==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUL-03 1OJJ . COMPND 2 MOLECULE: ENDOGLUCANASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR V.M.-A.DUCROS,C.A.TARLING,D.L.ZECHEL,A.M.BRZOZOWSKI, . 796 2 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 211 26.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 . 63 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 2 2 2 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 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 0 0 PARALLEL BRIDGES PER LADDER . 10 5 8 4 6 4 2 4 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 . 4 2 2 0 0 0 0 0 0 0 0 0 0 0 1 1 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 X 0 0 1 0, 0.0 162,-0.4 0, 0.0 73,-0.2 0.000 360.0 360.0 360.0 153.2 -2.7 13.1 6.6 2 2 A K E -a 74 0A 111 71,-2.7 73,-2.8 67,-0.3 159,-0.1 -0.565 360.0-111.7 -75.6 125.5 -3.2 16.4 4.9 3 3 A P E -a 75 0A 34 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.305 34.4-141.0 -55.5 137.3 -0.0 18.5 4.3 4 4 A G - 0 0 19 71,-2.5 72,-0.0 2,-0.1 71,-0.0 -0.069 26.1 -93.9 -86.8-172.5 0.2 21.7 6.3 5 5 A E S S+ 0 0 182 2,-0.1 2,-0.2 72,-0.1 71,-0.1 0.620 89.8 102.0 -77.1 -20.6 1.5 25.1 5.5 6 6 A T S S- 0 0 59 1,-0.1 71,-1.0 71,-0.1 -2,-0.1 -0.521 77.5-113.3 -74.0 137.0 5.0 24.7 6.8 7 7 A K - 0 0 159 -2,-0.2 2,-0.6 70,-0.1 -1,-0.1 -0.379 15.7-134.9 -70.6 143.3 7.6 24.1 4.1 8 8 A E - 0 0 7 69,-0.3 2,-0.7 71,-0.1 69,-0.1 -0.885 19.8-171.2 -93.0 117.2 9.4 20.8 3.7 9 9 A V - 0 0 78 69,-2.8 72,-0.4 -2,-0.6 -2,-0.0 -0.864 11.3-157.5-115.1 94.5 13.2 21.4 3.2 10 10 A H - 0 0 10 -2,-0.7 22,-0.1 1,-0.1 2,-0.1 -0.520 18.5-117.6 -75.2 132.7 14.8 18.1 2.3 11 11 A P - 0 0 17 0, 0.0 20,-2.1 0, 0.0 2,-0.3 -0.458 29.6-128.5 -60.9 139.2 18.5 17.7 2.9 12 12 A Q E -C 30 0B 101 18,-0.2 2,-0.4 -2,-0.1 18,-0.3 -0.722 25.3-171.7 -89.7 143.2 20.3 17.0 -0.3 13 13 A L E -C 29 0B 1 16,-2.7 16,-2.1 -2,-0.3 2,-0.5 -0.987 16.5-142.4-138.3 124.8 22.7 14.0 -0.5 14 14 A T E +C 28 0B 32 76,-2.3 375,-0.3 -2,-0.4 374,-0.3 -0.750 29.2 169.8 -84.4 129.4 25.1 13.1 -3.3 15 15 A T E -C 27 0B 0 12,-2.4 12,-2.5 -2,-0.5 2,-0.3 -0.625 22.7-120.1-124.4-175.6 25.3 9.4 -4.0 16 16 A F E -Cd 26 390B 37 373,-2.0 375,-1.7 10,-0.2 2,-0.4 -0.958 7.4-152.1-137.6 150.9 26.9 7.4 -6.9 17 17 A R E -Cd 25 391B 70 8,-2.2 8,-2.6 -2,-0.3 2,-0.4 -0.989 30.2-156.4-117.7 129.8 26.1 5.0 -9.7 18 18 A a E +Cd 24 392B 4 373,-2.4 375,-2.1 -2,-0.4 2,-0.3 -0.871 21.8 168.0-122.1 140.8 29.0 2.8 -10.6 19 19 A T E > -C 23 0B 52 4,-1.8 4,-1.7 -2,-0.4 376,-0.0 -0.947 42.4-118.5-135.3 161.1 30.2 0.7 -13.6 20 20 A K T 4 S+ 0 0 162 -2,-0.3 -1,-0.1 2,-0.2 4,-0.1 0.935 114.6 