==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-10 3PMS . COMPND 2 MOLECULE: PEPTIDE:N-GLYCOSIDASE F; . SOURCE 2 ORGANISM_SCIENTIFIC: ELIZABETHKINGIA MENINGOSEPTICA; . AUTHOR J.FILITCHEVA,B.F.ANDERSON,G.E.NORRIS . 312 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 61.9 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 . 113 36.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 34 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 0 2 3 3 3 0 2 1 2 0 1 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 4 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 4 A D 0 0 168 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 21.4 11.4 20.3 -33.6 2 5 A N + 0 0 88 1,-0.2 130,-3.0 129,-0.1 2,-0.4 0.399 360.0 104.5 83.7 3.3 8.3 18.3 -34.4 3 6 A T E -A 131 0A 44 128,-0.2 2,-0.4 126,-0.0 128,-0.2 -0.921 46.3-169.1-122.8 136.1 6.5 19.1 -31.1 4 7 A V E -A 130 0A 58 126,-2.5 126,-3.4 -2,-0.4 2,-0.5 -0.985 13.5-147.5-118.3 139.9 3.6 21.5 -30.4 5 8 A N E -A 129 0A 60 -2,-0.4 2,-0.6 124,-0.2 124,-0.2 -0.903 8.0-163.3-111.1 129.1 2.6 22.4 -26.8 6 9 A I E -A 128 0A 22 122,-3.0 122,-2.1 -2,-0.5 2,-0.4 -0.946 7.3-151.6-115.6 115.1 -1.0 23.2 -26.0 7 10 A K E +A 127 0A 138 -2,-0.6 120,-0.2 120,-0.2 22,-0.2 -0.685 28.1 157.1 -81.5 131.4 -1.8 25.0 -22.7 8 11 A T + 0 0 9 118,-2.3 119,-0.1 1,-0.5 -1,-0.1 0.167 51.2 27.7-120.8-111.1 -5.2 24.1 -21.4 9 12 A F - 0 0 7 116,-0.1 117,-2.2 17,-0.1 -1,-0.5 -0.174 65.8-171.7 -57.9 141.5 -6.4 24.4 -17.8 10 13 A D - 0 0 108 115,-0.2 115,-0.2 -3,-0.1 -1,-0.1 -0.965 66.2 -21.1-144.1 112.8 -4.4 27.1 -15.9 11 14 A K S S+ 0 0 144 -2,-0.4 2,-0.3 1,-0.2 114,-0.2 0.886 86.1 166.8 55.8 43.9 -4.8 27.6 -12.2 12 15 A V E -B 124 0A 31 112,-2.5 112,-2.7 12,-0.0 2,-0.4 -0.660 24.5-141.7 -89.2 143.6 -8.1 25.8 -12.1 13 16 A K E -B 123 0A 105 -2,-0.3 2,-0.5 110,-0.2 110,-0.2 -0.907 14.6-166.6-114.0 131.5 -9.5 24.8 -8.7 14 17 A N E +B 122 0A 0 108,-3.1 108,-2.5 -2,-0.4 8,-0.3 -0.992 34.7 146.0-108.5 122.8 -11.3 21.7 -7.7 15 18 A A - 0 0 2 6,-2.1 2,-0.5 -2,-0.5 104,-0.2 -0.945 44.0-120.7-153.1 170.0 -12.9 22.2 -4.3 16 19 A F + 0 0 101 102,-1.8 2,-0.3 -2,-0.3 105,-0.1 -0.989 60.9 71.4-129.8 