==== 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 15-APR-10 3MKK . COMPND 2 MOLECULE: ALPHA-GLUCOSIDASE GH31 FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: RUMINOCOCCUS OBEUM; . AUTHOR K.TAN,C.TESAR,L.FREEMAN,G.BABNIGG,A.JOACHIMIAK,MIDWEST CENTE . 1328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 898 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 221 16.6 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 133 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 5 0 0 0 2 4 2 3 3 0 0 2 4 0 0 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 10 4 3 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 . 8 7 7 10 6 10 0 0 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 . 8 0 4 4 6 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 0 A A 0 0 136 0, 0.0 136,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.8 13.3 29.1 8.1 2 1 A M + 0 0 104 135,-0.1 135,-3.0 134,-0.1 2,-0.4 0.324 360.0 66.3 -86.4 6.4 11.6 28.1 11.4 3 2 A I E +A 136 0A 12 133,-0.2 2,-0.3 144,-0.0 133,-0.2 -1.000 64.0 178.9-123.6 129.6 13.5 24.7 11.2 4 3 A R E -A 135 0A 57 131,-1.9 131,-2.3 -2,-0.4 2,-0.5 -0.950 17.4-142.6-124.5 151.1 17.3 24.5 11.5 5 4 A K E -Ab 134 23A 24 17,-1.0 19,-3.0 -2,-0.3 2,-0.5 -0.956 8.6-165.0-118.7 121.2 19.5 21.4 11.5 6 5 A Y E -A 133 0A 9 127,-3.0 127,-2.8 -2,-0.5 2,-0.4 -0.886 11.5-157.7-105.4 124.1 22.6 21.0 13.7 7 6 A R E -A 132 0A 112 -2,-0.5 2,-0.4 17,-0.4 125,-0.2 -0.852 8.8-171.7-108.2 132.0 25.0 18.2 12.6 8 7 A Y E -A 131 0A 33 123,-3.0 123,-1.4 -2,-0.4 -2,-0.0 -0.974 57.5 -37.7-118.9 137.0 27.5 16.5 15.0 9 8 A G S S- 0 0 54 -2,-0.4 121,-0.2 121,-0.2 -2,-0.0 -0.132 107.8 -36.9 51.2-136.3 30.1 14.0 13.7 10 9 A A - 0 0 79 119,-0.1 -1,-0.2 -3,-0.0 120,-0.1 -0.800 68.7-155.1-126.0 83.5 28.9 11.7 10.9 11 10 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 120,-0.2 -0.273 19.2-114.4 -65.7 147.0 25.3 10.7 11.5 12 11 A F - 0 0 60 118,-0.4 2,-0.9 93,-0.1 118,-0.0 -0.630 36.7-112.8 -71.9 139.0 23.9 7.5 10.2 13 12 A D + 0 0 121 -2,-0.3 -1,-0.1 1,-0.2 93,-0.0 -0.633 40.2 173.3 -80.4 101.1 21.2 8.3 7.7 14 13 A T - 0 0 4 -2,-0.9 -1,-0.2 91,-0.0 92,-0.0 0.620 33.6-138.1 -84.0 -16.6 17.9 7.2 9.2 15 14 A E + 0 0 84 1,-0.1 -2,-0.1 395,-0.0 -1,-0.0 0.677 57.2 138.9 59.1 21.5 15.6 8.6 6.5 16 15 A A + 0 0 0 2,-0.0 2,-0.3 395,-0.0 -1,-0.1 0.921 61.9 54.9 -54.9 -47.9 13.2 9.9 9.3 17 16 A L - 0 0 24 1,-0.1 135,-0.3 392,-0.1 134,-0.1 -0.692 56.8-170.1 -89.5 146.1 12.6 13.2 7.3 18 17 A T S S+ 0 0 84 133,-2.1 2,-0.4 -2,-0.3 134,-0.2 0.593 72.5 79.3 -97.9 -18.7 11.5 13.4 3.7 19 18 A E S S- 0 0 72 132,-2.0 2,-0.3 1,-0.0 -2,-0.1 -0.744 80.5-129.7 -93.2 131.5 12.3 17.2 3.6 20 19 A K - 0 0 199 -2,-0.4 2,-0.4 -3,-0.0 -2,-0.1 -0.617 24.3-171.5 -75.2 137.3 15.9 18.4 3.2 21 20 A I - 0 0 22 -2,-0.3 -17,-0.1 -17,-0.0 2,-0.1 -0.999 23.5-119.1-131.5 131.7 17.1 21.0 5.7 22 21 A E - 0 0 173 -2,-0.4 -17,-1.0 1,-0.1 2,-0.4 -0.360 33.7-101.7 -68.7 148.3 20.4 22.8 5.3 23 22 A T B -b 5 0A 53 -19,-0.1 2,-0.2 -17,-0.1 -17,-0.2 -0.608 36.3-132.2 -69.8 122.9 23.0 22.4 8.1 24 23 A A - 0 0 16 -19,-3.0 -17,-0.4 -2,-0.4 -1,-0.0 -0.551 17.6-168.5 -75.5 142.5 23.1 25.4 10.3 25 24 A E + 0 0 174 -2,-0.2 -1,-0.1 -19,-0.1 3,-0.1 0.446 56.3 90.3-110.8 -4.4 26.5 27.0 11.1 26 25 A E S S- 0 0 104 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.252 91.9 -62.0 -82.6 177.7 25.7 29.4 13.9 27 26 A A - 0 0 83 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.241 61.9 -96.1 -55.5 142.1 25.6 28.8 17.7 28 27 A F - 0 0 32 1,-0.1 -1,-0.1 -3,-0.1 5,-0.1 -0.479 40.0-139.8 -58.4 131.3 23.2 26.1 19.0 29 28 A P S S+ 0 0 44 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.638 71.5 43.6 -83.5 -17.7 20.2 28.3 20.0 30 29 A Y S S- 0 0 43 13,-0.0 12,-0.1 2,-0.0 -2,-0.0 -0.990 106.2 -30.6-129.7 138.5 19.0 26.7 23.3 31 30 A G S S- 0 0 41 -2,-0.4 2,-0.3 13,-0.1 12,-0.2 -0.179 89.5 -50.3 64.3-152.6 20.7 25.4 26.3 32 31 A E E -F 42 0B 142 10,-3.0 10,-2.4 -3,-0.0 2,-0.4 -0.950 37.7-151.8-127.6 146.8 24.2 23.8 26.2 33 32 A I E -F 41 0B 43 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.962 14.7-172.4-117.3 128.8 25.8 21.1 24.1 34 33 A S E +F 40 0B 43 6,-3.0 6,-2.0 -2,-0.4 3,-0.1 -0.974 21.1 178.8-121.5 142.2 28.7 19.0 25.4 35 34 A Q > + 0 0 116 -2,-0.4 3,-0.6 4,-0.2 94,-0.1 0.141 54.8 109.9-120.3 19.7 30.9 16.6 23.5 36 35 A K T 3 S+ 0 0 181 1,-0.3 3,-0.1 4,-0.1 -1,-0.1 0.761 93.4 12.7 -69.0 -34.1 33.1 15.7 26.5 37 36 A E T 3 S- 0 0 173 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 -0.507 133.0 -57.7-143.2 71.2 31.8 12.2 27.1 38 37 A G S < S- 0 0 21 -3,-0.6 2,-0.4 87,-0.1 89,-0.2 -0.802 102.1 -34.9 81.4-129.5 29.8 11.3 24.0 39 38 A F E + G 0 126B 3 87,-2.6 87,-1.9 -2,-0.5 2,-0.3 -0.989 57.0 173.6-134.1 139.4 27.1 13.8 23.5 40 39 A A E -FG 34 125B 13 -6,-2.0 -6,-3.0 -2,-0.4 2,-0.4 -0.977 14.6-164.9-145.3 130.6 24.8 15.8 25.9 41 40 A F E -FG 33 124B 0 83,-2.9 83,-2.9 -2,-0.3 2,-0.4 -0.964 18.6-172.5-104.2 132.9 22.3 18.5 25.5 42 41 A T E +FG 32 123B 38 -10,-2.4 -10,-3.0 -2,-0.4 2,-0.4 -0.996 7.5 174.1-134.5 129.8 21.4 20.3 28.8 43 42 A Y E - G 0 122B 30 79,-2.7 79,-2.9 -2,-0.4 2,-0.7 -1.000 26.6-137.0-139.6 133.9 18.7 22.8 29.3 44 43 A I E - G 0 121B 100 -2,-0.4 77,-0.2 77,-0.2 2,-0.2 -0.824 28.3-147.5 -94.5 115.5 17.4 24.5 32.4 45 44 A M - 0 0 7 75,-2.9 2,-0.2 -2,-0.7 51,-0.0 -0.514 14.0-115.6 -82.2 148.8 13.5 24.6 32.3 46 45 A D > - 0 0 56 -2,-0.2 3,-1.8 52,-0.2 -1,-0.1 -0.520 36.2-109.9 -71.5 152.5 11.3 27.3 33.8 47 46 A E T 3 S+ 0 0 152 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.793 117.8 48.9 -64.3 -28.4 9.2 25.9 36.6 48 47 A D T 3 S+ 0 0 47 2,-0.1 -1,-0.3 0, 0.0 47,-0.0 0.513 83.2 123.6 -86.8 -5.2 6.0 26.3 34.5 49 48 A D < - 0 0 2 -3,-1.8 2,-0.4 47,-0.1 47,-0.2 -0.266 47.0-155.2 -59.1 138.5 7.4 24.5 31.4 50 49 A I E -C 95 0A 6 45,-2.5 45,-3.3 13,-0.0 2,-0.6 -0.908 6.3-147.7-103.2 141.1 5.6 21.5 30.0 51 50 A V E -C 94 0A 0 -2,-0.4 12,-3.0 43,-0.2 13,-0.3 -0.962 19.8-173.1-110.9 112.8 7.6 19.0 27.9 52 51 A Y E +C 93 0A 6 41,-2.6 41,-2.7 -2,-0.6 2,-0.3 -0.676 35.3 38.6 -93.8 159.1 5.6 17.3 25.2 53 52 A G E +C 92 0A 0 8,-0.4 39,-0.2 -2,-0.3 4,-0.1 -0.783 28.4 133.7 122.9-148.6 6.4 14.4 22.9 54 53 A L - 0 0 5 37,-3.0 35,-0.4 -2,-0.3 38,-0.1 0.515 56.6-141.2 69.2 10.8 8.3 11.1 22.9 55 54 A G S S+ 0 0 0 383,-0.5 2,-1.2 36,-0.3 384,-0.3 -0.065 79.0 18.5 47.3-124.5 5.4 9.3 21.1 56 55 A E S S+ 0 0 2 382,-0.2 31,-0.4 383,-0.1 2,-0.3 -0.727 95.0 121.5 -81.6 98.6 5.1 5.8 22.6 57 56 A S - 0 0 15 -2,-1.2 27,-0.1 -4,-0.1 381,-0.1 -0.896 62.4 -76.5-147.8 173.7 6.9 6.1 25.9 58 57 A N S S+ 0 0 7 -2,-0.3 2,-0.1 24,-0.2 22,-0.1 -0.166 82.8 5.4 -79.5 160.4 5.9 5.6 29.5 59 58 A R S S- 0 0 23 20,-0.0 -2,-0.1 2,-0.0 4,-0.1 -0.403 94.9 -7.7 75.6-134.1 3.9 