==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-AUG-11 3T9G . COMPND 2 MOLECULE: PECTATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CALDICELLULOSIRUPTOR BESCII; . AUTHOR P.M.ALAHUHTA,V.V.LUNIN . 391 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 80.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 210 53.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 50 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 4.9 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+4), 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 . 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 3 10 4 2 4 0 2 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 1 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 -2 A V 0 0 167 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -73.9 31.2 58.0 24.7 2 -1 A G > - 0 0 26 1,-0.1 3,-1.7 25,-0.1 25,-0.1 -0.582 360.0-101.1-114.2 178.0 32.3 60.7 22.2 3 0 A T T 3 S+ 0 0 124 1,-0.3 24,-0.1 -2,-0.2 23,-0.1 0.750 119.6 52.1 -73.9 -17.4 33.6 64.1 22.6 4 1 A N T > S+ 0 0 67 22,-2.3 3,-2.3 21,-0.1 25,-0.3 0.405 77.5 133.3 -95.7 3.8 30.3 65.8 21.9 5 2 A T T < S+ 0 0 77 -3,-1.7 23,-0.2 21,-0.6 3,-0.1 -0.327 71.6 25.4 -54.6 126.7 28.4 63.7 24.6 6 3 A G T 3 S+ 0 0 77 21,-0.5 -1,-0.3 1,-0.4 2,-0.2 0.068 98.3 111.1 98.4 -11.9 26.3 66.0 26.7 7 4 A G < - 0 0 29 -3,-2.3 22,-1.8 20,-0.0 2,-0.4 -0.557 53.7-152.1 -87.2 149.5 25.9 68.7 24.0 8 5 A V E -a 29 0A 81 -2,-0.2 2,-0.6 20,-0.2 22,-0.2 -0.995 1.3-157.7-125.4 119.8 22.7 69.4 22.3 9 6 A L E -a 30 0A 67 20,-2.7 22,-2.5 -2,-0.4 2,-0.6 -0.884 8.3-158.5 -96.4 118.5 22.4 70.8 18.8 10 7 A V E -a 31 0A 70 -2,-0.6 2,-0.3 20,-0.2 22,-0.2 -0.824 15.8-174.3-100.1 121.8 19.1 72.5 18.1 11 8 A I E -a 32 0A 16 20,-2.1 22,-2.5 -2,-0.6 24,-0.1 -0.796 27.0-164.2-116.2 158.0 18.3 72.7 14.4 12 9 A T S S+ 0 0 98 -2,-0.3 2,-0.3 20,-0.2 -1,-0.1 0.285 75.9 33.8-126.2 6.1 15.6 74.4 12.4 13 10 A D S S- 0 0 89 34,-0.1 -1,-0.2 22,-0.0 22,-0.1 -0.973 95.4 -75.0-149.8 162.8 16.0 72.6 9.1 14 11 A T - 0 0 28 -2,-0.3 2,-0.7 1,-0.1 34,-0.2 -0.281 42.6-126.8 -48.4 133.1 17.0 69.2 7.7 15 12 A I E -b 48 0A 29 32,-2.7 34,-2.8 31,-0.1 2,-0.6 -0.789 24.3-150.6 -81.7 118.7 20.7 68.3 7.8 16 13 A I E -b 49 0A 94 -2,-0.7 2,-0.7 32,-0.2 34,-0.2 -0.813 8.5-164.0 -95.7 126.0 21.7 67.3 