==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-AUG-09 3ISX . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 15.2 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 . 3 0.9 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 . 1 0.3 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 . 26 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 0 0 2 0 2 0 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 1 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 -3 A H 0 0 143 0, 0.0 319,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 155.4 7.1 25.1 24.4 2 -2 A H + 0 0 126 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.378 360.0 54.2-125.2 0.4 10.4 26.8 25.4 3 -1 A H S S- 0 0 32 0, 0.0 3,-0.1 0, 0.0 320,-0.1 -0.634 77.3-133.2-113.9-180.0 12.4 26.7 22.2 4 0 A H + 0 0 89 -2,-0.2 3,-0.3 1,-0.1 4,-0.3 -0.403 54.3 135.8-132.5 59.4 11.1 28.1 18.9 5 1 A X > + 0 0 9 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.421 34.3 98.8 -94.0 -1.9 12.0 25.2 16.6 6 2 A K H > S+ 0 0 66 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.921 88.0 44.1 -55.4 -49.4 8.9 24.8 14.5 7 3 A E H > S+ 0 0 100 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.873 112.4 52.3 -66.1 -35.1 10.2 26.8 11.5 8 4 A L H > S+ 0 0 10 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.925 112.6 46.0 -63.6 -42.7 13.6 25.1 11.6 9 5 A I H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.915 112.4 50.2 -68.4 -43.8 11.8 21.7 11.6 10 6 A R H X S+ 0 0 68 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.947 113.5 46.4 -57.4 -50.3 9.5 22.7 8.8 11 7 A K H X S+ 0 0 73 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.920 116.4 42.7 -59.9 -46.9 12.5 23.9 6.7 12 8 A L H < S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.912 115.5 46.9 -70.5 -43.1 14.7 20.9 7.3 13 9 A T H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.862 114.6 47.8 -68.1 -36.1 12.1 18.3 6.8 14 10 A E H < S+ 0 0 73 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.667 89.5 107.2 -75.8 -18.3 10.7 19.9 3.6 15 11 A A S < S- 0 0 2 -4,-1.0 2,-0.6 -3,-0.3 10,-0.0 -0.251 78.8-110.5 -62.4 150.1 14.2 20.3 2.1 16 12 A F + 0 0 26 1,-0.1 9,-0.6 86,-0.1 8,-0.5 -0.724 59.1 136.7 -81.2 117.4 15.2 18.1 -0.8 17 13 A G + 0 0 0 -2,-0.6 50,-1.7 51,-0.1 5,-0.2 -0.096 15.4 165.9-160.6 56.2 17.9 15.6 0.2 18 14 A P B > -a 67 0A 0 0, 0.0 3,-2.9 0, 0.0 50,-0.2 -0.363 62.0 -74.0 -64.0 156.0 17.6 12.1 -0.9 19 15 A S T 3 S+ 0 0 31 48,-1.5 -2,-0.0 1,-0.3 180,-0.0 -0.314 126.9 27.1 -52.6 122.7 20.8 10.1 -0.4 20 16 A G T 3 S+ 0 0 49 -3,-0.1 -1,-0.3 26,-0.0 3,-0.1 0.172 120.1 55.8 107.4 -13.3 23.1 11.3 -3.1 21 17 A R < + 0 0 126 -3,-2.9 3,-0.3 1,-0.1 -2,-0.1 -0.365 55.0 136.4-149.5 65.2 21.7 14.8 -3.5 22 18 A E >> + 0 0 11 -5,-0.2 4,-2.2 