44.2 -60.9 -43.2 33.5 -1.0 -14.3 21 21 A R T 4 S+ 0 0 247 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.879 126.7 26.7 -72.4 -41.7 34.1 1.2 -17.4 22 22 A G T 4 S- 0 0 34 1,-0.3 -1,-0.2 3,-0.0 -2,-0.2 0.478 93.9-142.3-105.5 -3.7 33.1 4.6 -15.9 23 23 A G E < -C 19 0B 31 -4,-1.7 -4,-1.8 2,-0.1 2,-0.5 -0.335 56.1 -27.4 70.2-159.1 33.8 4.2 -12.2 24 24 A a E -C 18 0B 47 -6,-0.3 -6,-0.2 -4,-0.1 368,-0.1 -0.818 65.0-165.1 -93.3 126.8 31.4 5.8 -9.7 25 25 A K E -C 17 0B 131 -8,-2.6 -8,-2.2 -2,-0.5 -2,-0.1 -0.927 22.7-109.7-117.5 134.6 29.6 8.9 -11.0 26 26 A P E -C 16 0B 96 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.251 32.6-176.6 -70.4 151.5 27.8 11.3 -8.8 27 27 A A E -C 15 0B 26 -12,-2.5 -12,-2.4 -14,-0.0 2,-0.5 -0.987 25.8-117.6-144.3 146.3 24.0 11.7 -8.6 28 28 A T E +C 14 0B 63 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.786 39.2 163.4 -90.6 126.6 21.7 14.1 -6.7 29 29 A N E -C 13 0B 0 -16,-2.1 -16,-2.7 -2,-0.5 2,-0.3 -0.822 23.4-138.1-129.0 171.7 19.3 12.6 -4.2 30 30 A F E -CE 12 112B 20 82,-1.8 82,-2.9 -2,-0.3 2,-0.4 -0.871 11.1-130.7-129.7 160.9 17.2 14.0 -1.3 31 31 A I E - E 0 111B 0 -20,-2.1 2,-0.4 -2,-0.3 80,-0.2 -0.952 20.0-172.6-115.0 133.0 16.5 12.7 2.3 32 32 A V E - E 0 110B 0 78,-2.1 78,-2.5 -2,-0.4 2,-0.1 -0.993 19.0-132.1-129.8 133.0 12.9 12.6 3.8 33 33 A L E - E 0 109B 2 -2,-0.4 76,-0.2 76,-0.2 5,-0.1 -0.436 46.6 -80.5 -72.4 152.9 11.9 11.8 7.3 34 34 A D >> - 0 0 9 74,-2.2 3,-1.7 1,-0.1 4,-0.6 -0.228 41.4-119.6 -51.6 143.3 9.2 9.2 7.9 35 35 A S G >4 S+ 0 0 6 133,-2.1 3,-1.4 1,-0.3 134,-0.1 0.887 112.7 51.2 -51.7 -46.4 5.7 10.8 7.5 36 36 A L G 34 S+ 0 0 47 1,-0.3 -1,-0.3 132,-0.3 4,-0.1 0.488 100.3 63.7 -81.1 0.1 4.7 10.0 11.0 37 37 A S G <4 S+ 0 0 51 -3,-1.7 -1,-0.3 71,-0.1 -2,-0.2 0.501 86.8 89.7 -91.7 -11.9 7.8 11.6 12.4 38 38 A H S << S- 0 0 4 -3,-1.4 2,-0.2 -4,-0.6 39,-0.1 -0.466 103.9 -81.0 -71.3 156.2 6.6 14.9 10.9 39 39 A P - 0 0 52 0, 0.0 37,-2.7 0, 0.0 2,-0.5 -0.471 50.8-165.1 -61.5 130.2 4.5 17.0 13.3 40 40 A I E +B 75 0A 37 35,-0.2 2,-0.2 -2,-0.2 35,-0.2 -0.979 20.5 150.0-121.1 123.2 0.9 15.7 13.2 41 41 A H E -B 74 0A 72 33,-2.4 33,-3.0 -2,-0.5 2,-0.2 -0.738 41.3 -86.1-139.6-173.5 -1.9 17.8 14.6 42 42 A R E -B 73 0A 42 7,-0.4 31,-0.2 5,-0.4 3,-0.1 -0.608 44.2 -92.2-104.1 162.3 -5.6 18.5 14.0 43 43 A A > - 0 0 23 29,-2.0 3,-2.0 -2,-0.2 4,-0.2 -0.095 66.2 -58.9 -64.1 167.8 -7.5 20.8 11.7 44 44 A E T 3 S+ 0 0 195 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.134 121.8 9.7 -54.8 137.6 -8.5 24.3 12.7 45 45 A G T 3 S+ 0 0 84 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.324 97.5 103.8 79.7 -8.9 -10.8 24.6 15.7 46 