124.9 -15.8 21.3 -2.1 17 20 A G S > S- 0 0 35 -2,-0.5 3,-2.1 3,-0.4 2,-0.2 -0.895 85.6 -32.1 156.7-179.8 -18.1 23.9 -0.6 18 21 A D T 3 S+ 0 0 165 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.464 130.6 3.0 -70.0 127.2 -20.8 26.4 -1.3 19 22 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.616 113.4 106.8 73.5 7.0 -20.3 27.9 -4.8 20 23 A L < - 0 0 71 -3,-2.1 -3,-0.4 -6,-0.0 2,-0.4 -0.834 55.0-151.7-110.9 160.3 -17.3 25.6 -5.3 21 24 A S - 0 0 65 -2,-0.3 -6,-2.1 -8,-0.2 -5,-0.1 -0.990 20.3-143.4-140.1 138.2 -17.1 22.5 -7.6 22 25 A Q S S+ 0 0 35 -2,-0.4 92,-2.0 -8,-0.3 2,-0.4 0.639 92.0 50.8 -69.7 -20.9 -15.1 19.3 -7.4 23 26 A S E -E 113 0B 34 90,-0.2 2,-0.4 -8,-0.1 90,-0.2 -0.938 65.8-162.8-119.5 153.5 -14.8 19.4 -11.2 24 27 A A E -E 112 0B 14 88,-2.7 88,-2.7 -2,-0.4 2,-0.3 -0.989 7.9-164.2-128.9 146.7 -13.8 22.1 -13.7 25 28 A E E +E 111 0B 107 -2,-0.4 2,-0.3 86,-0.2 86,-0.2 -0.857 11.5 166.1-129.7 152.7 -14.5 22.2 -17.4 26 29 A G E -E 110 0B 17 84,-2.0 84,-2.3 -2,-0.3 2,-0.5 -0.983 31.6-125.2-158.0 163.4 -13.1 24.2 -20.3 27 30 A T E -E 109 0B 89 -2,-0.3 2,-0.4 82,-0.2 82,-0.2 -0.980 33.6-175.9-119.4 120.9 -13.0 24.4 -24.1 28 31 A F E -E 108 0B 37 80,-2.8 80,-3.0 -2,-0.5 2,-0.7 -0.919 26.7-116.5-127.1 140.1 -9.5 24.4 -25.6 29 32 A T E +E 107 0B 100 -2,-0.4 78,-0.2 78,-0.2 -22,-0.1 -0.675 33.2 176.1 -81.6 114.3 -8.1 24.8 -29.1 30 33 A F E -E 106 0B 3 76,-2.1 76,-1.0 -2,-0.7 75,-0.1 -0.832 44.6 -87.4-104.0 154.0 -6.2 21.8 -30.4 31 34 A P - 0 0 41 0, 0.0 75,-0.9 0, 0.0 -1,-0.1 -0.156 35.7-132.7 -56.0 147.1 -4.8 21.6 -34.0 32 35 A A S S+ 0 0 77 73,-0.3 2,-0.6 1,-0.1 -2,-0.0 0.882 84.0 69.0 -73.1 -40.7 -7.4 20.2 -36.4 33 36 A D + 0 0 101 1,-0.1 3,-0.2 72,-0.0 -1,-0.1 -0.737 44.2 163.9 -93.5 117.7 -5.3 17.6 -38.2 34 37 A V > + 0 0 29 -2,-0.6 3,-1.6 1,-0.1 -1,-0.1 0.308 45.8 107.7-108.7 13.4 -4.1 14.6 -36.2 35 38 A T T 3 S+ 0 0 44 1,-0.3 -1,-0.1 67,-0.0 -2,-0.0 0.730 87.1 38.8 -65.1 -24.9 -3.1 12.4 -39.2 36 39 A A T 3 S+ 0 0 38 -3,-0.2 97,-2.9 98,-0.1 2,-0.5 0.223 84.4 127.1-109.9 12.8 0.6 12.8 -38.4 37 40 A V E < +C 132 0A 0 -3,-1.6 95,-0.2 95,-0.2 3,-0.1 -0.617 26.2 170.9 -72.7 125.0 0.4 12.6 -34.7 38 