==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAY-11 3S5Q . COMPND 2 MOLECULE: PUTATIVE GLYCOSYLHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABACTEROIDES DISTASONIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 34.3 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 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 0 PARALLEL BRIDGES PER LADDER . 4 2 3 1 0 3 0 2 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 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 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 -17 A G 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.3 48.3 50.0 65.1 2 -16 A S + 0 0 124 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.381 360.0 126.7-107.8 6.3 49.3 46.5 66.4 3 -15 A D + 0 0 66 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.404 14.1 154.4 -73.2 137.9 46.8 45.8 69.3 4 -14 A K > + 0 0 139 -2,-0.1 3,-1.2 2,-0.0 -1,-0.1 0.608 67.8 61.2-115.9 -41.2 44.7 42.6 69.5 5 -13 A I T 3 S+ 0 0 147 1,-0.3 -2,-0.1 3,-0.0 3,-0.0 0.470 104.5 47.7 -80.9 -2.4 44.0 42.0 73.2 6 -12 A H T 3 S+ 0 0 140 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.205 90.7 91.4-121.8 15.4 42.0 45.3 73.8 7 -11 A H < - 0 0 128 -3,-1.2 2,-0.3 2,-0.0 0, 0.0 -0.939 69.1-134.0-115.7 129.8 39.6 45.3 70.8 8 -10 A H - 0 0 176 -2,-0.5 -2,-0.1 1,-0.1 -3,-0.0 -0.616 3.1-150.6 -81.5 142.2 36.2 43.7 71.0 9 -9 A H S S+ 0 0 122 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.527 79.1 44.5 -91.0 -8.4 35.1 41.5 68.2 10 -8 A H S S- 0 0 54 1,-0.1 3,-0.1 0, 0.0 -2,-0.0 -0.971 71.7-135.0-133.5 152.9 31.4 42.3 68.5 11 -7 A H S S- 0 0 204 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.785 96.4 -3.7 -76.8 -27.8 29.4 45.5 69.0 12 -6 A E S S- 0 0 107 -3,-0.0 -1,-0.3 0, 0.0 5,-0.1 -0.970 95.4 -75.2-153.5 159.9 27.4 43.6 71.6 13 -5 A N > - 0 0 85 -2,-0.3 3,-0.8 1,-0.1 4,-0.5 -0.360 38.0-133.8 -53.3 131.0 27.1 40.0 73.0 14 -4 A L G > >S+ 0 0 4 1,-0.2 5,-2.1 2,-0.2 3,-0.9 0.767 101.1 72.3 -62.2 -25.9 25.4 37.8 70.5 15 -3 A Y G > 5S+ 0 0 116 1,-0.3 3,-1.2 3,-0.2 -1,-0.2 0.907 96.8 47.5 -57.0 -41.5 23.3 36.5 73.4 16 -2 A F G < 5S+ 0 0 153 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.656 103.8 62.5 -73.7 -18.1 21.4 39.7 73.6 17 -1 A Q G < 5S- 0 0 96 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.388 128.7 -97.4 -83.0 -0.9 20.9 39.6 69.7 18 0 A G T < 5S+ 0 0 23 -3,-1.2 194,-0.5 -4,-0.3 -3,-0.2 0.429 79.2 139.6 100.0 4.8 18.9 36.4 70.3 19 29 A Y E < -A 211 0A 19 -5,-2.1 -1,-0.3 192,-0.2 192,-0.2 -0.535 28.1-172.7 -83.3 144.8 21.7 33.8 69.6 20 30 A R E -A 210 0A 109 190,-2.1 190,-3.0 -2,-0.2 -5,-0.0 -0.980 37.6 -90.8-130.2 146.5 22.3 30.7 