==== 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-DEC-08 3FN9 . COMPND 2 MOLECULE: PUTATIVE BETA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR U.A.RAMAGOPAL,R.TORO,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEAR . 2683 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 96548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1802 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 203 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 642 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 33 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.1 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 . 295 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 207 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 373 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.4 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 2 2 8 4 0 1 4 3 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 19 6 8 19 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 PARALLEL BRIDGES PER LADDER . 14 16 11 23 1 17 7 1 4 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 10 14 3 4 0 1 0 4 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 22 A L 0 0 189 0, 0.0 267,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.8 -7.3 77.5 121.7 2 23 A A + 0 0 35 1,-0.1 2,-0.6 2,-0.0 267,-0.0 0.784 360.0 78.1 -83.3 -29.2 -11.1 77.9 122.1 3 24 A R - 0 0 36 267,-0.1 2,-0.6 155,-0.0 155,-0.2 -0.732 64.8-150.4 -96.7 123.2 -11.9 75.6 125.0 4 25 A Q E +A 157 0A 108 153,-1.7 153,-3.1 -2,-0.6 2,-0.4 -0.762 20.8 170.1 -93.5 125.2 -11.2 76.6 128.6 5 26 A V E +A 156 0A 71 -2,-0.6 2,-0.4 151,-0.2 151,-0.2 -0.985 10.1 167.4-134.5 115.9 -10.5 73.8 130.9 6 27 A T E -A 155 0A 66 149,-2.5 149,-2.9 -2,-0.4 -2,-0.0 -0.987 39.6 -93.0-141.2 148.3 -9.3 74.8 134.3 7 28 A A E -A 154 0A 58 -2,-0.4 147,-0.2 147,-0.2 3,-0.1 -0.190 26.7-173.6 -56.7 143.6 -8.7 73.1 137.7 8 29 A F + 0 0 6 145,-2.8 146,-0.1 1,-0.1 -1,-0.1 -0.197 50.5 112.5-132.9 39.0 -11.6 73.3 140.1 9 30 A N + 0 0 34 144,-0.1 30,-1.8 30,-0.1 3,-0.3 0.486 55.8 86.3 -94.3 -8.2 -9.8 71.7 143.1 10 31 A T S S+ 0 0 112 1,-0.2 28,-0.1 28,-0.2 0, 0.0 -0.643 76.8 24.2-105.4 150.3 -9.6 74.7 145.4 11 32 A G S S+ 0 0 53 26,-0.3 54,-0.5 1,-0.2 2,-0.3 0.754 77.2 140.0 74.5 25.5 -11.8 76.3 148.0 12 33 A W - 0 0 1 25,-0.5 25,-2.2 -3,-0.3 2,-0.3 -0.703 36.3-154.0 -93.1 151.7 -13.9 73.3 148.9 13 34 A Q E -DE 36 63B 60 50,-2.5 50,-2.4 -2,-0.3 2,-0.3 -0.950 9.8-148.3-122.3 152.6 -15.0 72.5 152.5 14 35 A F E -DE 35 62B 7 21,-4.1 21,-2.7 -2,-0.3 2,-0.3 -0.806 14.8-174.8-123.1 156.4 -15.9 69.0 153.7 15 36 A K E - E 0 61B 45 46,-1.5 46,-2.1 -2,-0.3 2,-0.1 -0.772 17.2-155.3-154.4 98.0 -18.2 67.6 156.3 16 37 A K E - E 0 60B 83 -2,-0.3 