==== 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 30-JUL-09 3A55 . COMPND 2 MOLECULE: PROTEIN-GLUTAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHRYSEOBACTERIUM PROTEOLYTICUM; . AUTHOR R.HASHIZUME,S.YAMAGUCHI,B.MIKAMI . 559 3 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 23.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 35 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0 0 2 0 1 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 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 . 6 1 2 3 5 3 0 1 0 2 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 4 2 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 20 A K 0 0 226 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.4 -8.6 -5.3 -52.6 2 21 A L - 0 0 67 59,-0.1 2,-0.5 1,-0.1 59,-0.2 -0.513 360.0-119.1 -78.0 149.8 -8.2 -1.5 -52.2 3 22 A K E -A 60 0A 103 57,-3.4 57,-3.0 -2,-0.2 2,-0.8 -0.778 22.5-126.8 -88.3 126.1 -9.0 0.2 -49.0 4 23 A D E +A 59 0A 82 -2,-0.5 55,-0.2 55,-0.2 3,-0.1 -0.638 28.2 178.5 -75.1 109.9 -11.8 2.9 -49.2 5 24 A F E - 0 0 41 53,-2.3 54,-0.2 -2,-0.8 -1,-0.2 0.609 35.4-139.2 -87.9 -14.5 -10.3 6.0 -47.7 6 25 A G E -A 58 0A 20 52,-0.9 52,-2.7 -3,-0.1 2,-0.3 -0.429 39.0 -27.8 87.6-164.2 -13.5 8.0 -48.4 7 26 A K E +A 57 0A 79 50,-0.2 2,-0.3 -2,-0.1 50,-0.2 -0.689 66.4 145.4 -94.1 140.7 -13.9 11.6 -49.6 8 27 A T E -A 56 0A 10 48,-2.2 48,-2.6 -2,-0.3 73,-0.0 -0.957 45.4-107.4-159.9 171.9 -11.4 14.3 -49.1 9 28 A V - 0 0 0 -2,-0.3 16,-2.5 46,-0.2 2,-0.2 -0.953 28.4-138.6-112.1 117.9 -9.9 17.4 -50.7 10 29 A P E -C 24 0B 0 0, 0.0 14,-0.3 0, 0.0 43,-0.2 -0.550 20.8-180.0 -72.6 142.7 -6.3 17.2 -51.9 11 30 A V E + 0 0 19 12,-2.7 2,-0.3 1,-0.3 13,-0.2 0.406 59.5 24.3-124.3 -3.2 -4.3 20.3 -51.1 12 31 A G E -C 23 0B 12 11,-1.3 11,-2.3 2,-0.0 2,-0.4 -0.973 46.5-169.5-162.2 144.5 -0.8 19.6 -52.6 13 32 A I E +C 22 0B 40 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.945 20.5 171.1-139.8 119.1 0.9 17.5 -55.2 14 33 A D E -C 21 0B 87 7,-2.8 7,-3.3 -2,-0.4 2,-0.3 -0.990 26.3-133.7-136.1 121.9 4.7 17.4 -55.1 15 34 A E E +C 20 0B 153 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.599 31.0 165.3 -79.7 135.8 7.1 15.2 -57.0 16 35 A E E > -C 19 0B 56 3,-3.1 3,-2.4 -2,-0.3 -2,-0.0 -0.945 59.4 -24.6-150.8 134.2 10.0 13.5 -55.2 17 36 A N T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.801 125.4 -40.8 31.4 61.6 12.4 10.7 -56.2 18 37 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 16,-0.0 -1,-0.3 0.485 124.0 90.6 77.9 3.6 10.2 8.9 -58.8 19 38 A M E < S-C 16 0B 32 -3,-2.4 -3,-3.1 15,-0.1 2,-0.6 -0.979 71.3-128.5-135.9 148.1 7.0 9.3 -56.8 20 39 A I E -CD 15 33B 10 13,-2.3 13,-2.1 -2,-0.4 2,-0.5 -0.814 22.6-148.9 -95.2 123.3 4.3 11.9 -56.5 21 40 A K E -CD 14 32B 28 -7,-3.3 -7,-2.8 -2,-0.6 2,-0.4 -0.843 12.9-163.6 -96.7 125.1 3.5 13.0 -53.0 22 41 A V E -CD 