==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-APR-12 2LRO . COMPND 2 MOLECULE: ENDOGLUCANASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR A.VIEGAS,E.J.CABRITA . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 53.5 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 . 63 36.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 14 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.3 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+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 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 1 2 1 2 1 2 1 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 2 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 1 A M 0 0 219 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.5 11.9 -20.3 -3.0 2 2 A A - 0 0 77 3,-0.1 2,-2.2 2,-0.1 0, 0.0 -0.968 360.0-117.6-118.7 138.7 14.8 -19.7 -5.5 3 3 A S S S+ 0 0 138 -2,-0.4 2,-0.2 3,-0.0 3,-0.1 -0.414 79.1 89.7 -78.3 67.2 18.4 -19.4 -4.4 4 4 A A S S- 0 0 82 -2,-2.2 -2,-0.1 1,-0.2 0, 0.0 -0.726 76.9 -14.2-142.4-172.5 19.0 -15.7 -5.4 5 5 A V - 0 0 100 -2,-0.2 -1,-0.2 1,-0.1 -3,-0.1 0.082 67.9-106.6 -32.3 138.4 18.8 -12.0 -4.4 6 6 A G S S+ 0 0 43 163,-0.5 2,-0.2 -3,-0.1 -1,-0.1 0.342 76.5 131.5 -61.6 5.8 16.8 -11.2 -1.2 7 7 A E - 0 0 103 161,-0.1 2,-0.5 159,-0.0 161,-0.2 -0.430 39.6-165.7 -57.4 128.2 13.9 -9.7 -3.4 8 8 A K E -A 167 0A 79 159,-1.9 159,-2.9 -2,-0.2 2,-0.1 -0.947 10.7-142.3-125.1 108.8 10.5 -11.1 -2.2 9 9 A M E +A 166 0A 121 -2,-0.5 157,-0.3 157,-0.3 3,-0.1 -0.408 18.6 179.1 -64.7 142.8 7.4 -10.7 -4.5 10 10 A L E - 0 0 23 155,-2.8 2,-0.3 1,-0.4 156,-0.2 0.744 68.8 -10.2-106.8 -57.9 4.1 -10.0 -2.7 11 11 A D E +A 165 0A 16 154,-1.9 154,-1.8 1,-0.1 -1,-0.4 -0.983 45.3 168.9-145.8 150.6 1.7 -9.7 -5.7 12 12 A D - 0 0 37 -2,-0.3 28,-0.2 152,-0.2 26,-0.2 0.254 50.4-120.7-143.0 5.5 2.1 -9.4 -9.6 13 13 A F S S+ 0 0 2 3,-0.1 28,-0.2 1,-0.1 21,-0.1 0.547 70.6 130.9 61.7 18.5 -1.6 -9.9 -10.7 14 14 A E S S+ 0 0 99 26,-0.2 2,-0.1 2,-0.1 -1,-0.1 0.688 70.7 40.0 -74.6 -16.8 -1.0 -13.0 -12.9 15 15 A G S S- 0 0 53 1,-0.2 3,-0.1 25,-0.1 -3,-0.0 -0.392 111.0 -44.9-112.6-165.8 -3.9 -14.9 -11.1 16 16 A V S S- 0 0 137 -2,-0.1 -1,-0.2 1,-0.1 -3,-0.1 -0.237 74.2 -84.6 -66.0 148.0 -7.5 -14.0 -9.9 17 17 A L + 0 0 57 1,-0.1 -1,-0.1 -3,-0.1 25,-0.0 -0.221 43.4 176.4 -61.4 145.4 -8.0 -10.7 -7.9 18 18 A N + 0 0 80 -3,-0.1 41,-0.4 2,-0.0 2,-0.3 -0.104 40.7 105.8-144.9 28.7 -7.3 -10.9 -4.1 19 19 A W - 0 0 20 39,-0.1 