.3 -13,-0.1 0.828 67.8 62.4 -58.7 -32.9 27.5 23.4 91.8 36 36 X R T 3 S+ 0 0 97 -3,-0.4 135,-2.9 1,-0.2 -1,-0.3 0.506 96.0 64.9 -71.5 -6.6 25.7 21.3 94.6 37 37 X Y X + 0 0 0 -3,-2.2 3,-0.6 133,-0.3 -1,-0.2 -0.808 58.7 166.6-117.5 84.7 28.8 21.6 96.7 38 38 X P T 3 + 0 0 3 0, 0.0 4,-0.1 0, 0.0 134,-0.1 0.479 50.4 95.6 -81.6 0.1 29.2 25.2 97.6 39 39 X V T 3 S- 0 0 11 132,-0.7 2,-0.3 1,-0.1 138,-0.1 0.880 101.1 -30.4 -57.4 -43.1 31.8 24.8 100.3 40 40 X D S < S+ 0 0 66 -3,-0.6 -1,-0.1 136,-0.1 -3,-0.1 -0.922 98.5 80.4-161.1-179.3 34.7 25.4 98.0 41 41 X G >> + 0 0 0 -2,-0.3 4,-2.5 -3,-0.1 3,-0.6 0.551 47.0 139.0 83.7 14.6 36.0 25.1 94.5 42 42 X C H 3> S+ 0 0 7 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.865 71.1 57.1 -56.8 -38.6 34.2 28.2 93.1 43 43 X Y H 3> S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.883 109.1 45.1 -59.7 -43.3 37.3 29.0 91.1 44 44 X A H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 5,-0.2 0.905 111.5 51.8 -69.9 -42.6 37.2 25.7 89.3 45 45 X R H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 111.7 47.9 -58.6 -43.0 33.4 25.9 88.7 46 46 X A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.909 111.4 48.7 -65.6 -41.6 33.9 29.3 87.1 47 47 X H H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.864 111.0 51.0 -69.8 -31.6 36.8 28.2 84.9 48 48 X K H X S+ 0 0 25 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.892 108.3 51.8 -70.4 -39.5 34.8 25.2 83.8 49 49 X M H X S+ 0 0 3 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.919 108.6 52.1 -59.2 -41.8 31.8 27.4 82.9 50 50 X R H X S+ 0 0 20 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.900 103.8 57.0 -61.6 -38.4 34.2 29.5 80.9 51 51 X Q H X S+ 0 0 52 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.886 105.1 51.7 -60.2 -40.5 35.4 26.4 79.0 52 52 X I H X S+ 0 0 14 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.937 110.1 48.4 -63.1 -43.4 31.8 25.7 78.0 53 53 X L H ><>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 3,-0.8 0.946 111.9 49.9 -60.1 -43.8 31.5 29.3 76.7 54 54 X M H ><5S+ 0 0 71 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.867 101.8 60.2 -65.7 -35.9 34.8 28.9 74.8 55 55 X N H 3<5S+ 0 0 125 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.844 108.2 48.1 -54.1 -34.4 33.7 25.6 73.3 56 56 X N T <<5S- 0 0 63 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.323 128.4 -99.0 -87.7 0.2 30.9 27.8 71.8 57 57 X G T < 5S+ 0 0 35 -3,-2.0 -55,-2.0 1,-0.3 2,-0.3 0.664 86.4 113.3 87.7 19.9 33.3 30.5 70.5 58 58 X Y B < -a 2 0A 40 -5,-2.4 -1,-0.3 -57,-0.2 2,-0.2 -0.910 44.4-163.8-122.3 152.1 32.8 33.0 73.4 59 59 X D - 0 0 25 -57,-2.3 30,-0.3 -2,-0.3 2,-0.3 -0.688 11.8-172.2-116.1 176.8 34.8 34.4 76.3 60 60 X C - 0 0 10 -2,-0.2 79,-1.4 28,-0.1 2,-0.2 -0.890 22.7-103.8-150.7 175.9 33.6 36.2 79.4 61 61 X E E -CD 87 138B 49 26,-2.7 26,-2.7 -2,-0.3 2,-0.4 -0.617 26.5-129.2 -94.5 169.9 34.8 38.0 82.4 62 62 X K E -CD 86 137B 0 75,-2.3 75,-2.5 24,-0.3 2,-0.5 -0.925 12.6-153.1-104.2 147.6 35.1 36.8 86.0 63 63 X Q E -CD 85 136B 0 22,-2.2 22,-1.5 -2,-0.4 2,-0.4 -0.996 10.2-165.0-116.3 128.5 33.6 38.8 88.9 64 64 X F E -CD 84 135B 0 71,-2.9 71,-2.5 -2,-0.5 2,-0.4 -0.919 2.6-168.1-103.9 134.3 35.3 38.2 92.2 65 65 X V E -CD 83 134B 0 18,-2.6 18,-2.3 -2,-0.4 2,-0.3 -0.968 5.3-167.4-124.5 142.6 33.6 39.3 95.4 66 66 X Y E +CD 82 133B 4 67,-2.7 66,-2.7 -2,-0.4 67,-1.5 -0.938 31.8 71.5-130.8 145.5 35.4 39.5 98.8 67 67 X G E S- D 0 131B 19 14,-2.1 2,-1.3 -2,-0.3 64,-0.2 -0.990 92.4 -29.3 157.3-158.5 34.3 39.9 102.4 68 68 X N E S- D 0 130B 74 62,-1.7 62,-2.0 -2,-0.3 2,-0.3 -0.767 79.9-173.5 -89.3 79.3 32.5 38.3 105.3 69 69 X L E +C 80 0B 0 11,-2.1 11,-2.0 -2,-1.3 2,-0.3 -0.604 18.0 178.5 -92.9 147.4 30.5 36.2 102.8 70 70 X K E +Ce 79 122B 36 51,-2.1 53,-2.8 -2,-0.3 2,-0.3 -0.993 2.5 177.4-144.7 135.5 27.6 33.9 103.6 71 71 X A E -C 78 0B 1 7,-2.2 7,-2.7 -2,-0.3 2,-0.4 -0.986 13.5-149.2-142.4 151.0 25.4 31.9 101.2 72 72 X S E -C 77 0B 32 48,-0.3 5,-0.2 -2,-0.3 54,-0.0 -0.925 12.7-160.8-119.5 144.9 22.6 29.4 101.6 73 73 X T - 0 0 64 3,-2.4 4,-0.1 -2,-0.4 -1,-0.1 0.414 63.4 -93.8 -90.0 -7.8 21.5 26.5 99.4 74 74 X G S S+ 0 0 72 2,-0.4 3,-0.1 0, 0.0 -2,-0.0 0.111 122.4 39.4 102.4 -17.0 18.0 26.4 100.9 75 75 X T S S+ 0 0 129 1,-0.4 2,-0.3 0, 0.0 -3,-0.0 0.554 119.9 22.7-133.0 -15.0 18.9 23.8 103.5 76 76 X b - 0 0 33 2,-0.0 -3,-2.4 95,-0.0 -2,-0.4 -0.974 65.4-126.1-149.5 164.2 22.4 24.8 104.8 77 77 X c E -C 72 0B 60 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.826 13.7-167.0-108.6 146.5 24.9 27.7 105.0 78 78 X V E -C 71 0B 14 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.4 -0.928 11.4-145.3-126.1 155.1 28.4 28.2 103.9 79 79 X A E +C 70 0B 70 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.967 21.3 179.7-118.7 139.5 30.8 31.0 104.8 80 80 X W E -C 69 0B 27 -11,-2.0 -11,-2.1 -2,-0.4 3,-0.1 -0.954 35.4-151.7-136.0 