13 31B 0 9,-2.8 9,-2.8 -2,-0.5 2,-0.3 -0.903 3.2-162.8-112.8 133.2 -0.1 14.0 -52.4 23 42 A S E -CD 12 30B 7 -11,-2.3 -12,-2.7 -2,-0.4 -11,-1.3 -0.889 8.0-162.7-111.8 147.8 -1.3 16.0 -49.3 24 43 A F E -C 10 0B 0 5,-0.5 152,-0.1 3,-0.4 5,-0.0 -0.850 31.7 -79.9-126.1 163.1 -4.9 16.2 -48.2 25 44 A M S S- 0 0 15 -16,-2.5 2,-2.5 -2,-0.3 -1,-0.1 -0.263 105.0 -3.6 -59.0 143.9 -7.0 18.5 -45.9 26 45 A L S S+ 0 0 23 213,-0.1 112,-0.3 2,-0.1 110,-0.2 -0.328 106.6 95.3 75.2 -61.4 -6.7 18.0 -42.2 27 46 A T - 0 0 15 -2,-2.5 -3,-0.4 1,-0.1 108,-0.1 -0.379 62.2-153.1 -61.3 137.9 -4.4 14.9 -42.2 28 47 A Q + 0 0 0 148,-0.1 148,-2.2 -5,-0.1 149,-0.5 0.427 62.8 105.0 -86.7 -2.4 -0.7 15.8 -41.8 29 48 A Q - 0 0 12 146,-0.2 -5,-0.5 147,-0.1 2,-0.3 -0.505 66.8-129.2 -86.1 148.9 0.4 12.7 -43.6 30 49 A F E -D 23 0B 21 144,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.727 18.9-161.6 -87.8 144.4 1.7 12.4 -47.2 31 50 A Y E -D 22 0B 6 -9,-2.8 -9,-2.8 -2,-0.3 2,-0.3 -0.802 11.0-143.6-115.6 160.1 0.2 9.9 -49.6 32 51 A E E -De 21 66B 60 33,-2.4 35,-3.2 -2,-0.3 2,-0.3 -0.949 16.0-174.6-129.8 151.5 2.0 8.7 -52.7 33 52 A I E -D 20 0B 0 -13,-2.1 -13,-2.3 -2,-0.3 35,-0.1 -0.989 27.8-123.0-140.3 137.6 1.1 7.7 -56.2 34 53 A K - 0 0 76 -2,-0.3 2,-2.1 33,-0.3 -15,-0.1 -0.625 21.7-125.4 -81.6 135.0 3.4 6.3 -58.9 35 54 A P + 0 0 66 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.456 58.6 143.6 -79.8 70.7 3.6 8.2 -62.1 36 55 A T >> - 0 0 53 -2,-2.1 3,-1.0 1,-0.1 4,-0.5 -0.651 66.5-107.9-105.1 162.5 2.8 5.3 -64.4 37 56 A K G >4 S+ 0 0 193 1,-0.3 3,-1.1 -2,-0.2 4,-0.3 0.893 121.2 53.2 -55.9 -38.3 0.7 5.3 -67.6 38 57 A E G 34 S+ 0 0 157 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.668 109.9 46.1 -74.7 -19.4 -2.1 3.5 -65.7 39 58 A N G <> S+ 0 0 8 -3,-1.0 4,-2.5 1,-0.1 -1,-0.3 0.407 83.3 102.7 -95.0 2.9 -2.1 6.2 -63.0 40 59 A E H S+ 0 0 138 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.922 112.6 52.4 -75.4 -40.2 -5.8 9.9 -65.2 42 61 A Y H > S+ 0 0 68 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.910 110.4 50.5 -56.3 -41.7 -5.9 9.5 -61.4 43 62 A I H X S+ 0 0 11 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.914 109.6 49.4 -65.4 -42.5 -3.0 11.9 -61.2 44 63 A G H X S+ 0 0 20 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.923 108.5 53.5 -61.9 -42.4 -4.7 14.5 -63.4 45 64 A M H X S+ 0 0 56 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.917 111.5 46.3 -55.7 -45.8 -7.8 14.2 -61.3 46 65 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.914 110.7 52.2 -63.8 -43.8 -5.7 15.0 -58.2 47 66 A R H X S+ 0 0 126 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.916 112.8 44.7 -60.1 -43.9 -3.9 17.9 -59.9 48 67 A Q H X S+ 0 0 91 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.888 112.6 51.2 -67.9 -37.9 -7.2 19.5 -60.9 49 68 A A H X>S+ 0 0 3 -4,-2.1 5,-2.1 -5,-0.2 