41 A K E + 0 0 102 93,-2.7 2,-0.3 -2,-0.5 94,-0.2 0.789 66.7 4.7 -92.5 -44.7 2.7 10.0 -33.2 39 42 A T E -C 131 0A 40 92,-1.7 92,-3.0 59,-0.0 2,-0.4 -0.999 51.5-164.9-145.4 142.9 2.4 10.8 -29.5 40 43 A I E -C 130 0A 0 -2,-0.3 57,-2.5 90,-0.2 58,-0.8 -0.988 13.8-167.9-127.9 122.0 0.4 13.1 -27.2 41 44 A K E -CD 129 96A 61 88,-2.6 88,-2.5 -2,-0.4 2,-0.5 -0.943 7.3-153.0-109.3 128.6 1.6 13.5 -23.6 42 45 A M E -CD 128 95A 0 53,-2.9 53,-2.7 -2,-0.5 2,-0.5 -0.898 8.2-161.1 -97.8 135.1 -0.6 15.1 -21.0 43 46 A F E -CD 127 94A 10 84,-3.2 84,-2.1 -2,-0.5 2,-0.6 -0.955 2.1-162.9-122.9 126.7 1.1 16.9 -18.1 44 47 A I E -CD 126 93A 0 49,-2.7 49,-2.7 -2,-0.5 2,-0.4 -0.948 4.8-169.4-113.1 110.5 -0.7 17.7 -14.9 45 48 A K E -C 125 0A 80 80,-3.2 80,-2.1 -2,-0.6 2,-0.6 -0.864 4.7-161.6 -98.6 131.4 0.8 20.3 -12.5 46 49 A N E -C 124 0A 3 -2,-0.4 40,-2.0 78,-0.2 2,-0.7 -0.972 5.9-155.9-115.5 113.1 -0.6 20.6 -9.1 47 50 A E + 0 0 48 76,-1.7 76,-0.5 -2,-0.6 -2,-0.0 -0.852 27.7 154.9 -93.3 113.7 0.3 23.9 -7.4 48 51 A a > + 0 0 5 -2,-0.7 3,-0.6 74,-0.1 37,-0.4 -0.593 14.9 176.8-138.8 68.7 0.1 23.6 -3.6 49 52 A P G > + 0 0 68 0, 0.0 3,-1.5 0, 0.0 -2,-0.0 -0.512 65.3 0.5 -73.2 143.6 2.4 26.1 -1.9 50 53 A N G 3 S- 0 0 148 1,-0.3 34,-0.1 -2,-0.2 33,-0.0 0.798 122.7 -65.5 59.5 37.2 2.5 26.5 1.9 51 54 A K G < S+ 0 0 127 -3,-0.6 -1,-0.3 32,-0.2 4,-0.1 0.803 91.9 142.0 53.1 41.3 0.0 23.7 2.7 52 55 A T < + 0 0 74 -3,-1.5 2,-0.2 2,-0.1 -1,-0.1 0.445 50.3 72.6 -92.7 2.0 -2.8 25.7 1.1 53 56 A a S S- 0 0 5 30,-0.3 2,-0.5 -5,-0.1 68,-0.2 -0.685 101.5 -77.3-114.5 166.6 -4.5 22.6 -0.4 54 57 A D - 0 0 0 67,-2.8 4,-0.2 -2,-0.2 -2,-0.1 -0.487 47.4-149.8 -57.6 113.7 -6.5 19.7 0.8 55 58 A E + 0 0 38 -2,-0.5 28,-2.4 -4,-0.1 -1,-0.2 0.542 59.3 101.1 -79.1 -7.3 -3.7 17.7 2.2 56 59 A W S S- 0 0 133 26,-0.2 2,-1.1 27,-0.1 24,-0.0 -0.217 83.9-104.9 -75.8 160.4 -5.1 14.2 1.6 57 60 A D - 0 0 31 25,-0.1 2,-0.3 22,-0.1 25,-0.1 -0.788 53.1-170.7 -85.0 95.7 -4.2 11.8 -1.2 58 61 A R - 0 0 46 -2,-1.1 22,-2.5 23,-0.3 2,-0.1 -0.728 26.7-112.1-101.1 141.8 -7.3 12.3 -3.4 59 62 A Y E +F 79 0B 11 -2,-0.3 56,-3.0 56,-0.2 2,-0.3 -0.447 44.8 174.1 -56.5 138.9 -8.5 10.4 -6.5 60 63 