1,-0.2 3,-0.5 0.204 28.7 119.4-102.3 15.6 21.7 16.6 -0.2 23 19 A E H 3> S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.859 74.8 51.3 -49.3 -46.3 22.9 20.1 -1.4 24 20 A E H 3> S+ 0 0 101 -8,-0.5 4,-2.3 -3,-0.3 -1,-0.2 0.889 109.8 49.8 -63.6 -38.8 19.8 21.9 -0.2 25 21 A V H <> S+ 0 0 0 -9,-0.6 4,-2.5 -3,-0.5 -1,-0.2 0.927 111.1 48.5 -67.7 -43.5 19.9 20.5 3.3 26 22 A R H X S+ 0 0 26 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.916 111.8 50.4 -61.6 -41.9 23.6 21.3 3.7 27 23 A S H X S+ 0 0 67 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.906 110.5 48.4 -62.1 -43.9 23.0 24.8 2.5 28 24 A I H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.908 110.5 51.7 -62.2 -43.5 20.1 25.3 4.9 29 25 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.942 111.0 47.7 -59.4 -48.0 22.1 24.0 7.8 30 26 A L H X S+ 0 0 40 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.895 111.2 50.7 -61.9 -38.5 25.0 26.4 7.1 31 27 A E H >< S+ 0 0 138 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.939 111.4 47.7 -64.2 -44.3 22.6 29.3 6.8 32 28 A E H 3< S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.846 114.7 47.6 -63.6 -31.8 20.9 28.5 10.1 33 29 A L H >X S+ 0 0 0 -4,-2.0 3,-2.8 -5,-0.2 4,-0.7 0.481 77.4 130.2 -91.9 -0.3 24.4 28.2 11.7 34 30 A E T << S+ 0 0 100 -3,-1.0 -3,-0.1 -4,-0.7 -4,-0.0 -0.295 83.0 12.3 -57.3 125.5 25.8 31.4 10.3 35 31 A G T 34 S+ 0 0 74 2,-0.3 -1,-0.3 -2,-0.0 -2,-0.1 0.347 118.1 75.9 87.3 -4.5 27.4 33.3 13.2 36 32 A H T <4 S+ 0 0 57 -3,-2.8 2,-0.3 16,-0.0 -2,-0.2 0.393 86.6 61.3-114.5 -6.5 27.1 30.2 15.5 37 33 A I < - 0 0 29 -4,-0.7 -2,-0.3 -7,-0.1 15,-0.2 -0.913 62.6-149.8-122.3 150.6 30.0 28.1 14.1 38 34 A D S S- 0 0 114 13,-3.1 2,-0.3 -2,-0.3 14,-0.2 0.510 77.0 -28.3 -91.0 -12.9 33.8 28.9 14.0 39 35 A G E -B 51 0B 18 12,-0.9 12,-1.6 2,-0.0 2,-0.3 -0.969 55.3-156.5 176.9 171.5 34.3 26.9 10.9 40 36 A H E -B 50 0B 95 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.976 2.5-169.1-159.1 166.1 33.3 24.0 8.7 41 37 A R E -B 49 0B 95 8,-2.3 8,-3.1 -2,-0.3 2,-0.4 -0.959 17.6-137.9-153.2 158.7 34.3 21.5 6.1 42 38 A I E -B 48 0B 92 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.998 25.4-142.2-120.0 124.4 32.8 19.0 3.8 43 39 A D > - 0 0 30 4,-2.3 3,-1.5 -2,-0.4 171,-0.0 -0.162 32.3 -93.5 -81.7 175.0 34.6 15.6 3.4 44 40 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.641 125.8 53.4 -67.3 -14.3 35.0 13.6 0.2 45 41 A L T 3 S- 0 0 95 2,-0.1 -1,-0.3 154,-0.0 163,-0.0 0.457 122.8-102.5 -93.2 -5.5 31.9 11.5 1.1 46 42 A G < + 0 0 12 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.563 68.9 150.0 93.2 9.8 29.7 14.7 1.6 47 43 A N - 0 0 3 151,-0.1 -4,-2.3 152,-0.1 2,-0.6 -0.618 38.9-142.9 -74.8 129.1 29.7 14.7 5.4 48 44 A L E -BC 42 197B 0 149,-2.4 149,-3.0 -2,-0.3 2,-0.4 -0.887 18.2-170.2 -96.6 125.3 29.3 18.3 6.6 49 45 A I E +BC 41 196B 0 -8,-3.1 -8,-2.3 -2,-0.6 2,-0.3 -0.967 7.7 174.2-122.0 126.1 31.4 19.0 9.8 50 46 A V E -BC 40 195B 0 145,-2.6 145,-2.2 -2,-0.4 2,-0.3 -0.872 8.3-163.1-124.6 161.9 31.0 22.2 11.8 51 47 A W E +BC 39 194B 71 -12,-1.6 -13,-3.1 -2,-0.3 -12,-0.9 -0.996 13.6 175.2-149.0 155.4 32.6 23.3 15.1 52 48 A K E + C 0 193B 34 141,-2.0 141,-2.8 -2,-0.3 139,-0.1 -0.971 47.1 35.2-151.7 147.4 32.3 25.7 17.9 53 49 A G - 0 0 25 -2,-0.3 139,-0.2 139,-0.2 137,-0.1 -0.153 56.6-124.7 99.2 170.6 34.2 26.1 21.2 54 50 A S + 0 0 117 135,-0.4 138,-0.3 137,-0.3 -1,-0.1 0.219 53.3 137.8-141.2 11.5 37.7 25.6 22.5 55 51 A G - 0 0 18 136,-0.8 137,-0.3 134,-0.1 136,-0.2 -0.111 62.5-112.3 -65.9 161.2 37.3 23.3 25.5 56 52 A E S S+ 0 0 122 134,-0.3 2,-0.2 135,-0.1 135,-0.1 0.918 97.2 70.0 -62.7 -44.0 39.7 20.4 26.1 57 53 A K S S- 0 0 67 133,-0.3 135,-2.9 160,-0.1 2,-0.5 -0.560 73.9-146.8 -80.6 135.9 37.2 17.6 25.5 58 54 A K E -d 192 0B 65 -2,-0.2 160,-2.7 133,-0.2 161,-1.4 -0.924 18.4-176.0-106.5 124.7 36.1 17.1 21.9 59 55 A V E -de 193 219B 0 133,-2.4 135,-3.1 -2,-0.5 2,-0.4 -0.986 12.1-153.6-128.6 126.6 32.6 15.9 21.3 60 56 A I E -de 194 220B 1 159,-2.6 161,-3.0 -2,-0.4 2,-0.4 -0.837 3.3-166.2 -94.3 136.3 30.8 15.0 18.1 61 57 A L E -de 195 221B 0 133,-2.8 135,-3.2 -2,-0.4 2,-0.4 -0.997 18.4-167.9-113.3 127.9 27.0 15.2 17.7 62 58 A D E +de 196 222B 18 159,-2.3 161,-2.8 -2,-0.4 2,-0.3 -0.968 15.7 166.5-128.5 118.3 26.1 13.3 14.4 63 59 A A E -d 197 0B 0 133,-2.4 135,-2.2 -2,-0.4 2,-0.3 -0.969 36.9-113.5-126.1 144.6 22.7 13.3 12.6 64 60 A H E -d 198 0B 36 159,-0.4 113,-0.3 -2,-0.3 135,-0.2 -0.612 19.0-166.5 -76.7 137.7 22.1 12.0 9.1 65 61 A I + 0 0 0 133,-2.9 134,-0.2 -2,-0.3 -1,-0.1 0.618 60.0 89.6 -97.4 -16.9 21.1 14.5 6.4 66 62 A D - 0 0 5 132,-0.7 2,-0.3 107,-0.1 -2,-0.1 -0.412 57.9-158.7 -85.6 153.9 19.9 12.1 3.7 67 63 A E B -a 18 0A 5 -50,-1.7 -48,-1.5 -2,-0.1 106,-0.1 -0.861 26.6 -93.2-122.8 162.4 16.3 10.9 3.4 68 64 A I + 0 0 23 104,-0.3 87,-0.3 -2,-0.3 2,-0.3 -0.298 60.8 125.9 -70.1 160.2 14.7 7.9 1.8 69 65 A G E -I 86 0C 4 17,-2.1 17,-2.7 85,-0.2 2,-0.3 -0.907 49.5 -76.4-179.9-152.8 13.4 8.3 -1.8 70 66 A V E -IJ 85 153C 0 83,-2.4 83,-2.5 -2,-0.3 2,-0.4 -0.939 22.6-149.1-137.0 156.3 13.5 6.8 -5.2 71 67 A V E -IJ 84 152C 27 13,-2.3 13,-2.1 -2,-0.3 2,-0.4 -0.993 24.3-120.3-128.8 138.4 15.9 6.8 -8.2 72 68 A V E +I 83 0C 1 79,-2.6 78,-2.8 -2,-0.4 11,-0.3 -0.640 34.8 167.2 -78.9 123.6 14.9 6.7 -11.8 73 69 A T E + 0 0 45 9,-2.8 2,-0.3 -2,-0.4 10,-0.2 0.514 61.4 14.7-114.0 -11.2 16.4 3.6 -13.5 74 70 A N E -I 82 0C 72 8,-1.2 8,-2.6 74,-0.1 2,-0.4 -0.985 51.5-153.8-159.8 152.3 14.4 3.5 -16.9 75 71 A V E -I 81 0C 2 -2,-0.3 6,-0.2 6,-0.2 65,-0.1 -0.999 