44,-0.2 44,-0.2 43,-0.1 -0.380 19.6-132.2 -77.4 154.8 -18.1 63.9 157.0 17 38 A G + 0 0 8 42,-1.7 2,-0.2 -2,-0.1 -1,-0.1 -0.079 64.2 137.9 -79.6-166.5 -20.9 61.7 158.4 18 39 A P - 0 0 94 0, 0.0 2,-0.4 0, 0.0 40,-0.0 0.572 56.8-157.7 -70.8 169.3 -22.3 59.8 160.0 19 40 A F - 0 0 57 -2,-0.2 7,-0.1 1,-0.0 -2,-0.1 -0.967 16.2-108.9-121.8 135.7 -25.4 62.0 160.3 20 41 A A - 0 0 30 -2,-0.4 -1,-0.0 5,-0.2 9,-0.0 -0.050 13.0-140.0 -47.8 150.9 -28.2 61.9 162.9 21 42 A T S S+ 0 0 148 5,-0.0 -1,-0.1 4,-0.0 3,-0.0 0.844 83.8 85.4 -81.8 -37.7 -31.7 60.7 162.0 22 43 A D S > S- 0 0 54 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.446 78.2-140.3 -63.6 125.9 -33.3 63.4 164.1 23 44 A P H > S+ 0 0 103 0, 0.0 4,-3.8 0, 0.0 5,-0.3 0.916 101.6 57.8 -57.7 -38.6 -33.6 66.7 162.1 24 45 A M H > S+ 0 0 142 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.966 112.9 37.6 -52.4 -57.4 -32.6 68.6 165.2 25 46 A R H > S+ 0 0 148 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 117.2 52.3 -65.4 -35.0 -29.3 66.8 165.6 26 47 A A H X S+ 0 0 28 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.955 105.9 53.3 -67.1 -48.6 -28.8 66.7 161.8 27 48 A A H X S+ 0 0 52 -4,-3.8 4,-2.2 -5,-0.2 -1,-0.2 0.883 110.2 50.1 -48.6 -42.9 -29.4 70.5 161.4 28 49 A S H X S+ 0 0 78 -4,-1.7 4,-0.9 -5,-0.3 -2,-0.2 0.948 110.3 47.3 -62.4 -53.6 -26.7 71.0 164.1 29 50 A Q H >< S+ 0 0 58 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.926 113.8 51.2 -50.7 -45.6 -24.2 68.7 162.3 30 51 A W H 3< S+ 0 0 84 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.879 111.7 44.8 -62.1 -38.7 -25.1 70.6 159.2 31 52 A D H 3< S+ 0 0 130 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.439 97.2 98.5 -88.2 1.3 -24.5 74.0 160.8 32 53 A G S << S- 0 0 34 -3,-0.9 2,-0.2 -4,-0.9 -3,-0.1 0.029 89.4 -55.2 -78.0-171.8 -21.2 73.1 162.5 33 54 A K - 0 0 163 1,-0.0 2,-0.4 -18,-0.0 -1,-0.2 -0.441 51.0-152.7 -67.0 132.3 -17.7 73.7 161.4 34 55 A W - 0 0 7 -2,-0.2 2,-0.4 -3,-0.1 -19,-0.2 -0.847 19.9-117.8-101.4 145.7 -16.8 72.3 158.0 35 56 A E E -D 14 0B 111 -21,-2.7 -21,-4.1 -2,-0.4 2,-0.4 -0.693 19.0-132.7 -85.3 131.6 -13.3 71.3 157.2 36 57 A T E +D 13 0B 101 -2,-0.4 -23,-0.2 -23,-0.3 2,-0.2 -0.721 41.9 173.1 -82.5 138.2 -11.5 73.3 154.5 37 58 A V - 0 0 18 -25,-2.2 -25,-0.5 -2,-0.4 2,-0.4 -0.674 28.5-121.2-140.0 176.2 -9.9 70.7 152.3 38 59 A E - 0 0 158 -2,-0.2 -28,-0.2 2,-0.1 -29,-0.0 -0.986 35.6 -93.9-137.4 138.2 -8.0 70.1 149.1 39 60 A I S S+ 0 0 8 -30,-1.8 2,-0.1 -2,-0.4 111,-0.1 -0.725 106.0 52.4 -92.9 136.6 -8.8 68.0 146.1 40 61 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 110,-0.3 0.332 88.4 153.6 -70.6 139.9 -7.9 65.3 145.5 41 62 A H + 0 0 25 108,-2.1 2,-0.3 110,-0.2 110,-0.1 -0.978 22.3 178.8-135.9 145.4 -9.2 