154.2 33.4 32.3 102.4 81 81 X S E S+ 0 0 90 -2,-0.3 -14,-2.1 1,-0.3 2,-0.3 0.627 91.2 0.7 -93.6 -21.9 36.2 34.9 102.2 82 82 X Y E -C 66 0B 35 -16,-0.2 -1,-0.3 -13,-0.1 2,-0.3 -0.973 61.6-163.3-153.8 163.1 35.6 35.3 98.5 83 83 X H E -C 65 0B 0 -18,-2.3 -18,-2.6 -2,-0.3 2,-0.3 -0.966 6.8-166.0-144.8 160.5 33.5 34.0 95.7 84 84 X V E +C 64 0B 3 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.995 12.3 160.5-145.9 147.3 33.7 34.0 91.9 85 85 X A E -C 63 0B 0 -22,-1.5 -22,-2.2 -2,-0.3 2,-0.3 -0.907 45.1 -80.4-152.0 176.2 31.5 33.4 88.9 86 86 X I E -CF 62 102B 0 16,-1.2 16,-2.2 -2,-0.3 2,-0.6 -0.701 30.1-154.0 -88.2 140.7 31.4 34.2 85.2 87 87 X L E -CF 61 101B 2 -26,-2.7 -26,-2.7 -2,-0.3 2,-0.4 -0.961 18.5-162.3-116.0 104.0 30.2 37.6 84.1 88 88 X V E - F 0 100B 0 12,-3.0 12,-2.2 -2,-0.6 2,-0.4 -0.754 8.3-150.3 -99.9 133.4 28.8 37.3 80.5 89 89 X S E +bF 4 99B 15 -86,-0.6 -84,-2.9 -2,-0.4 2,-0.3 -0.872 25.3 164.5-100.0 139.5 28.2 40.1 78.1 90 90 X Y E -bF 5 98B 17 8,-2.4 8,-2.7 -2,-0.4 2,-0.5 -0.980 39.0-105.7-150.2 157.5 25.4 39.8 75.5 91 91 X K E - F 0 97B 98 -86,-2.3 -83,-0.3 -2,-0.3 6,-0.2 -0.752 35.5-142.8 -85.9 127.0 23.4 41.9 73.1 92 92 X N > - 0 0 35 4,-3.0 3,-2.1 -2,-0.5 -1,-0.1 -0.042 41.1 -76.6 -78.4-176.1 19.8 42.6 74.2 93 93 X A T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.732 133.6 43.1 -58.3 -21.7 16.8 42.7 71.9 94 94 X S T 3 S- 0 0 96 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.133 123.6 -99.2-112.5 16.3 17.7 46.2 70.6 95 95 X G S < S+ 0 0 47 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.609 77.8 136.1 85.1 14.6 21.4 45.5 70.2 96 96 X V - 0 0 81 1,-0.0 -4,-3.0 0, 0.0 2,-0.3 -0.785 55.6-116.3 -99.6 135.5 22.6 47.1 73.5 97 97 X T E +F 91 0B 70 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.509 37.6 170.6 -77.1 133.6 25.1 45.2 75.6 98 98 X E E -F 90 0B 70 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.4 -0.855 20.9-135.7-128.7 166.3 24.2 44.0 79.0 99 99 X K E +F 89 0B 86 -2,-0.3 2,-0.3 -10,-0.2 15,-0.3 -0.974 18.5 178.6-128.8 146.8 26.0 41.7 81.5 100 100 X R E -F 88 0B 57 -12,-2.2 -12,-3.0 -2,-0.4 2,-0.3 -0.997 26.1-123.6-140.6 147.7 24.8 38.9 83.7 101 101 X I E -FG 87 112B 0 11,-3.0 11,-2.3 -2,-0.3 2,-0.5 -0.682 16.5-155.3 -79.9 139.7 26.3 36.5 86.1 102 102 X I E +F 86 0B 0 -16,-2.2 -16,-1.2 -2,-0.3 6,-0.1 -0.987 33.6 144.5-111.0 118.8 25.9 32.8 85.5 103 103 X D >> - 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