24.1-147.1-128.9 128.5 12.2 5.5 -19.1 76 72 A D > - 0 0 55 4,-2.6 3,-1.8 -2,-0.4 67,-0.1 -0.280 31.8 -93.7 -93.7 175.9 9.8 3.7 -21.4 77 73 A D T 3 S+ 0 0 110 1,-0.3 63,-1.0 2,-0.1 64,-0.2 0.714 124.8 48.4 -64.5 -21.2 8.5 4.5 -24.8 78 74 A K T 3 S- 0 0 92 61,-0.3 -1,-0.3 2,-0.1 61,-0.1 0.274 123.5 -99.5-100.7 9.3 5.4 6.2 -23.4 79 75 A G S < S+ 0 0 2 -3,-1.8 56,-0.5 1,-0.3 58,-0.3 0.520 73.1 143.0 91.5 2.4 7.3 8.3 -20.9 80 76 A F - 0 0 63 54,-0.1 -4,-2.6 58,-0.1 2,-0.4 -0.593 42.1-133.3 -83.5 142.6 6.7 6.2 -17.7 81 77 A L E -IK 75 133C 0 52,-2.7 52,-2.2 -2,-0.3 2,-0.4 -0.750 5.7-148.3 -98.7 136.1 9.6 5.9 -15.2 82 78 A T E -I 74 0C 48 -8,-2.6 -9,-2.8 -2,-0.4 -8,-1.2 -0.832 25.9-166.6 -96.2 145.1 10.9 2.8 -13.5 83 79 A I E -I 72 0C 2 45,-0.4 -11,-0.2 -2,-0.4 48,-0.2 -0.903 19.5-158.7-133.0 155.3 12.3 3.3 -10.1 84 80 A E E -I 71 0C 113 -13,-2.1 -13,-2.3 -2,-0.3 2,-0.1 -0.939 37.4 -95.3-124.2 159.1 14.4 1.7 -7.4 85 81 A P E -I 70 0C 58 0, 0.0 2,-0.5 0, 0.0 -15,-0.3 -0.375 21.6-154.0 -75.5 144.0 14.4 2.5 -3.7 86 82 A V E S-I 69 0C 15 -17,-2.7 -17,-2.1 67,-0.1 3,-0.1 -0.983 71.8 -20.3-111.9 118.5 16.8 4.9 -2.0 87 83 A G S S- 0 0 51 -2,-0.5 2,-1.8 -19,-0.2 -19,-0.0 -0.275 121.1 -26.0 76.7-165.0 17.1 3.9 1.6 88 84 A G S S+ 0 0 50 -3,-0.1 2,-0.7 2,-0.0 -1,-0.2 -0.262 81.7 151.4 -81.2 56.4 14.5 1.8 3.5 89 85 A V - 0 0 9 -2,-1.8 223,-0.1 -20,-0.2 222,-0.1 -0.757 36.0-145.0 -96.6 120.1 11.4 2.7 1.4 90 86 A S >> - 0 0 46 -2,-0.7 3,-1.0 221,-0.3 4,-0.6 -0.539 15.0-133.0 -75.2 139.7 8.7 0.1 1.2 91 87 A P H >> S+ 0 0 19 0, 0.0 4,-1.3 0, 0.0 3,-1.1 0.847 106.7 65.0 -62.3 -27.0 6.8 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98 A E T 3 S+ 0 0 64 50,-1.2 -86,-0.1 1,-0.3 51,-0.1 0.892 123.0 49.7 -56.1 -41.3 15.1 17.6 -7.8 103 99 A N T 3 S- 0 0 105 43,-0.2 -1,-0.3 1,-0.1 44,-0.0 0.336 124.8 -99.5 -83.0 8.1 14.1 20.0 -10.5 104 100 A G S < S+ 0 0 46 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.202 73.9 147.0 93.2 -9.8 10.6 20.4 -9.0 105 101 A T - 0 0 24 41,-0.2 -4,-2.9 -5,-0.1 2,-0.4 -0.259 37.8-145.4 -56.1 137.2 8.9 17.9 -11.4 106 102 A I E -L 100 0C 72 -6,-0.2 2,-0.3 29,-0.2 -6,-0.2 -0.900 18.4-175.8-107.5 137.5 5.9 16.0 -9.7 107 103 A G E -L 99 0C 0 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.4 -0.929 19.8-133.2-129.5 158.9 5.1 12.4 -10.5 108 104 A V E -LN 98 134C 70 26,-2.5 26,-2.6 -2,-0.3 2,-0.6 -0.928 20.2-131.9-111.5 129.4 2.4 9.9 -9.5 109 105 A V E + N 0 133C 3 -12,-2.5 -13,-1.6 -2,-0.4 2,-0.2 -0.755 31.1 176.2 -82.5 126.5 3.3 6.4 -8.5 110 106 A G E - N 0 132C 18 22,-2.5 22,-2.1 -2,-0.6 2,-0.4 -0.741 21.1-133.8-118.1 169.6 1.2 3.7 -10.1 111 107 A X E - N 0 131C 11 -2,-0.2 20,-0.2 20,-0.2 8,-0.0 -0.969 21.8-116.7-124.9 140.9 1.2 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