46 A L S < S- 0 0 78 -3,-2.0 -2,-0.1 1,-0.3 -3,-0.1 0.410 81.1-123.0 -88.5 2.5 -10.4 20.9 16.7 47 47 A G - 0 0 44 -4,-0.2 -5,-0.4 -5,-0.1 -1,-0.3 -0.222 40.5 -41.3 85.7-177.8 -8.0 21.5 19.6 48 48 A P S S+ 0 0 124 0, 0.0 2,-0.1 0, 0.0 -7,-0.1 -0.218 82.9 64.1 -83.6 171.6 -4.6 20.2 20.4 49 49 A G - 0 0 46 -7,-0.1 -7,-0.4 -9,-0.1 2,-0.0 -0.262 67.8 -87.4 103.4 172.8 -3.1 16.8 20.0 50 50 A G - 0 0 31 -9,-0.2 -9,-0.2 -2,-0.1 3,-0.1 0.007 34.5 -99.1-101.7-157.5 -2.2 14.3 17.3 51 51 A b S S- 0 0 3 1,-0.4 -10,-0.1 -11,-0.1 2,-0.1 -0.207 83.8 -48.0-127.1 42.3 -3.9 11.6 15.3 52 52 A G - 0 0 33 6,-0.2 -1,-0.4 -12,-0.1 2,-0.3 -0.080 53.2-102.8 111.2 153.8 -2.6 8.5 17.1 53 53 A D > - 0 0 124 4,-0.3 3,-1.6 1,-0.1 0, 0.0 -0.708 51.3 -74.8-105.6 161.4 0.5 6.9 18.4 54 54 A W T 3 S+ 0 0 168 -2,-0.3 125,-0.2 1,-0.2 -1,-0.1 -0.199 117.4 31.3 -54.2 136.3 2.7 4.1 17.0 55 55 A G T 3 S+ 0 0 36 123,-2.2 -1,-0.2 1,-0.3 124,-0.2 0.299 108.8 80.9 99.2 -9.0 1.0 0.7 17.5 56 56 A N S < S- 0 0 81 -3,-1.6 -1,-0.3 122,-0.2 131,-0.1 -0.875 78.8-107.3-129.8 156.3 -2.5 1.9 17.2 57 57 A P - 0 0 56 0, 0.0 -4,-0.3 0, 0.0 131,-0.1 -0.346 57.1 -88.2 -64.1 164.7 -5.3 2.9 14.8 58 58 A P - 0 0 8 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.371 58.2 -82.5 -72.7 157.8 -5.9 6.7 14.7 59 59 A P >> - 0 0 39 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.365 30.2-133.8 -67.8 142.2 -8.5 8.0 17.2 60 60 A K T 34 S+ 0 0 183 1,-0.2 5,-0.1 2,-0.2 128,-0.0 0.721 96.6 72.2 -69.7 -20.5 -12.2 7.7 16.3 61 61 A D T 34 S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.934 119.8 14.2 -62.6 -44.1 -13.0 11.2 17.3 62 62 A V T <4 S+ 0 0 7 -3,-0.5 10,-0.3 1,-0.2 -2,-0.2 0.646 134.5 47.1-101.2 -18.3 -11.2 12.7 14.3 63 63 A c < + 0 0 1 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 -0.488 54.6 141.6-126.2 59.6 -10.8 9.5 12.2 64 64 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.777 84.7 1.0 -67.6 -24.1 -14.1 7.7 12.1 65 65 A D S > S- 0 0 67 -3,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.935 84.3 -97.1-155.0 168.3 -13.3 6.8 8.5 66 66 A V H > S+ 0 0 44 -2,-0.3 4,-2.1 1,-0.2 120,-0.3 0.909 118.8 53.1 -60.6 -44.6 -10.5 7.4 6.0 67 67 A E H > S+ 0 0 105 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.909 112.4 43.2 -61.5 -41.8 -12.2 10.4 4.3 68 68 A S H >> S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 3,-1.0 0.895 111.8 54.0 -71.6 -42.4 -12.7 12.3 7.6 69 69 A c H 3X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -67,-0.3 0.873 102.5 59.4 -56.7 -38.1 -9.2 11.4 8.9 70 70 A A H 3< S+ 0 0 14 -4,-2.1 -1,-0.2 1,-0.2 -68,-0.2 0.709 114.3 35.3 -64.5 -26.2 -7.7 12.9 5.6 71 71 A K H << S+ 