64.3 149.0 42 63 A T - 0 0 12 -2,-0.3 106,-0.2 106,-0.1 3,-0.1 -0.964 25.0-146.5-135.7 164.1 -10.5 61.2 150.6 43 64 A W S S+ 0 0 19 104,-1.4 4,-0.3 -2,-0.3 13,-0.2 0.347 95.3 59.4-105.5 6.1 -11.8 60.6 154.1 44 65 A N > + 0 0 0 103,-0.5 4,-2.1 2,-0.1 5,-0.3 0.354 66.1 108.6-114.1 1.3 -10.4 57.0 154.3 45 66 A A T 4 S+ 0 0 21 264,-0.2 263,-0.4 1,-0.2 265,-0.4 0.806 95.3 23.4 -48.1 -37.1 -6.7 57.7 153.8 46 67 A M T >> S+ 0 0 142 -3,-0.1 4,-2.5 263,-0.1 3,-1.8 0.898 122.0 48.1 -98.1 -55.1 -6.1 56.8 157.4 47 68 A D T 34 S+ 0 0 28 -4,-0.3 7,-0.3 1,-0.3 4,-0.2 0.668 111.7 52.0 -70.2 -15.0 -8.8 54.6 158.8 48 69 A M T 3< S+ 0 0 0 -4,-2.1 -1,-0.3 2,-0.1 494,-0.2 0.590 119.8 35.4 -88.8 -11.8 -8.6 52.2 155.8 49 70 A Q T <4 S+ 0 0 2 -3,-1.8 -2,-0.2 -5,-0.3 -3,-0.1 0.761 112.8 50.1-108.0 -32.4 -4.8 51.8 156.2 50 71 A V S < S+ 0 0 68 -4,-2.5 2,-0.3 1,-0.1 -3,-0.1 0.448 113.5 19.4 -93.8 -2.4 -4.0 51.9 159.9 51 72 A Q S S- 0 0 73 -4,-0.2 3,-0.5 -5,-0.2 -1,-0.1 -0.967 76.8-107.1-170.1 141.2 -6.4 49.4 161.4 52 73 A S S S- 0 0 42 -2,-0.3 492,-0.2 1,-0.2 493,-0.1 -0.417 85.9 -4.1 -86.2 157.6 -8.6 46.4 160.3 53 74 A G S S+ 0 0 49 490,-3.2 -1,-0.2 489,-0.2 491,-0.1 0.781 105.1 94.7 34.3 54.5 -12.3 46.3 160.0 54 75 A S + 0 0 68 -3,-0.5 2,-0.3 489,-0.3 -1,-0.1 -0.390 44.9 118.6-169.2 84.7 -13.0 49.7 161.3 55 76 A F - 0 0 36 -7,-0.1 2,-0.3 -2,-0.0 -11,-0.1 -0.986 61.4 -96.0-152.7 150.6 -13.4 52.6 158.9 56 77 A Y + 0 0 40 -2,-0.3 2,-0.4 -13,-0.2 91,-0.3 -0.576 38.2 173.8 -84.0 137.2 -16.1 55.1 158.0 57 78 A E + 0 0 53 -2,-0.3 2,-0.3 89,-0.1 73,-0.1 -0.941 40.7 55.9-146.9 108.7 -18.3 54.3 155.0 58 79 A G S S+ 0 0 6 -2,-0.4 71,-1.5 72,-0.1 2,-0.0 -0.965 82.5 0.5 162.4-152.6 -21.3 56.5 154.2 59 80 A A E + F 0 128B 13 -2,-0.3 -42,-1.7 69,-0.2 2,-0.3 -0.297 47.5 165.5 -73.3 149.0 -22.3 60.1 153.4 60 81 A G E -EF 16 127B 0 67,-1.9 67,-2.9 -44,-0.2 2,-0.4 -0.930 21.4-143.0-155.0 146.7 -20.0 63.1 153.2 61 82 A Y E -EF 15 126B 50 -46,-2.1 -46,-1.5 -2,-0.3 2,-0.4 -0.927 8.0-165.6-119.2 139.1 -20.6 66.5 151.8 62 83 A Y E -EF 14 125B 0 63,-2.8 63,-2.4 -2,-0.4 2,-0.4 -0.937 12.5-175.9-117.2 142.6 -18.3 68.9 149.9 63 84 A R E +EF 13 124B 47 -50,-2.4 -50,-2.5 -2,-0.4 2,-0.3 -0.992 10.2 165.1-143.1 144.8 -19.2 72.5 149.4 64 85 A K E - F 0 123B 12 59,-1.9 59,-3.0 -2,-0.4 2,-0.5 -0.969 20.8-148.4-158.1 141.1 -17.7 75.4 147.5 65 86 A T E - F 0 122B 77 -54,-0.5 2,-0.4 -2,-0.3 57,-0.2 -0.963 20.3-176.1-122.3 129.4 -18.9 78.8 146.5 66 87 A Q E - F 0 121B 64 55,-2.1 55,-2.3 -2,-0.5 2,-0.5 -0.948 25.1-131.4-131.9 134.1 -17.6 80.4 143.3 67 88 A F E - F 0 120B 89 -2,-0.4 53,-0.2 53,-0.2 50,-0.1 -0.700 23.0-165.6 -80.0 128.7 -18.1 83.7 141.6 68 89 A F E - F 0 119B 5 51,-1.9 50,-2.1 -2,-0.5 51,-0.6 -0.964 19.4-127.7-116.6 