4,-0.9 0.858 110.4 49.1 -69.4 -35.2 -8.7 18.9 -57.5 50 69 A V H ><5S+ 0 0 28 -4,-2.4 3,-0.6 3,-0.2 -2,-0.2 0.945 111.0 50.4 -65.0 -48.8 -5.7 20.5 -55.8 51 70 A K H 3<5S+ 0 0 51 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.922 122.5 31.6 -53.6 -46.6 -5.9 23.5 -58.1 52 71 A N H 3<5S- 0 0 96 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.397 103.2-122.5 -99.2 1.4 -9.6 24.0 -57.4 53 72 A E T <<5 + 0 0 39 -4,-0.9 -3,-0.2 -3,-0.6 -4,-0.1 0.955 60.9 150.6 51.4 57.4 -9.8 22.8 -53.8 54 73 A S < - 0 0 36 -5,-2.1 -1,-0.2 -44,-0.2 -2,-0.1 -0.863 45.3-105.0-121.3 150.1 -12.4 20.2 -54.8 55 74 A P + 0 0 10 0, 0.0 18,-0.6 0, 0.0 2,-0.3 -0.356 32.4 179.2 -75.7 155.6 -13.2 16.8 -53.3 56 75 A V E -AB 8 72A 6 -48,-2.6 -48,-2.2 16,-0.2 2,-0.5 -0.902 32.4-110.1-139.1 169.0 -12.3 13.3 -54.7 57 76 A H E -AB 7 71A 28 14,-3.1 14,-2.7 -2,-0.3 2,-0.4 -0.931 35.7-155.4-106.3 122.0 -12.8 9.8 -53.5 58 77 A I E -AB 6 70A 0 -52,-2.7 -53,-2.3 -2,-0.5 -52,-0.9 -0.810 13.2-172.6-106.1 136.0 -9.6 8.1 -52.5 59 78 A F E -AB 4 69A 22 10,-2.3 9,-2.8 -2,-0.4 10,-1.6 -0.994 14.1-155.6-124.5 131.8 -8.8 4.3 -52.4 60 79 A L E -AB 3 67A 10 -57,-3.0 -57,-3.4 -2,-0.4 7,-0.2 -0.798 23.6-108.3-109.2 149.3 -5.5 3.1 -50.9 61 80 A K > - 0 0 68 5,-3.0 3,-0.9 -2,-0.3 5,-0.3 -0.507 60.7 -86.2 -64.1 140.1 -3.4 0.0 -51.4 62 81 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.176 107.2 5.4 -55.8 142.0 -3.8 -2.1 -48.3 63 82 A N T 3 S+ 0 0 169 1,-0.2 2,-0.3 -3,-0.1 207,-0.1 0.841 117.3 84.7 57.9 39.0 -1.5 -1.3 -45.3 64 83 A S S < S- 0 0 27 -3,-0.9 -1,-0.2 2,-0.1 -4,-0.0 -0.972 80.8-121.6-157.7 170.1 0.1 1.7 -47.1 65 84 A N S S+ 0 0 44 -2,-0.3 -33,-2.4 205,-0.1 2,-0.5 0.084 74.2 120.3-100.7 16.5 -0.1 5.4 -47.9 66 85 A E B -e 32 0B 20 -5,-0.3 -5,-3.0 -35,-0.2 2,-0.4 -0.746 63.1-131.1 -92.2 127.0 -0.1 4.6 -51.6 67 86 A I E +B 60 0A 0 -35,-3.2 -33,-0.3 -2,-0.5 -7,-0.3 -0.599 26.7 175.1 -76.0 126.2 -3.1 5.7 -53.7 68 87 A G E + 0 0 15 -9,-2.8 2,-0.3 -2,-0.4 -8,-0.2 0.659 65.6 7.1-102.7 -24.0 -4.5 2.9 -55.9 69 88 A K E -B 59 0A 61 -10,-1.6 -10,-2.3 -27,-0.1 2,-0.4 -0.972 54.5-158.3-159.0 144.7 -7.6 4.7 -57.3 70 89 A V E -B 58 0A 3 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.998 15.1-171.7-125.6 131.5 -9.2 8.1 -57.4 71 90 A E E -B 57 0A 80 -14,-2.7 -14,-3.1 -2,-0.4 -2,-0.0 -0.874 28.5 -98.4-121.0 156.9 -12.9 8.6 -58.2 72 91 A S E -B 56 0A 92 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.272 34.4-119.8 -68.6 155.7 -14.9 11.8 -58.8 73 92 A A - 0 0 25 -18,-0.6 -1,-0.1 1,-0.1 -16,-0.0 -0.687 26.9-116.1 -93.1 153.1 -17.0 13.4 -56.1 74 93 A S > - 0 0 38 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.343 28.3-106.3 -78.3 164.6 -20.7 13.9 -56.5 75 94 A P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.867 126.0 55.5 -57.5 -33.3 -22.4 17.3 -56.7 76 95 A E H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.892 