71.6 21 31 A P E -A 209 0A 85 0, 0.0 188,-0.3 0, 0.0 3,-0.1 -0.275 28.9-141.5 -55.8 137.1 25.2 28.2 71.4 22 32 A L S S+ 0 0 2 186,-2.3 2,-0.4 1,-0.1 187,-0.1 0.893 83.2 39.0 -66.4 -42.7 24.4 25.4 68.9 23 33 A F S S- 0 0 12 185,-0.5 -1,-0.1 31,-0.1 185,-0.1 -0.929 84.2-118.2-116.2 138.5 26.1 22.7 71.0 24 34 A D > - 0 0 76 -2,-0.4 3,-2.1 1,-0.1 5,-0.1 -0.274 36.5-104.6 -59.9 156.7 26.1 22.1 74.8 25 35 A K T 3 S+ 0 0 195 1,-0.3 17,-0.1 2,-0.1 -1,-0.1 0.790 124.3 39.7 -60.7 -32.7 29.4 22.2 76.6 26 36 A D T 3 S- 0 0 110 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.341 110.5-120.5 -95.9 6.0 29.5 18.4 76.9 27 37 A L X + 0 0 6 -3,-2.1 3,-1.9 1,-0.1 -2,-0.1 0.685 65.4 144.2 59.5 26.8 28.1 17.9 73.3 28 38 A S T 3 S+ 0 0 63 1,-0.3 -1,-0.1 3,-0.1 -3,-0.1 0.732 70.1 51.5 -68.1 -20.2 25.1 16.0 74.8 29 39 A N T 3 S+ 0 0 45 -5,-0.1 26,-1.2 2,-0.0 2,-0.3 0.048 100.8 85.6-101.8 21.0 22.8 17.5 72.1 30 40 A A E < -H 54 0B 7 -3,-1.9 2,-0.6 24,-0.2 24,-0.2 -0.926 69.8-137.1-121.8 150.1 25.1 16.4 69.3 31 41 A D E +H 53 0B 82 22,-3.0 22,-2.3 -2,-0.3 2,-0.3 -0.935 51.8 124.5-101.7 114.3 25.5 13.3 67.3 32 42 A Y - 0 0 72 -2,-0.6 2,-0.7 20,-0.2 20,-0.1 -0.961 65.3 -97.6-156.8 167.1 29.2 12.5 66.9 33 43 A D >> - 0 0 83 18,-0.3 3,-2.7 -2,-0.3 4,-2.0 -0.908 29.7-147.4 -90.9 116.8 32.0 9.9 67.4 34 44 A S T 34 S+ 0 0 91 -2,-0.7 -1,-0.1 1,-0.3 0, 0.0 0.640 97.5 62.3 -62.7 -13.4 33.7 10.8 70.6 35 45 A S T 34 S+ 0 0 88 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.614 112.5 37.1 -82.5 -13.3 37.0 9.5 69.2 36 46 A V T <4 S+ 0 0 8 -3,-2.7 11,-1.4 1,-0.2 2,-0.5 0.830 113.2 49.2-104.5 -48.5 36.7 12.2 66.4 37 47 A W E < +B 46 0A 3 -4,-2.0 2,-0.3 9,-0.2 9,-0.2 -0.840 56.6 175.6-105.1 132.6 35.3 15.3 68.0 38 48 A T E -B 45 0A 75 7,-2.3 7,-2.2 -2,-0.5 2,-0.5 -0.964 18.4-157.8-126.4 153.0 36.4 17.0 71.2 39 49 A F E +B 44 0A 69 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.937 33.4 156.5-127.6 97.7 35.2 20.3 72.8 40 50 A K E > -B 43 0A 149 3,-2.1 3,-2.0 -2,-0.5 -2,-0.1 -0.995 60.9 -2.7-135.2 131.5 38.0 21.4 75.0 41 51 A N T 3 S- 0 0 149 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.845 130.1 -55.9 59.3 38.6 38.9 24.9 76.4 42 52 A G T 3 S+ 0 0 46 1,-0.2 165,-0.5 -17,-0.1 2,-0.4 0.332 115.1 113.6 78.0 -1.0 36.1 26.3 74.3 43 53 A I E < -BC 40 206A 40 -3,-2.0 -3,-2.1 163,-0.1 2,-0.5 -0.882 52.3-152.4-115.3 128.3 37.4 24.9 71.0 44 54 A L E +BC 39 205A 3 161,-3.0 161,-3.0 -2,-0.4 2,-0.3 -0.828 26.3 164.3-101.1 128.2 35.7 22.2 68.9 45 55 A T E -BC 38 204A 20 -7,-2.2 -7,-2.3 -2,-0.5 2,-0.3 -0.989 25.3-148.7-148.3 154.8 37.9 20.1 66.7 46 56 A A E -B 37 0A 0 157,-0.8 157,-0.5 -2,-0.3 -9,-0.2 -0.913 5.8-165.2-122.4 