==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-09 2WAO . COMPND 2 MOLECULE: ENDOGLUCANASE E; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR C.MONTAINER,V.A.MONEY,V.M.R.PIRES,J.E.FLINT,B.A.PINHEIRO, . 325 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 17.5 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 . 2 0.6 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-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 . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 3 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 0 1 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 5 1 0 1 1 0 1 0 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 1 0 0 0 0 1 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 10 A G 0 0 70 0, 0.0 27,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -30.1 17.9 -4.7 -3.7 2 11 A I - 0 0 42 25,-0.1 2,-0.5 106,-0.1 25,-0.2 -0.995 360.0-140.0-136.3 134.0 17.3 -4.1 0.1 3 12 A L E -A 26 0A 29 23,-3.0 23,-2.8 -2,-0.4 2,-0.8 -0.834 8.7-160.1 -95.1 127.6 19.0 -1.8 2.5 4 13 A Y E -A 25 0A 70 -2,-0.5 2,-1.0 21,-0.2 21,-0.2 -0.874 11.1-164.9-108.2 97.5 19.6 -3.2 6.0 5 14 A N E +A 24 0A 32 19,-2.8 19,-2.2 -2,-0.8 2,-0.3 -0.743 55.2 28.3 -91.6 98.4 20.1 -0.1 8.2 6 15 A G S S- 0 0 16 -2,-1.0 2,-0.9 17,-0.2 156,-0.1 -0.948 109.0 -38.9 150.3-172.6 21.6 -1.2 11.5 7 16 A R + 0 0 2 -2,-0.3 12,-0.5 183,-0.1 2,-0.4 -0.842 68.6 177.6 -86.4 104.6 23.8 -3.9 12.9 8 17 A F E -B 18 0A 3 -2,-0.9 2,-0.5 -4,-0.2 10,-0.2 -0.892 27.0-143.5-113.1 146.7 22.7 -7.0 11.0 9 18 A D E -B 17 0A 21 8,-2.8 8,-2.3 -2,-0.4 3,-0.2 -0.941 14.7-178.4-101.9 125.2 24.0 -10.6 11.2 10 19 A F + 0 0 117 -2,-0.5 -1,-0.1 6,-0.2 5,-0.1 0.210 49.7 109.7-107.3 17.2 23.9 -12.3 7.7 11 20 A S + 0 0 89 1,-0.1 -1,-0.1 6,-0.1 3,-0.0 0.789 65.4 69.4 -70.3 -26.4 25.1 -15.8 8.8 12 21 A D S > S- 0 0 43 3,-0.3 3,-1.9 -3,-0.2 -1,-0.1 -0.814 71.2-152.0 -95.0 117.3 21.8 -17.5 8.4 13 22 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.739 90.8 72.3 -62.7 -19.2 20.8 -17.9 4.7 14 23 A N T 3 S- 0 0 114 1,-0.2 -3,-0.0 -3,-0.0 -4,-0.0 0.746 118.4 -45.0 -65.2 -22.9 17.1 -17.9 5.7 15 24 A G < - 0 0 8 -3,-1.9 -3,-0.3 -5,-0.1 -1,-0.2 -0.711 63.3 -78.6 159.8 149.2 17.3 -14.1 6.6 16 25 A P - 0 0 13 0, 0.0 79,-2.5 0, 0.0 2,-0.3 -0.298 42.0-146.4 -64.5 146.1 19.2 -11.3 8.2 17 26 A K E +BC 9 94A 52 -8,-2.3 -8,-2.8 77,-0.2 2,-0.3 -0.896 20.5 170.4-118.5 146.2 19.0 -11.0 12.0 18 27 A C E +BC 8 93A 0 75,-2.4 75,-2.9 -2,-0.3 -10,-0.1 -0.948 17.7 176.1-150.8 166.2 19.1 -7.8 14.1 19 28 A A + 0 0 1 -12,-0.5 71,-0.2 171,-0.3 172,-0.1 0.522 45.9 101.5-140.3 -43.9 18.5 -6.7 17.7 20 29 A W S > S- 0 0 3 170,-0.4 3,-2.0 -13,-0.3 64,-0.1 -0.169 78.7 -93.0 -66.0 145.8 19.2 -3.1 18.4 21 30 A S T 3 S+ 0 0 1 144,-0.4 142,-0.7 142,-0.3 64,-0.2 -0.134 110.6 21.5 -41.8 138.9 16.5 -0.4 18.7 22 31 A G T 3 S+ 0 0 3 62,-2.4 -1,-0.3 1,-0.3 139,-0.1 0.496 78.2 155.6 78.5 -1.7 15.8 1.4 15.4 23 32 A S < - 0 0 2 -3,-2.0 61,-2.8 61,-0.2 2,-0.3 -0.403 25.2-176.8 -49.7 135.7 17.2 -1.5 13.2 24 33 A N E -AD 5 83A 12 -19,-2.2 -19,-2.8 59,-0.2 2,-0.4 -0.991 31.0-144.6-150.3 151.1 15.4 -0.9 9.9 25 34 A V E -AD 4 82A 0 57,-2.0 57,-3.0 -2,-0.3 2,-0.4 -0.933 22.2-168.8-111.9 133.6 14.9 -2.4 6.4 26 35 A E E +AD 3 81A 35 -23,-2.8 -23,-3.0 -2,-0.4 2,-0.3 -0.984 16.4 145.9-132.7 134.8 14.5 -0.0 3.6 27 36 A L E - D 0 80A 0 53,-2.4 53,-2.9 -2,-0.4 2,-0.4 -0.982 39.0-123.1-156.3 162.5 13.4 -0.8 -0.0 28 37 A N E - D 0 79A 36 78,-0.5 78,-2.6 -27,-0.4 2,-0.3 -0.930 31.9-179.4-108.9 138.7 11.5 0.4 -3.1 29 38 A F E -ED 105 78A 0 49,-2.4 49,-3.4 -2,-0.4 2,-0.5 -0.974 23.7-136.6-135.6 156.6 8.7 -1.8 -4.6 30 39 A Y E +ED 104 77A 86 74,-3.0 74,-2.0 -2,-0.3 2,-0.3 -0.941 65.1 51.2-106.9 127.4 6.3 -1.6 -7.5 31 40 A G E S- D 0 76A 5 45,-2.4 45,-1.3 -2,-0.5 70,-0.1 -0.995 88.8 -76.7 152.5-150.4 2.7 -2.6 -6.8 32 41 A T S S+ 0 0 47 68,-0.4 41,-2.3 -2,-0.3 2,-0.3 0.442 98.9 25.9-123.1 -11.6 -0.2 -2.1 -4.5 33 42 A E - 0 0 49 67,-0.4 2,-0.3 38,-0.2 38,-0.2 -0.969 53.9-157.1-153.3 160.7 0.8 -4.0 -1.4 34 43 A A E -F 70 0A 0 36,-2.0 35,-1.9 -2,-0.3 36,-1.5 -0.983 8.3-177.2-148.9 140.4 3.6 -5.4 0.6 35 44 A S E -FG 68 99A 13 64,-2.5 64,-2.4 -2,-0.3 2,-0.3 -0.896 5.0-166.1-130.5 158.1 4.0 -8.3 3.1 36 45 A V E -FG 67 98A 0 31,-2.2 31,-2.8 -2,-0.3 2,-0.5 -0.992 17.3-136.6-144.2 147.2 6.9 -9.5 5.3 37 46 A T E -FG 66 97A 34 60,-2.2 59,-3.1 -2,-0.3 60,-0.6 -0.948 28.9-175.6-105.0 126.6 7.6 -12.6 7.3 38 47 A I E -FG 65 95A 0 27,-2.7 27,-2.6 -2,-0.5 2,-0.5 -0.983 17.8-159.8-125.2 130.4 9.2 -11.9 10.7 39 48 A K E -FG 64 94A 102 55,-2.7 55,-2.8 -2,-0.4 2,-0.4 -0.941 18.4-174.1-103.6 134.2 10.5 -14.1 13.4 40 49 A S E -FG 63 93A 3 23,-2.6 23,-0.7 -2,-0.5 53,-0.2 -0.992 25.9-154.5-133.6 132.6 10.8 -12.5 16.9 41 50 A G E S- 0 0 58 51,-2.5 50,-0.2 -2,-0.4 2,-0.2 0.754 82.1 -1.1 -74.9 -25.8 12.3 -13.9 20.1 42 51 A G E S- 0 0 17 50,-0.3 20,-2.0 18,-0.2 2,-1.4 -0.524 109.6 -43.9-141.0-155.5 10.2 -11.7 22.3 43 52 A E E +F 61 0A 59 18,-0.3 2,-0.4 -2,-0.2 18,-0.2 -0.697 68.0 169.4 -87.1 88.0 7.5 -9.0 22.2 44 53 A N E -F 60 0A 0 16,-1.8 16,-2.6 -2,-1.4 2,-0.4 -0.838 19.8-151.9-100.8 146.6 8.9 -6.8 19.4 45 54 A W E -F 59 0A 48 -2,-0.4 40,-2.3 14,-0.2 41,-1.1 -0.904 12.4-172.5-118.5 147.8 7.0 -3.9 17.8 46 55 A F E -FH 58 84A 0 12,-3.0 12,-2.2 -2,-0.4 2,-0.4 -0.883 12.2-157.3-132.5 157.8 7.4 -2.6 14.3 47 56 A Q E - H 0 83A 17 36,-1.7 36,-3.1 -2,-0.3 2,-0.4 -0.993 10.7-147.5-137.1 136.2 6.1 0.3 12.1 48 57 A A E - H 0 82A 2 -2,-0.4 7,-2.9 8,-0.3 2,-0.5 -0.832 8.8-161.6 -92.3 135.0 6.0 0.5 8.3 49 58 A I E -IH 54 81A 6 32,-2.6 32,-1.9 -2,-0.4 2,-0.5 -0.977 11.3-169.7-119.5 114.3 6.6 4.0 6.9 50 59 A V E > -IH 53 80A 5 3,-2.6 3,-1.8 -2,-0.5 30,-0.2 -0.931 68.9 -18.3-119.2 117.9 5.3 4.0 3.3 51 60 A D T 3 S- 0 0 75 28,-3.0 -1,-0.2 -2,-0.5 29,-0.1 0.890 131.6 -50.1 50.7 42.6 6.0 6.9 1.0 52 61 A G T 3 S+ 0 0 54 27,-0.3 -1,-0.3 -3,-0.2 28,-0.1 0.430 114.8 116.4 81.8 0.5 6.8 8.9 4.2 53 62 A N E < -I 50 0A 105 -3,-1.8 -3,-2.6 0, 0.0 2,-0.3 -0.908 59.9-138.2-107.1 115.6 3.6 8.0 6.0 54 63 A P E -I 49 0A 67 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.573 20.8-149.8 -70.4 129.0 3.9 6.0 9.3 55 64 A L - 0 0 42 -7,-2.9 -7,-0.1 -2,-0.3 15,-0.0 -0.533 36.6 -70.9 -97.0 164.3 1.3 3.2 9.5 56 65 A P - 0 0 113 0, 0.0 -8,-0.3 0, 0.0 -1,-0.2 -0.291 61.3-116.2 -56.4 134.1 -0.3 1.8 12.7 57 66 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.222 31.5-164.7 -71.0 164.9 2.4 -0.2 14.5 58 67 A F E -F 46 0A 37 -12,-2.2 -12,-3.0 2,-0.0 2,-0.3 -0.972 10.2-130.2-147.1 157.2 2.2 -4.0 15.1 59 68 A S E -F 45 0A 50 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.835 6.1-161.8-111.2 154.5 3.8 -6.6 17.2 60 69 A V E -F 44 0A 2 -16,-2.6 -16,-1.8 -2,-0.3 2,-0.7 -0.972 23.4-162.6-127.7 114.3 5.3 -10.0 16.5 61 70 A N E -F 43 0A 86 -2,-0.4 -18,-0.3 -18,-0.2 3,-0.1 -0.856 56.1 -44.2-115.0 104.9 5.5 -11.8 19.8 62 71 A A