2,-0.9 37,-0.0 39,-0.2 -0.912 64.5-126.0-122.6 148.8 -7.7 -7.3 -2.8 20 20 A G - 0 0 35 37,-2.5 37,-0.3 -2,-0.3 2,-0.2 -0.752 29.8-172.2-105.3 88.3 -10.6 -5.8 -0.8 21 21 A S + 0 0 43 -2,-0.9 2,-0.3 35,-0.3 35,-0.3 -0.481 10.5 162.5 -83.0 147.6 -12.0 -2.6 -2.4 22 22 A Y E +F 55 0B 84 33,-2.0 33,-2.4 -2,-0.2 2,-0.3 -0.991 12.6 166.7-159.8 159.5 -14.6 -0.3 -0.9 23 23 A S E +F 54 0B 36 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.943 12.1 166.8-158.9 171.6 -16.3 3.2 -1.0 24 24 A G E > +F 53 0B 15 29,-1.6 3,-1.7 -2,-0.3 29,-1.2 -0.985 41.9 50.6-178.2 175.5 -19.3 5.0 0.5 25 25 A E T 3 S- 0 0 165 -2,-0.3 26,-0.2 1,-0.3 3,-0.1 0.869 129.9 -33.0 52.5 49.7 -21.4 8.1 1.3 26 26 A G T 3 S+ 0 0 66 1,-0.4 -1,-0.3 26,-0.1 2,-0.2 0.093 120.9 104.2 91.7 -15.6 -21.4 9.6 -2.2 27 27 A A < - 0 0 7 -3,-1.7 -1,-0.4 26,-0.1 2,-0.3 -0.663 54.5-164.0 -88.5 151.2 -17.9 8.4 -3.1 28 28 A K E -B 47 0A 138 19,-2.3 19,-2.6 -2,-0.2 2,-0.3 -0.964 13.3-161.9-140.8 151.3 -17.5 5.3 -5.4 29 29 A V E -B 46 0A 29 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.934 5.3-176.8-125.7 154.4 -15.1 2.6 -6.6 30 30 A S E +B 45 0A 75 15,-2.0 15,-2.3 -2,-0.3 2,-0.3 -0.962 15.8 179.5-143.5 144.4 -14.8 0.2 -9.6 31 31 A T E +B 44 0A 49 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.987 9.1 149.3-151.1 134.7 -11.9 -2.4 -9.9 32 32 A K E -B 43 0A 109 11,-2.2 11,-2.8 -2,-0.3 2,-0.2 -0.987 43.6 -89.9-156.8 166.9 -10.6 -5.2 -12.3 33 33 A I E +B 42 0A 52 -2,-0.3 9,-0.3 9,-0.2 2,-0.2 -0.532 47.7 165.3 -74.6 144.5 -7.6 -7.2 -13.7 34 34 A V E -B 41 0A 26 7,-2.5 7,-2.7 -2,-0.2 2,-0.4 -0.755 47.6 -67.8-138.4 179.4 -5.8 -5.8 -16.8 35 35 A S E -B 40 0A 104 5,-0.3 5,-0.3 -2,-0.2 2,-0.1 -0.731 62.5-171.6 -71.5 129.3 -2.6 -6.2 -18.8 36 36 A G - 0 0 20 3,-1.3 5,-0.2 -2,-0.4 3,-0.2 -0.361 43.9 -73.8-111.4-168.3 0.2 -4.7 -16.6 37 37 A K S S+ 0 0 87 1,-0.2 2,-0.4 -2,-0.1 4,-0.1 0.773 130.2 27.2 -62.3 -24.7 4.0 -3.7 -16.8 38 38 A T S S- 0 0 59 2,-0.4 2,-0.3 -26,-0.2 -1,-0.2 -0.971 133.0 -55.5-135.9 118.3 4.6 -7.5 -16.7 39 39 A G S S+ 0 0 56 -2,-0.4 -3,-1.3 -3,-0.2 2,-0.2 -0.265 119.4 11.3 55.7-107.3 1.9 -10.0 -18.1 40 40 A N E +B 35 0A 57 -5,-0.3 -2,-0.4 -2,-0.3 -5,-0.3 -0.671 66.5 175.5 -99.3 161.8 -1.2 -8.9 -16.0 41 41 A G E -B 34 0A 0 -7,-2.7 -7,-2.5 -2,-0.2 2,-0.4 -0.795 29.3-106.4-142.3 178.9 -1.8 -5.9 -13.7 42 42 A M E -BC 33 162A 2 120,-2.1 120,-2.2 -9,-0.3 2,-0.4 -0.970 24.3-160.9-120.5 139.6 -4.7 -4.4 -11.7 43 43 A E E -BC 32 161A 33 -11,-2.8 -11,-2.2 -2,-0.4 2,-0.3 -0.983 6.5-168.6-120.6 130.7 -6.7 -1.3 -12.6 44 44 A V E -BC 31 160A 2 116,-2.5 116,-1.9 -2,-0.4 2,-0.4 -0.794 5.6-159.6-118.8 153.9 -8.8 0.8 -10.1 45 45 A S E -BC 30 159A 25 -15,-2.3 -15,-2.0 -2,-0.3 2,-0.3 -1.000 12.4-170.7-137.5 129.9 -11.3 3.6 -10.7 46 46 A Y E -BC 29 158A 6 112,-2.8 112,-2.2 -2,-0.4 2,-0.4 -0.969 16.8-168.2-134.7 144.4 -12.5 6.2 -8.1 47 47 A T E -B 28 0A 68 -19,-2.6 -19,-2.3 -2,-0.3 110,-0.2 -0.998 24.0-158.3-129.1 124.1 -15.1 9.0 -7.7 48 48 A G - 0 0 18 -2,-0.4 2,-0.3 -21,-0.2 107,-0.1 -0.489 18.3-176.0-102.2 166.5 -14.8 11.4 -4.7 49 49 A T - 0 0 55 105,-0.2 3,-0.2 -2,-0.2 107,-0.1 -0.936 44.6 -99.8-150.9 162.2 -16.8 13.8 -2.5 50 50 A T S S+ 0 0 118 -2,-0.3 106,-0.1 1,-0.2 105,-0.0 0.735 119.8 19.2 -57.7 -28.1 -15.6 16.2 0.3 51 51 A D S S+ 0 0 152 -26,-0.2 -1,-0.2 104,-0.1 -25,-0.1 0.462 107.7 93.9-122.6 -6.9 -16.7 13.9 3.3 52 52 A G - 0 0 2 -3,-0.2 2,-0.3 103,-0.1 -27,-0.2 0.032 59.5-140.7 -75.7-173.5 -16.9 10.5 1.5 53 53 A Y E -F 24 0B 97 -29,-1.2 -29,-1.6 -6,-0.1 2,-0.3 -0.995 16.7-176.2-152.5 152.0 -14.2 7.7 1.2 54 54 A W E +F 23 0B 9 -2,-0.3 98,-2.3 -31,-0.2 2,-0.3 -0.985 21.2 131.1-150.5 152.7 -12.6 5.1 -1.1 55 55 A G E -FG 22 151B 0 -33,-2.4 -33,-2.0 -2,-0.3 2,-0.3 -0.958 33.5-132.8-172.3-177.9 -9.9 2.4 -0.8 56 56 A T E - G 0 150B 1 94,-2.0 94,-2.9 -35,-0.3 2,-0.4 -0.944 20.4-141.9-161.4 150.9 -8.7 -1.2 -1.3 57 57 A V E - G 0 149B 21 -37,-0.3 -37,-2.5 -2,-0.3 2,-0.4 -0.944 7.4-159.9-132.6 137.2 -6.9 -3.8 1.1 58 58 A Y E - G 0 148B 17 90,-2.4 90,-1.8 -2,-0.4 2,-0.6 -0.935 11.0-149.9-115.5 136.3 -4.2 -6.6 1.0 59 59 A S - 0 0 91 -41,-0.4 88,-0.1 -2,-0.4 -2,-0.0 -0.898 19.2-142.1-108.2 111.4 -3.8 -9.4 3.6 60 60 A L - 0 0 31 -2,-0.6 3,-0.1 86,-0.2 -50,-0.0 -0.528 14.4-156.7 -75.3 133.5 -0.2 -10.6 4.0 61 61 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.778 91.4 29.2 -66.2 -33.7 0.8 -14.3 4.6 62 62 A D + 0 0 61 1,-0.0 0, 0.0 3,-0.0 0, 0.0 -0.997 61.7 178.7-141.7 132.1 4.1 -13.0 6.2 63 63 A G + 0 0 18 -2,-0.3 82,-1.9 80,-0.2 2,-0.4 -0.004 50.5 91.2-135.2 22.4 4.6 -9.7 8.1 64 64 A D + 0 0 98 80,-0.2 79,-0.2 2,-0.0 78,-0.1 -0.998 31.8 144.7-113.4 126.0 8.2 -9.4 9.4 65 65 A W + 0 0 12 77,-2.1 4,-0.3 -2,-0.4 78,-0.2 -0.224 28.4 134.1-151.9 47.5 10.7 -7.7 7.0 66 66 A S > + 0 0 46 76,-0.7 2,-1.9 1,-0.1 3,-0.8 0.069 39.8 56.9 -83.8-162.9 13.1 -5.7 9.3 67 67 A K T 3 S- 0 0 175 1,-0.2 -1,-0.1 2,-0.0 -2,-0.0 -0.293 127.9 -15.7 67.3 -50.7 17.0 -5.3 9.3 68 68 A W T 3 S+ 0 0 177 -2,-1.9 -1,-0.2 -3,-0.1 102,-0.1 0.483 91.2 126.0-158.4 -12.7 17.4 -4.0 5.7 69 69 A L < - 0 0 27 -3,-0.8 2,-0.3 -4,-0.3 100,-0.2 -0.288 29.8-171.8 -65.8 148.9 14.3 -4.5 3.3 70 70 A K E -D 168 0A 87 98,-2.5 98,-2.5 50,-0.1 2,-0.3 -0.808 23.6-116.4-116.1 167.4 12.5 -1.7 1.3 71 71 A I E -DE 167 118A 16 47,-2.5 47,-1.8 -2,-0.3 2,-0.3 -0.757 26.7-172.4 -97.6 156.1 9.3 -1.9 -0.7 72 72 A S E +DE 166 117A 2 94,-2.7 94,-2.8 -2,-0.3 2,-0.3 -0.975 8.8 166.0-143.3 134.5 8.9 -1.5 -4.5 73 73 A F E - E 0 116A 5 43,-1.9 43,-2.2 -2,-0.3 2,-0.4 -0.979 29.3-129.9-135.7 157.4 5.8 -1.3 -6.8 74 74 A D E +DE 163 115A 5 89,-2.6 89,-2.2 -2,-0.3 2,-0.3 -0.908 32.2 176.2-103.5 134.8 5.2 -0.1 -10.4 75 75 A I E +DE 162 114A 7 39,-2.2 39,-2.4 -2,-0.4 2,-0.3 -0.972 12.3 179.9-137.3 149.1 2.4 2.4 -11.0 76 76 A K E -D 161 0A 56 85,-2.1 85,-2.8 -2,-0.3 2,-0.4 -0.986 27.2-120.2-148.9 145.7 0.9 4.4 -14.0 77 77 A S E -D 160 0A 7 33,-2.9 83,-0.3 -2,-0.3 5,-0.0 -0.719 17.0-174.6 -89.1 130.3 -2.1 6.9 -14.3 78 78 A V S S+ 0 0 49 81,-2.0 82,-0.2 -2,-0.4 -1,-0.1 0.206 90.6 52.1-111.2 11.6 -5.0 6.0 -16.7 79 79 A D S S- 0 0 88 80,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.316 107.5-126.9-102.4 -8.4 -6.7 9.4 -16.2 80 80 A G S S+ 0 0 41 1,-0.3 31,-0.2 79,-0.3 -3,-0.1 -0.019 72.9 124.4 74.8 -23.5 -3.3 11.1 -17.1 81 81 A S - 0 0 43 1,-0.1 2,-0.5 29,-0.1 -1,-0.3 -0.092 69.5-130.9 -61.9 155.3 -3.8 13.0 -13.8 82 82 A A - 0 0 68 -3,-0.1 -1,-0.1 26,-0.1 28,-0.1 -0.558 39.4-175.0-104.0 57.8 -1.4 13.1 -10.8 83 83 A N - 0 0 23 -2,-0.5 2,-0.5 76,-0.1 24,-0.1 -0.341 24.5-120.2 -62.4 135.9 -4.1 12.2 -8.2 84 84 A E + 0 0 99 24,-0.1 69,-1.2 -2,-0.1 2,-0.3 -0.691 41.7 163.8 -86.1 121.8 -3.0 12.3 -4.5 85 85 A I E -HI 107 152B 10 22,-2.3 22,-2.7 -2,-0.5 2,-0.3 -0.807 20.5-144.3-125.0 165.7 -3.4 8.9 -2.7 86 86 A R E -HI 106 151B 52 65,-2.6 65,-2.6 20,-0.3 2,-0.3 -0.985 6.3-138.4-134.0 148.9 -2.0 7.5 0.6 87 87 A F E -HI 105 150B 18 18,-2.8 18,-1.8 -2,-0.3 2,-0.4 -0.793 17.0-163.7 -88.7 147.1 -0.9 4.1 2.0 88 88 A M E -HI 104 149B 12 61,-2.5 61,-2.8 -2,-0.3 2,-0.4 -0.999 0.6-162.1-128.8 135.9 -1.9 3.1 5.5 89 89 A I E -HI 103 148B 9 14,-2.7 14,-2.3 -2,-0.4 2,-0.5 -0.959 6.9-150.8-114.4 130.1 -0.1 0.3 7.4 90 90 A A E -HI 102 147B 5 57,-2.5 56,-3.1 -2,-0.4 57,-1.1 -0.890 11.4-149.1 -99.9 130.1 -1.7 -1.4 10.4 91 91 A E E - I 0 145B 4 10,-2.5 9,-2.9 -2,-0.5 10,-0.5 -0.593 29.9 -90.0 -90.6 158.0 0.7 -2.9 13.1 92 92 A K - 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