==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JAN-12 4AFM . COMPND 2 MOLECULE: ENDOGLUCANASE CEL5A; . SOURCE 2 ORGANISM_SCIENTIFIC: EUBACTERIUM CELLULOSOLVENS; . AUTHOR A.S.LUIS,I.VENDITTO,J.A.M.PRATES,L.M.A.FERREIRA,H.J.GILBERT, . 127 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 61.4 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 . 50 39.4 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 . 2 1.6 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 . 1 0.8 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 . 11 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 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 . 1 0 2 0 2 1 0 2 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 1 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 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 39 A G 0 0 79 0, 0.0 124,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-165.8 -7.0 5.6 -11.6 2 40 A D E -A 124 0A 108 122,-0.2 2,-0.6 120,-0.0 122,-0.2 -0.906 360.0-162.8-116.6 132.0 -6.1 5.4 -7.9 3 41 A I E -A 123 0A 44 120,-2.9 120,-2.7 -2,-0.4 2,-0.7 -0.959 15.0-139.8-115.9 124.9 -3.4 3.3 -6.4 4 42 A V E +A 122 0A 79 -2,-0.6 118,-0.3 118,-0.2 3,-0.2 -0.770 21.1 177.2 -86.6 115.4 -3.4 2.6 -2.6 5 43 A L E S- 0 0 27 116,-2.8 2,-0.3 -2,-0.7 117,-0.2 0.649 73.0 -6.2 -86.5 -24.4 0.2 2.8 -1.4 6 44 A F E +A 121 0A 62 115,-1.5 115,-2.6 20,-0.0 -1,-0.4 -0.874 57.0 178.3-165.1 139.6 -0.9 2.2 2.2 7 45 A S E +A 120 0A 81 -2,-0.3 2,-0.3 113,-0.2 113,-0.2 -0.947 50.1 63.8-142.2 134.8 -4.2 1.9 4.2 8 46 A G E S- 0 0 39 111,-2.1 2,-0.2 -2,-0.3 -2,-0.0 -0.907 93.4 -56.2 159.8-132.4 -4.2 1.1 8.0 9 47 A S E + 0 0 96 -2,-0.3 2,-0.7 2,-0.1 110,-0.2 -0.716 49.7 177.6-149.4 87.7 -3.0 3.1 11.0 10 48 A K E -A 118 0A 90 108,-2.9 108,-2.6 -2,-0.2 2,-0.4 -0.854 11.4-163.6-100.8 114.1 0.7 3.9 10.9 11 49 A H E -A 117 0A 83 -2,-0.7 2,-0.5 106,-0.2 106,-0.3 -0.819 5.7-169.8-100.7 138.6 1.8 6.0 13.9 12 50 A V E -A 116 0A 8 104,-2.9 104,-2.3 -2,-0.4 2,-0.4 -0.986 9.2-152.6-126.8 118.1 5.1 7.9 14.0 13 51 A E + 0 0 151 -2,-0.5 2,-0.2 102,-0.2 100,-0.1 -0.757 30.8 148.1 -88.6 131.2 6.4 9.5 17.2 14 52 A F + 0 0 21 -2,-0.4 98,-2.1 98,-0.4 101,-0.2 -0.683 11.4 171.3-165.9 98.7 8.6 12.5 16.8 15 53 A T - 0 0 87 96,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.690 64.1 -6.4 -95.1 -15.9 8.5 15.1 19.5 16 54 A D - 0 0 98 95,-0.1 3,-0.3 97,-0.0 -1,-0.2 -0.963 64.9-110.1-168.0 164.3 11.3 17.5 18.6 17 55 A W S S+ 0 0 140 -2,-0.3 3,-0.1 1,-0.1 5,-0.1 -0.312 79.4 74.6 -83.5 178.4 14.2 18.0 16.2 