141.8 37.9 16.8 64.7 47 57 A T S S+ 0 0 89 -11,-1.4 2,-0.3 -2,-0.3 -10,-0.1 0.346 76.1 33.0-110.8 8.1 40.8 14.4 64.0 48 58 A A S S- 0 0 38 2,-0.2 149,-1.9 -12,-0.2 2,-1.4 -0.924 94.8 -88.6-148.1 173.3 39.1 12.4 61.2 49 59 A D S S+ 0 0 66 -2,-0.3 2,-0.3 147,-0.3 149,-0.1 -0.468 83.0 112.3 -89.4 63.2 36.7 12.9 58.3 50 60 A Q - 0 0 121 -2,-1.4 -2,-0.2 -17,-0.1 147,-0.2 -0.982 60.8-126.1-128.8 145.6 33.5 12.2 60.2 51 61 A S - 0 0 18 -2,-0.3 2,-0.4 144,-0.1 -18,-0.3 -0.369 4.4-133.3 -93.2 164.9 30.9 15.0 60.9 52 62 A I E - I 0 194B 0 142,-2.1 142,-2.1 -20,-0.1 2,-0.3 -0.969 29.7-166.4-114.4 134.9 29.2 16.3 64.0 53 63 A W E -HI 31 193B 10 -22,-2.3 -22,-3.0 -2,-0.4 140,-0.2 -0.908 22.6-117.0-127.8 148.3 25.5 16.9 63.9 54 64 A T E -H 30 0B 3 138,-2.5 -24,-0.2 -2,-0.3 -31,-0.1 -0.395 20.1-138.5 -68.3 155.6 22.7 18.6 65.7 55 65 A K S S+ 0 0 120 -26,-1.2 2,-0.3 -2,-0.1 -25,-0.1 0.525 86.7 55.3 -90.7 -12.9 20.0 16.3 67.2 56 66 A V S S- 0 0 78 -27,-0.3 136,-0.5 136,-0.1 2,-0.3 -0.865 85.8-118.2-119.2 155.0 17.2 18.7 66.1 57 67 A Q - 0 0 83 -2,-0.3 2,-0.4 134,-0.2 134,-0.3 -0.666 27.5-155.6 -94.0 152.3 16.4 20.1 62.7 58 68 A Y B +N 190 0C 42 132,-3.2 132,-1.8 -2,-0.3 2,-0.3 -0.965 17.1 169.6-132.6 144.1 16.5 23.8 61.9 59 69 A E + 0 0 70 -2,-0.4 154,-0.2 130,-0.2 130,-0.1 -0.936 64.9 25.9-140.5 160.7 15.0 26.2 59.4 60 70 A N S S+ 0 0 53 128,-0.4 153,-2.3 81,-0.4 2,-0.3 0.942 91.6 133.2 51.3 62.2 14.8 30.0 59.2 61 71 A F E -DE 141 212A 0 80,-1.7 80,-2.9 151,-0.2 2,-0.4 -0.875 56.4-133.1-137.6 165.7 18.0 30.6 61.2 62 72 A I E -DE 140 211A 27 149,-1.9 149,-2.6 -2,-0.3 2,-0.5 -0.994 20.4-162.1-124.3 120.9 21.3 32.5 61.3 63 73 A L E -DE 139 210A 0 76,-2.7 76,-3.3 -2,-0.4 2,-0.5 -0.923 7.8-173.5-107.1 121.1 24.3 30.4 62.2 64 74 A D E +DE 138 209A 2 145,-2.6 145,-2.9 -2,-0.5 2,-0.3 -0.977 17.4 153.4-121.9 116.6 27.3 32.5 63.4 65 75 A L E -D 137 0A 0 72,-2.6 72,-2.8 -2,-0.5 2,-0.4 -0.952 35.2-134.1-140.0 164.4 30.6 30.7 63.9 66 76 A E E -DE 136 206A 12 140,-2.5 140,-2.0 -2,-0.3 2,-0.3 -0.910 23.0-179.2-115.9 145.0 34.3 31.1 64.0 67 77 A F E -DE 135 205A 0 68,-1.5 68,-3.2 -2,-0.4 2,-0.4 -0.990 13.7-155.6-141.7 150.3 36.8 28.7 62.4 68 78 A K E -DE 134 204A 54 136,-2.3 136,-1.9 -2,-0.3 2,-0.2 -0.976 14.7-155.9-123.8 136.7 40.5 28.6 62.1 69 79 A T E - E 0 203A 1 64,-0.6 63,-2.2 -2,-0.4 2,-0.3 -0.638 5.7-154.6-103.7 164.3 42.4 26.8 59.3 70 80 A D > - 0 0 68 132,-0.6 3,-2.2 -2,-0.2 28,-0.1 -0.743 59.7 -47.8-116.8 177.8 45.9 25.3 59.0 71 81 A V T 3 S- 0 0 77 1,-0.3 -1,-0.1 -2,-0.3 131,-0.0 -0.253 128.1 -5.6 -48.1 120.3 47.7 24.8 55.7 72 82 A N T 3 S+ 0 0 34 26,-0.2 129,-0.4 1,-0.2 -1,-0.3 0.711 85.0 176.5 62.7 