106.0 49.5 -63.2 -43.0 -23.6 16.5 -53.2 77 96 A D H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 110.0 51.1 -61.2 -45.4 -19.9 16.0 -52.1 78 97 A V H X S+ 0 0 68 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.919 110.8 48.8 -59.0 -44.4 -18.9 19.3 -53.7 79 98 A R H X S+ 0 0 149 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.923 112.2 48.5 -63.0 -45.6 -21.7 21.1 -51.8 80 99 A Y H >X S+ 0 0 113 -4,-2.4 4,-1.7 1,-0.2 3,-0.6 0.934 109.9 49.0 -63.0 -49.8 -20.8 19.6 -48.5 81 100 A F H 3X S+ 0 0 24 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.842 106.5 58.1 -63.6 -30.8 -17.1 20.3 -48.7 82 101 A K H 3< S+ 0 0 156 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.848 106.1 50.6 -63.9 -33.0 -17.9 23.9 -49.6 83 102 A T H << S+ 0 0 87 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.879 118.7 34.9 -72.9 -36.5 -19.8 24.2 -46.4 84 103 A I H < S+ 0 0 33 -4,-1.7 2,-0.7 1,-0.2 163,-0.4 0.782 116.2 51.1 -92.1 -27.8 -17.0 22.8 -44.1 85 104 A L S < S+ 0 0 6 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.2 -0.890 90.8 160.7-112.6 98.6 -13.9 24.2 -45.8 86 105 A T B -F 245 0C 21 159,-2.7 159,-3.1 -2,-0.7 -3,-0.1 -0.746 60.1-149.0-131.9 158.4 -14.9 27.8 -46.1 87 106 A K S S+ 0 0 51 -2,-0.3 2,-1.6 157,-0.2 -1,-0.1 0.359 74.6 107.7-101.3 -2.2 -13.9 31.4 -46.6 88 107 A E - 0 0 88 157,-0.1 2,-0.2 -5,-0.1 -2,-0.1 -0.637 65.3-154.7 -78.3 89.7 -16.8 32.4 -44.4 89 108 A V + 0 0 88 -2,-1.6 2,-0.4 1,-0.0 -2,-0.1 -0.458 17.9 179.3 -71.3 133.0 -14.8 33.4 -41.4 90 109 A K - 0 0 92 -2,-0.2 3,-0.1 145,-0.0 -2,-0.0 -0.939 15.5-146.0-138.8 117.7 -16.5 33.3 -38.0 91 110 A G - 0 0 53 -2,-0.4 2,-0.0 1,-0.2 0, 0.0 -0.158 36.0 -69.3 -79.3 169.1 -14.6 34.3 -34.8 92 111 A Q - 0 0 55 1,-0.1 -1,-0.2 2,-0.0 4,-0.1 -0.302 36.7-156.1 -54.6 133.6 -14.8 33.0 -31.2 93 112 A T + 0 0 131 -3,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.705 68.2 84.3 -90.5 -23.1 -18.1 33.9 -29.5 94 113 A N S S- 0 0 103 1,-0.1 2,-0.5 0, 0.0 -2,-0.0 -0.605 85.8-115.1 -80.6 141.1 -16.8 33.7 -25.9 95 114 A K + 0 0 210 -2,-0.3 2,-0.3 59,-0.0 -2,-0.1 -0.659 50.0 158.2 -78.3 121.2 -15.0 36.8 -24.4 96 115 A L - 0 0 46 -2,-0.5 2,-0.5 -4,-0.1 57,-0.2 -0.950 45.5-103.2-141.8 157.5 -11.4 35.9 -23.7 97 116 A A B -h 153 0D 45 55,-2.5 57,-2.3 -2,-0.3 3,-0.0 -0.748 22.3-163.1 -85.0 127.0 -8.1 37.7 -23.2 98 117 A S S S+ 0 0 78 -2,-0.5 86,-0.5 55,-0.2 2,-0.5 0.617 74.7 59.4 -85.1 -13.2 -5.8 37.4 -26.2 99 118 A V E S-i 184 0E 51 84,-0.1 86,-0.3 56,-0.1 -1,-0.1 -0.970 78.3-136.9-124.4 123.2 -2.7 38.4 -24.3 100 119 A I E -i 185 0E 0 84,-3.0 86,-2.2 -2,-0.5 6,-0.0 -0.516 21.8-129.8 -74.7 137.1 -1.3 36.5 -21.3 101 120 A P S S- 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.750 72.8 -10.6 -68.1 -27.1 -0.2 38.9 -18.6 102 121 A D > - 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