18 56 A G + 0 0 79 1,-0.7 -1,-0.1 -2,-0.1 2,-0.1 0.123 68.3 105.5 103.9 -23.8 17.9 17.9 17.1 19 57 A G S S- 0 0 56 -3,-0.3 -1,-0.7 2,-0.2 0, 0.0 -0.227 83.0-115.9 -60.8 175.5 18.1 14.2 17.4 20 58 A T S S+ 0 0 151 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.720 88.2 64.0 -93.8 -28.8 19.9 12.9 14.3 21 59 A D - 0 0 115 -4,-0.0 -2,-0.2 0, 0.0 -3,-0.0 -0.655 59.4-157.3-107.1 160.2 17.2 10.9 12.8 22 60 A W - 0 0 45 -2,-0.3 -8,-0.1 -5,-0.1 -5,-0.0 -0.910 23.7-140.8-132.0 103.6 13.9 11.9 11.4 23 61 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 -11,-0.1 -0.194 14.8-142.8 -71.1 162.9 11.4 9.1 11.3 24 62 A S - 0 0 17 84,-0.2 84,-0.3 1,-0.1 3,-0.1 -0.851 22.7-151.9-123.3 155.3 8.9 8.4 8.5 25 63 A A S S+ 0 0 10 82,-3.0 2,-0.3 1,-0.4 83,-0.2 0.665 91.9 2.8 -87.3 -29.0 5.4 7.2 7.9 26 64 A Y E -E 107 0B 38 81,-1.1 81,-2.6 2,-0.0 -1,-0.4 -0.942 67.4-178.1-159.2 136.5 6.2 5.8 4.4 27 65 A E E -E 106 0B 91 -2,-0.3 2,-0.4 79,-0.2 79,-0.2 -0.996 6.1-176.5-140.8 147.2 9.4 5.5 2.3 28 66 A L E -E 105 0B 9 77,-2.5 77,-2.7 -2,-0.4 7,-0.1 -0.972 12.2-161.2-136.2 144.7 10.3 4.2 -1.1 29 67 A Q >> - 0 0 64 -2,-0.4 3,-2.5 75,-0.2 4,-1.3 -0.838 11.5-161.4-122.5 95.5 13.8 4.0 -2.7 30 68 A P T 34 S+ 0 0 31 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.807 86.2 57.6 -53.2 -34.0 13.1 3.7 -6.5 31 69 A P T 34 S+ 0 0 71 0, 0.0 72,-0.1 0, 0.0 3,-0.1 0.742 120.5 29.9 -68.2 -18.4 16.6 2.3 -7.4 32 70 A Y T <4 S+ 0 0 194 -3,-2.5 2,-0.4 71,-0.2 71,-0.0 0.455 114.2 54.8-118.2 -13.9 16.0 -0.6 -5.0 33 71 A Q S < S- 0 0 82 -4,-1.3 -1,-0.2 -3,-0.3 -5,-0.0 -0.993 84.0-111.8-127.4 128.7 12.1 -1.3 -4.8 34 72 A T - 0 0 144 -2,-0.4 -5,-0.1 1,-0.1 -2,-0.0 -0.273 49.5-108.3 -54.4 141.5 9.8 -2.1 -7.8 35 73 A X - 0 0 59 1,-0.1 -1,-0.1 -5,-0.1 3,-0.0 -0.584 18.8-155.1 -87.5 138.6 7.5 0.9 -8.0 36 74 A P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.648 83.8 23.4 -82.2 -15.8 3.8 0.9 -7.0 37 75 A F S S- 0 0 11 -32,-0.0 2,-0.7 87,-0.0 87,-0.0 -0.959 85.9-105.4-143.0 167.1 3.1 3.8 -9.3 38 76 A D > - 0 0 68 -2,-0.3 3,-1.5 1,-0.1 0, 0.0 -0.805 18.5-161.6-103.6 108.4 4.6 5.4 -12.4 39 77 A L T 3 S+ 0 0 18 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.683 86.6 69.5 -58.5 -19.3 6.4 8.7 -11.7 40 78 A N T 3 S+ 0 0 136 2,-0.1 -1,-0.3 59,-0.1 2,-0.1 0.742 85.8 79.5 -79.5 -19.3 6.2 9.6 -15.4 41 79 A K S < S- 0 0 72 -3,-1.5 2,-0.4 1,-0.1 -4,-0.0 -0.364 99.0 -97.2 -75.4 165.1 2.5 10.1 -15.3 42 80 A N + 0 0 72 -2,-0.1 84,-1.4 45,-0.0 85,-1.1 -0.678 64.0 168.1 -78.5 123.5 0.9 13.3 -14.0 43 81 A F E -B 125 0A 0 -2,-0.4 