4.3 17 14 A V E -b 50 0A 5 32,-3.1 34,-2.5 -2,-0.6 37,-0.2 -0.929 19.0-143.4-109.6 107.3 24.6 64.9 4.1 18 15 A K > - 0 0 104 -2,-0.7 3,-2.1 32,-0.2 37,-0.2 -0.339 34.9 -69.3 -71.1 164.6 25.9 64.9 0.5 19 16 A S T 3 S+ 0 0 78 1,-0.3 34,-0.2 35,-0.1 35,-0.2 -0.170 119.3 12.2 -58.7 136.1 27.2 61.9 -1.4 20 17 A G T 3 S+ 0 0 62 33,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.333 100.3 117.9 74.3 -5.0 30.5 60.5 -0.1 21 18 A Q < - 0 0 120 -3,-2.1 34,-2.2 34,-0.0 2,-0.5 -0.757 52.5-149.4 -95.9 142.7 30.4 62.5 3.1 22 19 A T E - c 0 55A 78 -2,-0.3 2,-0.7 32,-0.2 34,-0.2 -0.973 6.6-153.5-106.4 113.4 30.2 61.0 6.6 23 20 A Y E - c 0 56A 64 32,-2.1 34,-2.5 -2,-0.5 2,-0.6 -0.839 15.1-172.1 -83.1 116.4 28.4 63.1 9.3 24 21 A D E - c 0 57A 57 -2,-0.7 34,-0.2 32,-0.2 35,-0.1 -0.922 13.5-172.8-114.8 105.2 29.9 62.1 12.6 25 22 A G E > - 0 0 1 32,-2.7 3,-2.1 -2,-0.6 33,-0.2 0.582 25.0-143.8 -73.1 -11.8 28.0 63.6 15.5 26 23 A K E 3 S- 0 0 95 31,-0.3 -22,-2.3 1,-0.3 -21,-0.6 0.782 75.5 -44.6 51.0 33.1 30.6 62.3 18.0 27 24 A G E 3 S+ 0 0 6 31,-2.5 -21,-0.5 1,-0.2 -1,-0.3 0.459 96.2 152.0 89.8 3.9 27.7 61.7 20.5 28 25 A I E < - c 0 59A 23 -3,-2.1 32,-2.5 30,-0.5 2,-0.4 -0.212 39.7-134.8 -60.3 149.5 25.8 64.9 20.0 29 26 A K E -ac 8 60A 60 -22,-1.8 -20,-2.7 -25,-0.3 2,-0.4 -0.926 17.5-148.5-102.4 137.6 22.0 64.9 20.6 30 27 A I E -ac 9 61A 1 30,-2.9 32,-2.8 -2,-0.4 2,-0.4 -0.893 13.8-174.2-110.8 131.9 20.0 66.7 18.1 31 28 A I E -a 10 0A 40 -22,-2.5 -20,-2.1 -2,-0.4 2,-0.4 -0.995 15.1-149.2-124.0 120.5 16.7 68.5 18.8 32 29 A A E -a 11 0A 4 32,-0.5 2,-0.4 -2,-0.4 -20,-0.2 -0.775 7.0-159.9 -93.8 141.2 14.7 69.8 15.9 33 30 A Q S S+ 0 0 110 -22,-2.5 4,-0.1 -2,-0.4 -2,-0.0 -0.929 71.3 3.6-122.1 140.9 12.5 72.9 16.0 34 31 A G S S+ 0 0 84 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.695 103.3 95.9 59.6 27.6 9.7 73.7 13.6 35 32 A M S S- 0 0 4 1,-0.5 10,-2.0 -24,-0.1 32,-0.3 0.257 94.6 -48.6-125.1 2.5 10.1 70.5 11.7 36 33 A G - 0 0 28 8,-0.2 -1,-0.5 30,-0.1 -2,-0.1 -0.588 36.6-115.1 140.9 159.6 7.4 68.3 13.3 37 34 A D - 0 0 105 -2,-0.2 28,-0.2 -3,-0.1 -1,-0.1 0.390 53.1-111.3-104.8 -0.2 6.0 67.1 16.5 38 35 A G S S+ 0 0 17 26,-0.2 27,-0.1 1,-0.2 6,-0.0 0.532 76.6 127.9 79.2 10.4 6.9 63.4 16.2 39 36 A S S S- 0 0 38 1,-0.1 -1,-0.2 47,-0.0 5,-0.0 -0.061 80.8 -90.5 -80.5-170.8 3.2 62.4 15.8 40 37 A Q S S+ 0 0 82 -3,-0.1 -1,-0.1 69,-0.0 46,-0.0 0.489 83.1 128.6 -82.2 6.3 1.8 60.4 13.1 41 38 A S - 0 0 63 1,-0.1 3,-0.1 2,-0.1 -3,-0.1 -0.259 57.5-143.1 -59.9 142.7 1.1 63.5 11.0 42 39 A E S S+ 0 0 86 1,-0.2 2,-1.5 45,-0.0 -1,-0.1 0.615 82.5 87.8 -79.7 -10.9 2.5 63.2 7.5 43 40 A N + 0 0 161 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.351 66.7 115.6 -92.3 54.4 3.4 66.9 7.4 44 41 A Q - 0 0 18 -2,-1.5 -8,-0.2 -3,-0.1 -9,-0.1 -0.968 56.4-130.1-134.8 145.0 7.0 66.6 8.9 45 42 A K - 0 0 92 -10,-2.0 22,-2.6 -2,-0.4 23,-0.2 -0.524 28.7-109.3 -89.9 151.1 10.6 67.1 7.8 46 43 A P - 0 0 18 0, 0.0 23,-0.2 0, 0.0 22,-0.2 -0.518 13.3-140.1 -70.2 149.7 13.4 64.6 8.2 47 44 A I S S+ 0 0 2 21,-2.2 -32,-2.7 18,-0.3 2,-0.4 0.907 90.9 22.3 -70.8 -43.2 16.1 65.4 10.7 48 45 A F E -bd 15 69A 0 20,-1.6 22,-2.8 -34,-0.2 2,-0.5 -0.979 61.7-160.5-126.3 140.4 18.7 64.1 8.2 49 46 A K E -bd 16 70A 67 -34,-2.8 -32,-3.1 -2,-0.4 2,-0.8 -0.986 13.3-164.0-115.1 113.8 18.7 63.6 4.4 50 47 A L E -bd 17 71A 0 20,-3.2 22,-2.3 -2,-0.5 23,-0.2 -0.879 11.1-150.3-101.8 102.7 21.4 61.2 3.4 51 48 A E > - 0 0 39 -34,-2.5 3,-2.5 -2,-0.8 22,-0.2 -0.256 46.6 -60.5 -60.0 171.4 22.0 61.5 -0.3 52 49 A K T 3 S+ 0 0 87 1,-0.3 22,-0.2 20,-0.2 -1,-0.2 -0.302 129.7 13.8 -57.0 129.4 23.2 58.4 -2.2 53 50 A G T 3 S+ 0 0 25 20,-2.3 -33,-0.4 1,-0.3 -1,-0.3 0.417 97.5 128.9 83.9 4.6 26.5 57.3 -0.8 54 51 A A < - 0 0 0 -3,-2.5 22,-0.5 19,-0.4 2,-0.3 -0.587 39.5-157.6 -92.7 153.8 26.2 59.5 2.4 55 52 A N E -c 22 0A 40 -34,-2.2 -32,-2.1 -37,-0.2 2,-0.3 -0.817 7.9-160.1-131.7 165.2 26.7 58.1 5.9 56 53 A L E +ce 23 77A 1 20,-2.4 22,-2.6 -2,-0.3 2,-0.3 -0.990 15.1 169.2-148.2 135.1 25.8 59.1 9.4 57 54 A K E +ce 24 78A 61 -34,-2.5 -32,-2.7 -2,-0.3 -31,-0.3 -0.998 49.7 15.2-146.5 152.1 27.2 58.0 12.8 58 55 A N E S+ 0 0 38 20,-1.9 -31,-2.5 -2,-0.3 -30,-0.5 0.886 76.2 134.2 61.1 54.7 27.2 58.7 16.4 59 56 A V E -ce 28 80A 1 20,-0.6 22,-2.3 19,-0.2 2,-0.5 -0.982 43.9-149.6-130.1 142.4 24.1 60.9 16.8 60 57 A I E -ce 29 81A 47 -32,-2.5 -30,-2.9 -2,-0.4 2,-0.7 -0.958 14.8-151.5-104.2 126.3 21.2 60.8 19.4 61 58 A I E -ce 30 82A 1 20,-3.2 22,-2.1 -2,-0.5 23,-0.6 -0.885 16.7-160.8 -99.4 109.3 18.0 62.0 17.9 62 59 A G - 0 0 1 -32,-2.8 -30,-0.3 -2,-0.7 22,-0.0 -0.373 34.6 -45.2 -79.4 167.0 15.9 63.5 20.7 63 60 A A S S+ 0 0 48 1,-0.1 -1,-0.1 -32,-0.1 22,-0.1 -0.498 113.3 57.8 -63.6 144.7 12.2 64.1 20.7 64 61 A P - 0 0 33 0, 0.0 -32,-0.5 0, 0.0 -26,-0.2 0.415 66.1-174.8 -77.3 136.4 10.5 65.3 18.5 65 62 A G > - 0 0 0 19,-0.4 3,-2.5 -28,-0.2 21,-0.4 0.585 13.8-176.1 -78.0 -4.9 11.7 62.7 16.1 66 63 A C T 3 - 0 0 0 1,-0.3 21,-2.4 19,-0.1 22,-0.5 -0.180 68.0 -29.8 45.4-134.2 9.9 64.4 13.2 67 64 A D T 3 S- 0 0 14 -22,-2.6 -1,-0.3 1,-0.3 24,-0.2 -0.042 86.6-145.9-104.9 31.0 10.3 62.1 10.1 68 65 A G < - 0 0 0 -3,-2.5 -21,-2.2 -23,-0.2 -20,-1.6 -0.077 52.0 -10.5 60.6-138.8 13.7 60.8 11.2 69 66 A I E -df 48 90A 0 20,-2.3 22,-2.5 -22,-0.2 2,-0.5 -0.931 53.5-153.8-105.5 131.6 16.3 59.9 8.5 70 67 A H E -df 49 91A 18 -22,-2.8 -20,-3.2 -2,-0.5 2,-0.5 -0.916 14.5-163.2-104.3 119.9 15.7 59.9 4.8 71 68 A C E -df 50 92A 0 20,-3.0 22,-3.1 -2,-0.5 23,-0.8 -0.924 16.2-170.3-108.2 127.9 18.1 57.5 2.9 72 69 A Y - 0 0 66 -22,-2.3 -20,-0.2 -2,-0.5 -21,-0.1 0.382 61.8 -77.0-103.2 10.6 18.6 57.8 -0.9 73 70 A G S S+ 0 0 0 -23,-0.2 -20,-2.3 -22,-0.2 -19,-0.4 -0.096 105.2 51.9 114.9 154.1 20.6 54.6 -1.1 74 71 A D S S+ 0 0 83 23,-0.7 2,-0.4 -22,-0.2 24,-0.2 0.957 77.7 145.1 52.9 55.2 24.1 53.2 -0.4 75 72 A N E - g 0 98A 2 22,-1.9 24,-2.4 -22,-0.1 2,-0.5 -0.948 42.5-154.2-121.4 141.5 24.1 54.5 3.2 76 73 A V E - g 0 99A 39 -22,-0.5 -20,-2.4 -2,-0.4 2,-0.6 -0.986 7.6-170.3-111.5 131.0 25.5 53.4 6.4 77 74 A V E -eg 56 100A 1 22,-3.0 24,-2.7 -2,-0.5 2,-0.5 -0.967 17.7-176.8-122.0 99.1 23.8 54.6 9.7 78 75 A E E -eg 57 101A 80 -22,-2.6 -20,-1.9 -2,-0.6 -19,-0.2 -0.927 56.4 -8.0-111.7 136.0 26.0 53.6 12.6 79 76 A N E S+ 0 0 61 22,-2.7 -20,-0.6 -2,-0.5 2,-0.5 0.893 81.1 158.0 52.5 45.5 25.4 54.0 16.3 80 77 A V E -e 59 0A 1 22,-0.4 24,-1.5 -3,-0.2 2,-0.5 -0.876 24.7-159.7 -97.2 131.7 22.3 56.2 15.9 81 78 A V E -eh 60 104A 37 -22,-2.3 -20,-3.2 -2,-0.5 2,-0.9 -0.952 6.8-161.1-116.5 116.8 20.0 56.3 18.9 82 79 A W E -eh 61 105A 1 22,-2.7 24,-1.4 -2,-0.5 3,-0.4 -0.862 5.5-172.9 -93.0 110.0 16.4 57.4 18.4 83 80 A E S S+ 0 0 62 -22,-2.1 2,-0.2 -2,-0.9 -1,-0.2 0.792 81.4 7.1 -75.7 -25.1 15.3 58.3 21.9 84 81 A D S S- 0 0 68 -23,-0.6 -19,-0.4 -3,-0.1 -1,-0.3 -0.739 83.5-136.2-159.1 99.6 11.7 58.8 20.8 85 82 A V - 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