A A E +FG 78 114B 0 18,-2.3 18,-2.7 54,-0.2 2,-0.3 -0.993 9.0 178.4-153.0 150.5 -8.4 12.7 -9.5 61 64 A N E -FG 77 113B 0 52,-2.2 52,-2.7 -2,-0.3 2,-0.4 -0.979 20.2-137.9-154.9 160.1 -9.0 12.4 -13.2 62 65 A V E -FG 76 112B 0 14,-2.5 13,-2.5 -2,-0.3 14,-1.4 -0.973 21.5-169.0-121.1 136.4 -9.2 14.1 -16.6 63 66 A Y E -FG 74 111B 9 48,-2.8 48,-2.1 -2,-0.4 2,-0.4 -0.903 13.9-150.5-124.2 153.8 -11.8 13.6 -19.3 64 67 A V E -FG 73 110B 0 9,-2.0 9,-3.1 -2,-0.3 2,-0.5 -0.947 25.6-126.8-115.9 141.1 -12.3 14.6 -23.0 65 68 A K E -F 72 0B 41 44,-2.5 2,-0.4 -2,-0.4 44,-0.3 -0.798 13.7-126.2 -92.0 130.2 -15.8 15.1 -24.3 66 69 A N > - 0 0 23 5,-2.8 4,-2.1 -2,-0.5 5,-0.1 -0.632 20.9-144.6 -71.0 120.3 -17.0 13.2 -27.5 67 70 A K T 4 S+ 0 0 114 -2,-0.4 -1,-0.2 1,-0.2 36,-0.0 0.752 93.0 38.9 -69.0 -26.5 -18.2 16.1 -29.6 68 71 A T T 4 S+ 0 0 125 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.862 125.0 31.2 -94.1 -39.0 -21.1 14.1 -31.1 69 72 A T T 4 S- 0 0 89 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.608 92.2-133.0 -92.4 -19.0 -22.4 11.9 -28.2 70 73 A G < + 0 0 40 -4,-2.1 2,-0.2 1,-0.3 -3,-0.1 0.467 56.5 143.3 78.9 0.1 -21.6 14.4 -25.4 71 74 A E - 0 0 92 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.4 -0.541 49.6-128.5 -80.3 143.1 -20.1 11.6 -23.3 72 75 A W E -F 65 0B 43 -7,-0.2 2,-0.5 -2,-0.2 -7,-0.2 -0.746 20.3-158.9 -86.2 130.8 -17.0 12.2 -21.1 73 76 A Y E -F 64 0B 5 -9,-3.1 -9,-2.0 -2,-0.4 2,-0.5 -0.955 18.4-126.4-112.9 127.8 -14.1 9.8 -21.6 74 77 A E E +F 63 0B 2 -2,-0.5 -11,-0.3 -11,-0.2 3,-0.1 -0.533 31.3 173.0 -74.4 117.2 -11.5 9.4 -18.9 75 78 A I E + 0 0 1 -13,-2.5 2,-0.3 -2,-0.5 -12,-0.2 0.622 64.2 5.8 -98.5 -20.0 -8.1 10.0 -20.5 76 79 A G E -F 62 0B 3 -14,-1.4 -14,-2.5 2,-0.0 2,-0.3 -0.966 57.2-162.9-163.2 148.9 -6.0 9.9 -17.3 77 80 A R E +F 61 0B 1 177,-0.4 177,-3.0 -2,-0.3 2,-0.3 -0.995 14.9 165.7-135.1 146.9 -6.2 9.2 -13.6 78 81 A F E -FH 60 253B 1 -18,-2.7 -18,-2.3 -2,-0.3 2,-0.4 -0.927 31.9-126.3-152.4 167.1 -3.9 10.1 -10.7 79 82 A I E -FH 59 252B 8 173,-1.8 172,-1.0 170,-0.4 173,-0.8 -0.982 35.3-121.6-114.8 124.8 -3.8 10.3 -6.9 80 83 A T - 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