44,-2.5 82,-0.3 2,-0.3 -0.974 35.2-151.1-137.5 163.3 0.1 12.3 -10.5 44 82 A E E -BC 124 86A 39 80,-2.1 80,-2.6 -2,-0.3 2,-0.5 -0.960 14.3-146.9-124.1 146.8 -1.0 13.5 -7.1 45 83 A I E -BC 123 85A 9 40,-2.5 40,-2.8 -2,-0.3 2,-0.5 -0.982 17.0-168.6-111.4 130.8 -0.2 11.9 -3.8 46 84 A K E -BC 122 84A 64 76,-2.8 76,-2.7 -2,-0.5 2,-0.5 -0.957 2.2-168.5-120.9 136.7 -2.9 12.2 -1.1 47 85 A V E -BC 121 83A 0 36,-2.6 36,-2.9 -2,-0.5 2,-0.6 -0.982 15.2-149.0-128.3 124.1 -2.3 11.3 2.5 48 86 A D E +BC 120 82A 51 72,-2.6 71,-2.4 -2,-0.5 72,-1.2 -0.833 44.0 145.7 -88.4 124.2 -5.0 11.0 5.2 49 87 A Y E -B 118 0A 30 32,-2.3 2,-0.3 -2,-0.6 69,-0.2 -0.955 27.4-177.4-152.4 164.4 -3.3 12.0 8.4 50 88 A S E +B 117 0A 76 67,-1.8 67,-2.6 -2,-0.3 31,-0.0 -0.975 55.0 53.0-156.9 165.8 -3.6 13.7 11.8 51 89 A G S S+ 0 0 30 -2,-0.3 63,-0.5 65,-0.2 64,-0.3 0.113 104.6 25.9 104.3 -24.0 -1.6 14.6 14.8 52 90 A A S S- 0 0 13 65,-0.1 60,-0.1 62,-0.1 65,-0.1 -0.973 89.6 -86.7-156.3 162.0 1.3 16.6 13.3 53 91 A D - 0 0 109 58,-0.3 57,-2.8 -2,-0.3 2,-0.4 -0.401 48.8-138.7 -73.0 154.3 2.0 18.6 10.2 54 92 A I E -F 109 0B 3 55,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.886 19.1-173.2-123.2 145.1 3.2 16.6 7.3 55 93 A V E -F 108 0B 3 53,-2.5 53,-2.4 -2,-0.4 2,-0.4 -0.974 16.7-141.3-131.7 158.3 5.8 16.9 4.6 56 94 A L E -FG 107 73B 2 17,-2.3 17,-3.1 -2,-0.3 2,-0.5 -0.944 18.3-157.6-114.8 134.9 6.7 14.9 1.5 57 95 A I E -FG 106 72B 0 49,-3.1 49,-2.5 -2,-0.4 2,-0.5 -0.969 13.5-177.8-114.1 124.2 10.5 14.4 0.6 58 96 A F E +FG 105 71B 3 13,-2.1 13,-2.9 -2,-0.5 2,-0.4 -0.996 25.1 179.7-109.6 126.5 11.9 13.6 -2.9 59 97 A A E -FG 104 70B 0 45,-2.8 44,-1.9 -2,-0.5 45,-1.7 -0.962 28.7-167.5-133.8 150.2 15.6 13.3 -2.6 60 98 A R E - G 0 69B 23 9,-2.1 9,-2.1 -2,-0.4 42,-0.1 -0.998 28.1-130.9-125.8 127.0 18.7 12.5 -4.7 61 99 A W - 0 0 91 -2,-0.4 2,-0.1 7,-0.2 5,-0.1 -0.417 37.5 -88.4 -75.1 153.8 22.0 11.7 -2.9 62 100 A E + 0 0 135 6,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.410 51.5 175.5 -56.3 135.7 25.1 13.5 -3.9 63 101 A H B > -H 66 0C 99 3,-2.0 3,-2.3 -3,-0.1 2,-0.1 -0.920 55.5 -41.7-146.6 121.5 26.8 11.6 -6.7 64 102 A G T 3 S- 0 0 73 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 -0.470 123.5 -21.1 63.0-134.3 29.9 13.0 -8.4 65 103 A S T 3 S+ 0 0 126 -2,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.255 115.1 102.2 -94.9 13.2 29.6 16.7 -9.1 66 104 A K B < S-H 63 0C 129 -3,-2.3 -3,-2.0 -5,-0.1 3,-0.1 -0.831 71.8-128.1-101.6 129.8 25.8 16.6 -8.8 67 105 A P - 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