0 0 130 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.664 118.2 49.0-102.0 -23.5 -9.3 16.3 6.4 72 72 A N H < S+ 0 0 44 -4,-1.9 -29,-2.0 -10,-0.3 2,-0.5 0.607 100.7 68.6 -94.6 -15.6 -9.0 16.4 10.2 73 73 A b E < - B 0 42A 0 -4,-1.6 -71,-2.7 -31,-0.2 2,-0.4 -0.944 66.0-161.6-114.6 128.8 -5.3 15.4 10.5 74 74 A I E -aB 2 41A 20 -33,-3.0 -33,-2.4 -2,-0.5 2,-0.6 -0.913 6.8-158.8-116.7 131.5 -2.5 17.7 9.4 75 75 A M E -aB 3 40A 0 -73,-2.8 -71,-2.5 -2,-0.4 2,-0.2 -0.950 19.2-146.1-112.2 112.3 1.1 16.7 8.6 76 76 A E - 0 0 29 -37,-2.7 -69,-0.1 -2,-0.6 2,-0.0 -0.559 13.9-116.4 -81.9 144.0 3.5 19.7 8.7 77 77 A G - 0 0 3 -71,-1.0 -69,-0.3 -2,-0.2 -70,-0.1 -0.360 25.1-127.4 -63.2 152.2 6.5 20.1 6.6 78 78 A I - 0 0 3 1,-0.1 -69,-2.8 -72,-0.1 3,-0.2 -0.943 24.5-178.6-107.0 112.3 9.9 20.2 8.4 79 79 A P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.592 77.6 39.7 -88.6 -9.0 11.9 23.3 7.4 80 80 A D > - 0 0 69 1,-0.1 3,-1.6 -69,-0.0 4,-0.1 -0.796 61.3-175.5-143.5 93.8 14.9 22.4 9.5 81 81 A Y G > >S+ 0 0 8 -72,-0.4 3,-2.2 -2,-0.3 5,-1.8 0.719 77.4 77.3 -65.4 -19.1 15.9 18.7 9.5 82 82 A S G > 5S+ 0 0 45 1,-0.3 3,-1.5 3,-0.2 -1,-0.3 0.784 81.8 68.3 -63.6 -21.8 18.6 19.3 12.1 83 83 A Q G < 5S+ 0 0 74 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.627 102.8 45.5 -68.6 -12.9 15.9 19.5 14.7 84 84 A Y G < 5S- 0 0 58 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.122 125.0-101.1-114.8 16.1 15.4 15.8 14.1 85 85 A G T < 5S+ 0 0 0 -3,-1.5 11,-2.7 1,-0.2 2,-0.5 0.708 83.2 127.7 71.6 22.4 19.0 14.9 14.2 86 86 A V E < +F 95 0B 1 -5,-1.8 2,-0.3 9,-0.2 -2,-0.2 -0.954 23.7 149.7-119.2 118.1 19.3 14.7 10.4 87 87 A T E -F 94 0B 47 7,-1.9 7,-2.8 -2,-0.5 2,-0.3 -0.978 23.7-155.2-139.9 155.1 22.0 16.6 8.5 88 88 A T E -F 93 0B 40 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.928 9.3-174.1-127.2 157.8 23.9 16.2 5.2 89 89 A N E > -F 92 0B 138 3,-2.2 3,-2.0 -2,-0.3 2,-0.6 -0.812 66.7 -61.1-148.1 96.6 27.3 17.5 4.0 90 90 A G T 3 S- 0 0 45 1,-0.3 -76,-2.3 -2,-0.3 297,-0.0 -0.478 126.2 -5.3 66.8-108.7 28.0 16.5 0.3 91 91 A T T 3 S+ 0 0 33 -2,-0.6 297,-1.7 -78,-0.2 298,-0.5 0.317 117.6 95.8 -98.9 6.7 28.0 12.7 0.3 92 92 A S E < -FG 89 387B 32 -3,-2.0 -3,-2.2 295,-0.2 2,-0.5 -0.831 50.9-166.8-105.4 137.7 27.6 12.3 4.1 93 93 A L E -FG 88 386B 0 293,-2.9 293,-2.4 -2,-0.4 2,-0.5 -0.990 9.9-161.6-117.1 120.7 24.4 11.8 6.0 94 94 A R E -FG 87 385B 91 -7,-2.8 -7,-1.9 -2,-0.5 2,-0.5 -0.912 3.9-168.5-105.4 126.6 24.6 12.2 9.8 95 95 A L E -FG 86 384B 0 289,-2.9 289,-2.0 -2,-0.5 2,-0.5 -0.965 4.0-163.7-115.7 113.0 22.0 10.7 12.0 96 96 A Q E - 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