E S+ 0 0 67 -20,-2.0 2,-0.3 -2,-0.7 -21,-0.2 0.864 117.3 77.8 51.0 47.4 7.8 -14.9 20.4 63 72 A T E S-F 40 0A 66 -23,-0.7 -23,-2.6 -21,-0.3 2,-0.5 -0.916 83.5-100.0-164.0 175.8 6.7 -16.4 17.1 64 73 A T E +F 39 0A 71 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.3 -0.993 45.8 171.0-115.3 125.9 7.1 -16.3 13.3 65 74 A S E -F 38 0A 42 -27,-2.6 -27,-2.7 -2,-0.5 2,-0.5 -0.997 34.4-137.3-138.7 145.1 4.4 -14.4 11.4 66 75 A T E -F 37 0A 99 -2,-0.3 2,-0.4 -29,-0.3 -29,-0.2 -0.879 31.9-169.9 -94.7 125.0 3.6 -13.2 7.9 67 76 A V E -F 36 0A 28 -31,-2.8 -31,-2.2 -2,-0.5 2,-0.8 -0.964 24.8-131.4-121.2 128.4 2.2 -9.7 8.2 68 77 A K E -F 35 0A 101 -2,-0.4 -33,-0.3 -33,-0.2 3,-0.1 -0.752 23.7-169.7 -77.0 112.6 0.5 -7.6 5.5 69 78 A L E - 0 0 15 -35,-1.9 2,-0.3 -2,-0.8 -34,-0.2 0.879 61.9 -16.9 -73.1 -40.9 2.4 -4.3 5.8 70 79 A V E +F 34 0A 18 -36,-1.5 -36,-2.0 -15,-0.0 2,-0.3 -0.969 65.0 175.5-162.7 151.8 0.2 -2.1 3.6 71 80 A S + 0 0 69 -2,-0.3 -38,-0.2 -38,-0.2 -3,-0.0 -0.964 52.6 50.0-156.9 167.4 -2.4 -2.7 0.9 72 81 A G S S+ 0 0 76 -2,-0.3 -39,-0.2 1,-0.2 2,-0.1 0.687 70.5 152.3 75.0 18.8 -4.8 -0.9 -1.5 73 82 A L - 0 0 44 -41,-2.3 -1,-0.2 1,-0.1 2,-0.1 -0.473 58.0 -91.2 -76.8 152.7 -2.2 1.6 -2.7 74 83 A A - 0 0 83 -2,-0.1 -43,-0.2 1,-0.1 2,-0.1 -0.437 56.4 -99.9 -55.7 129.0 -2.3 3.2 -6.1 75 84 A E S S+ 0 0 137 -2,-0.1 2,-0.3 -45,-0.1 -43,-0.2 -0.385 82.7 86.1 -57.9 126.7 -0.3 0.9 -8.4 76 85 A G E S-D 31 0A 16 -45,-1.3 -45,-2.4 -2,-0.1 2,-0.3 -0.974 84.1 -41.3 166.8-172.8 3.2 2.4 -8.8 77 86 A A E -D 30 0A 69 -2,-0.3 2,-0.3 -47,-0.2 -47,-0.3 -0.656 58.2-174.6 -81.6 135.7 6.6 2.7 -7.3 78 87 A H E -D 29 0A 16 -49,-3.4 -49,-2.4 -2,-0.3 2,-0.5 -0.966 21.8-133.5-132.3 150.0 6.6 3.0 -3.4 79 88 A H E -D 28 0A 54 -2,-0.3 -28,-3.0 -51,-0.2 2,-0.4 -0.898 25.5-169.9-103.6 131.8 9.2 3.6 -0.8 80 89 A L E -DH 27 50A 0 -53,-2.9 -53,-2.4 -2,-0.5 2,-0.4 -0.972 14.7-176.3-125.4 131.6 9.1 1.4 2.4 81 90 A V E -DH 26 49A 19 -32,-1.9 -32,-2.6 -2,-0.4 2,-0.6 -0.999 10.2-161.6-118.9 129.0 10.9 1.6 5.7 82 91 A L E -DH 25 48A 0 -57,-3.0 -57,-2.0 -2,-0.4 2,-0.4 -0.960 17.8-163.1-109.2 116.4 10.3 -1.3 8.2 83 92 A W E -DH 24 47A 24 -36,-3.1 -36,-1.7 -2,-0.6 2,-0.9 -0.836 20.9-139.4-114.6 129.0 11.4 -0.1 11.7 84 93 A K E - 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