121.4 -18.9 83.2 137.8 69 90 A P > - 0 0 55 0, 0.0 3,-1.3 0, 0.0 50,-0.1 -0.018 18.9-112.5 -68.5 167.9 -18.6 86.4 135.7 70 91 A H G > S+ 0 0 134 1,-0.3 3,-1.8 47,-0.2 47,-0.1 0.648 106.4 85.5 -68.3 -16.6 -21.1 87.9 133.3 71 92 A D G 3 S+ 0 0 135 1,-0.3 -1,-0.3 3,-0.0 46,-0.0 0.599 74.7 67.7 -56.9 -16.0 -18.6 86.9 130.6 72 93 A L G X + 0 0 21 -3,-1.3 3,-3.2 2,-0.1 -1,-0.3 0.514 68.3 131.7 -88.6 -3.4 -20.1 83.4 130.5 73 94 A E T < S+ 0 0 140 -3,-1.8 3,-0.1 1,-0.3 -3,-0.0 -0.211 80.3 10.9 -44.2 129.3 -23.3 84.9 129.0 74 95 A G T 3 S+ 0 0 32 1,-0.2 86,-0.3 85,-0.1 -1,-0.3 0.434 109.8 113.1 78.2 -2.1 -24.1 82.7 126.0 75 96 A K < - 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0 0 31 -7,-3.1 2,-0.3 -2,-0.0 -7,-0.3 -0.535 17.2-155.3 -85.3 161.8 -72.2 99.2 94.2 1965 640 C S + 0 0 112 -2,-0.2 -9,-0.0 1,-0.1 0, 0.0 -0.918 59.6 63.6-137.2 164.9 -72.2 96.4 96.8 1966 641 C G + 0 0 56 -2,-0.3 13,-0.2 1,-0.2 11,-0.1 0.420 57.7 179.7 100.9 3.1 -70.8 92.9 97.1 1967 642 C I + 0 0 55 -3,-0.1 2,-0.3 11,-0.1 -1,-0.2 -0.073 10.7 177.7 -35.1 130.8 -67.2 93.9 96.9 1968 643 C R E -O 1977 0q 105 9,-2.0 9,-3.1 0, 0.0 2,-0.2 -0.964 29.1 -92.3-138.7 163.6 -65.2 90.6 97.1 1969 644 C N E -O 1976 0q 115 -2,-0.3 7,-0.2 7,-0.2 4,-0.1 -0.458 29.8-161.4 -78.7 142.7 -61.5 89.6 97.0 1970 645 C G - 0 0 19 5,-2.8 -1,-0.1 2,-0.5 5,-0.1 0.158 56.0 -55.5 -92.7-142.9 -59.6 88.6 94.0 1971 646 C Y S S+ 0 0 130 5,-0.1 2,-0.3 3,-0.1 -2,-0.1 0.701 119.2 30.6 -81.4 -20.2 -56.4 86.7 93.9 1972 647 C T S > S- 0 0 11 0, 0.0 3,-2.3 0, 0.0 -2,-0.5 -0.896 90.2-100.8-131.5 167.1 -54.3 89.0 96.1 1973 648 C D T 3 S+ 0 0 120 -2,-0.3 -2,-0.0 1,-0.3 -51,-0.0 0.449 122.8 52.9 -67.4 2.1 -55.1 91.4 99.0 1974 649 C V T 3 S+ 0 0 9 -22,-0.1 -24,-2.6 -25,-0.0 2,-0.6 0.340 90.8 94.3-114.7 1.5 -54.9 94.3 96.6 1975 650 C H E < +N 1949 0q 5 -3,-2.3 -5,-2.8 -26,-0.2 2,-0.4 -0.866 50.2 177.2-105.6 118.4 -57.4 92.7 94.2 1976 651 C Y E -NO19481969q 25 -28,-2.1 -28,-2.9 -2,-0.6 2,-0.4 -0.972 4.2-172.3-123.8 138.0 -61.1 93.6 94.4 1977 652 C V E -NO19471968q 9 -9,-3.1 -9,-2.0 -2,-0.4 2,-0.5 -0.979 17.1-155.4-131.8 141.9 -64.0 92.5 92.2 1978 653 C F E -N 1946 0q 7 -32,-2.3 -32,-1.9 -2,-0.4 3,-0.3 -0.971 21.3-153.7-107.6 122.4 -67.7 93.3 91.8 1979 654 C D E + 0 0 76 -2,-0.5 -34,-0.2 1,-0.2 -35,-0.1 -0.685 66.7 11.9 -92.9 147.7 -69.7 90.5 90.2 1980 655 C N E S+ 0 0 131 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.941 72.5 175.8 55.9 58.3 -72.9 91.0 88.2 1981 656 C V E -N 1944 0q 6 -37,-3.6 -37,-2.9 -3,-0.3 2,-0.5 -0.803 20.1-143.9 -91.7 136.1 -72.9 94.7 87.7 1982 657 C S E -N 1943 0q 75 -2,-0.4 2,-0.3 -39,-0.2 -39,-0.2 -0.896 10.4-144.8-102.7 128.6 -75.7 95.9 85.5 1983 658 C L - 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