25.6 45.3 23.2 53.2 73 83 A T < - 0 0 0 -3,-2.2 25,-2.0 129,-0.1 2,-0.3 -0.317 8.3-170.1 -51.1 142.7 42.4 22.6 55.7 74 84 A N E +J 97 0B 31 127,-0.5 124,-2.3 23,-0.2 125,-0.7 -0.962 32.8 108.1-143.0 120.3 39.3 21.2 54.0 75 85 A S E -J 96 0B 0 21,-2.4 21,-1.8 -2,-0.3 2,-0.3 -0.718 36.0-170.2-163.9-153.9 36.0 21.0 55.9 76 86 A G E -J 95 0B 0 119,-0.4 119,-2.4 19,-0.3 2,-0.4 -0.935 27.9 -91.1 162.4 175.3 32.6 22.8 55.8 77 87 A V E -JK 94 194B 0 17,-2.6 17,-3.4 -2,-0.3 2,-0.5 -0.962 33.6-153.4-117.0 132.3 29.2 23.6 57.4 78 88 A V E +JK 93 193B 0 115,-3.3 115,-2.4 -2,-0.4 2,-0.3 -0.917 16.0 178.0-111.6 126.6 26.3 21.4 56.3 79 89 A I E +J 92 0B 0 13,-3.3 13,-2.6 -2,-0.5 113,-0.1 -0.810 58.6 26.5-123.2 164.9 22.7 22.8 56.5 80 90 A Y E S+ 0 0 1 110,-0.4 2,-0.6 -22,-0.3 109,-0.2 0.825 74.1 172.7 56.9 37.4 19.3 21.4 55.5 81 91 A C E + K 0 191B 0 110,-2.1 110,-2.6 -3,-0.2 10,-0.2 -0.672 17.1 175.5 -82.2 118.6 20.5 17.8 56.1 82 92 A T S S+ 0 0 67 8,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.514 75.4 32.3 -97.7 -9.0 17.6 15.4 55.8 83 93 A D - 0 0 74 7,-0.5 -1,-0.3 1,-0.1 7,-0.2 -0.809 59.1-171.0-151.4 102.2 19.7 12.2 56.2 84 94 A K S > S+ 0 0 45 -2,-0.3 3,-1.0 1,-0.2 4,-0.1 0.894 89.5 53.9 -64.8 -37.1 22.8 12.3 58.3 85 95 A G T 3 S+ 0 0 75 1,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.917 122.3 27.9 -60.9 -44.4 23.9 8.8 57.1 86 96 A N T 3 S+ 0 0 91 1,-0.2 4,-0.3 4,-0.1 -1,-0.3 -0.452 82.5 148.2-114.0 56.4 23.6 9.7 53.4 87 97 A W X + 0 0 46 -3,-1.0 3,-1.1 -2,-0.3 -1,-0.2 0.780 51.1 74.6 -71.4 -26.8 24.4 13.4 53.9 88 98 A I G > S+ 0 0 74 1,-0.3 3,-0.6 -3,-0.2 -1,-0.2 0.920 110.7 25.4 -58.1 -53.7 26.2 14.2 50.6 89 99 A P G 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.394 121.2 61.4 -85.8 4.6 23.1 14.2 48.3 90 100 A S G < S+ 0 0 17 -3,-1.1 -8,-2.4 -4,-0.3 -7,-0.5 -0.061 103.9 37.2-122.1 26.6 20.8 15.1 51.2 91 101 A S S < S- 0 0 2 -3,-0.6 2,-0.5 -10,-0.2 -11,-0.2 -0.966 72.8-109.6-161.7 173.5 22.1 18.4 52.3 92 102 A I E -J 79 0B 0 -13,-2.6 -13,-3.3 -2,-0.3 2,-0.5 -0.984 32.7-155.5-116.6 122.6 23.6 21.8 51.3 93 103 A E E -J 78 0B 19 -2,-0.5 24,-2.3 -15,-0.2 2,-0.6 -0.873 10.7-155.7-104.7 134.0 27.3 22.3 52.2 94 104 A I E -JL 77 116B 0 -17,-3.4 -17,-2.6 -2,-0.5 22,-0.2 -0.931 33.4-125.0 -97.8 118.6 29.0 25.7 52.7 95 105 A Q E -J 76 0B 4 20,-2.4 19,-2.9 -2,-0.6 2,-0.4 -0.336 22.4-167.3 -67.4 144.5 32.7 25.0 52.0 96 106 A I E +J 75 0B 0 -21,-1.8 -21,-2.4 17,-0.2 2,-0.3 -0.995 27.4 148.7-127.6 123.4 35.5 25.9 54.5 97 107 A A E -J 74 0B 0 -2,-0.4 2,-1.7 -23,-0.2 -23,-0.2 -0.985 57.3-111.8-150.7 150.0 39.0 25.7 52.9 98 108 A D > - 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