7.8 31.9 60 59 A G - 0 0 8 2,-0.4 -3,-0.1 4,-0.2 1167,-0.0 -0.186 56.9-104.4-107.0-177.5 2.1 11.0 31.0 61 60 A I S S+ 0 0 5 1,-0.1 2,-0.7 -9,-0.1 -8,-0.4 0.898 114.2 58.3 -69.3 -45.5 1.5 13.7 28.3 62 61 A N S S- 0 0 7 1,-0.1 -2,-0.4 1164,-0.1 -10,-0.2 -0.834 79.3-161.2 -83.2 115.8 3.7 16.1 30.2 63 62 A K > + 0 0 3 -12,-3.0 3,-0.8 -2,-0.7 51,-0.2 0.518 47.8 120.7 -82.9 -6.6 7.0 14.1 30.3 64 63 A R T 3 + 0 0 22 -13,-0.3 51,-0.2 1,-0.2 -4,-0.2 -0.262 60.0 42.3 -56.7 142.8 8.5 16.1 33.2 65 64 A G T 3 S+ 0 0 6 49,-2.3 2,-0.2 1,-0.3 -1,-0.2 0.454 104.2 58.0 102.1 3.2 9.5 14.2 36.3 66 65 A Y E < S-Hi 114 115B 0 48,-1.1 48,-2.0 -3,-0.8 50,-0.6 -0.872 73.9-103.7-151.4-174.7 11.0 11.0 34.8 67 66 A C E -H 113 0B 10 -2,-0.2 2,-0.4 46,-0.2 46,-0.2 -0.953 26.7-171.4-120.9 133.4 13.7 9.3 32.6 68 67 A Y E -H 112 0B 4 44,-2.6 44,-3.5 -2,-0.4 2,-0.5 -0.997 3.5-165.9-130.7 126.7 12.9 8.0 29.1 69 68 A I E -H 111 0B 32 14,-3.3 2,-0.9 -2,-0.4 42,-0.2 -0.964 17.5-139.9-118.2 119.1 15.4 5.9 27.1 70 69 A S E +H 110 0B 9 40,-2.9 40,-1.5 -2,-0.5 2,-0.2 -0.730 55.0 128.0 -81.5 107.8 14.8 5.4 23.4 71 70 A N - 0 0 45 -2,-0.9 16,-0.1 16,-0.4 -2,-0.1 -0.684 63.5-122.8-167.9 90.1 15.8 1.8 23.0 72 71 A C + 0 0 1 -2,-0.2 2,-0.4 239,-0.1 14,-0.3 -0.255 44.2 177.0 -53.9 118.5 13.3 -0.5 21.4 73 72 A T - 0 0 40 12,-1.9 2,-1.2 2,-0.1 240,-0.1 -0.995 37.4-131.9-136.7 132.6 12.7 -3.2 24.0 74 73 A D + 0 0 24 -2,-0.4 240,-0.1 238,-0.1 11,-0.1 -0.724 49.1 148.5 -82.1 96.5 10.4 -6.2 24.2 75 74 A D - 0 0 29 -2,-1.2 346,-0.2 1,-0.1 11,-0.1 -0.935 29.8-170.7-133.7 113.1 9.1 -5.7 27.7 76 75 A P + 0 0 56 0, 0.0 2,-0.6 0, 0.0 379,-0.1 0.302 69.7 79.1 -89.4 12.4 5.5 -6.9 28.5 77 76 A I - 0 0 56 2,-0.1 2,-1.9 346,-0.0 5,-0.1 -0.832 60.1-171.7-119.8 91.2 5.2 -5.2 32.0 78 77 A H + 0 0 6 -2,-0.6 2,-0.2 343,-0.3 345,-0.1 -0.542 25.4 153.4 -89.9 72.8 4.4 -1.5 31.4 79 78 A T > - 0 0 12 -2,-1.9 3,-1.9 1,-0.0 -2,-0.1 -0.599 59.4 -97.6 -97.5 167.3 4.8 -0.3 35.0 80 79 A E T 3 S+ 0 0 40 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.658 117.4 60.3 -66.2 -24.0 5.8 3.3 36.0 81 80 A D T 3 S+ 0 0 24 -15,-0.1 -1,-0.3 -22,-0.0 -14,-0.1 0.678 76.6 112.3 -72.9 -22.4 9.4 2.5 36.5 82 81 A K < - 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