==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-02 1KS4 . COMPND 2 MOLECULE: ENDOGLUCANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR S.KHADEMI,D.ZHANG,S. M.SWANSON,A.WARTENBERG,C.WITTE,E. . 223 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 46.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 27 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.0 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 1 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 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 PARALLEL BRIDGES PER LADDER . 0 1 0 1 1 3 1 1 2 0 2 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 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 1 A Q 0 0 124 0, 0.0 32,-0.2 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 169.9 106.7 86.5 -20.7 2 2 A T + 0 0 107 1,-0.1 2,-4.2 30,-0.1 32,-0.1 -0.069 360.0 151.3 -92.8 32.6 106.9 85.0 -17.3 3 3 A M + 0 0 23 30,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.274 7.4 147.6 -63.0 62.0 104.9 88.0 -16.1 4 4 A a + 0 0 42 -2,-4.2 27,-0.2 28,-0.1 -1,-0.2 0.000 30.5 122.7 -90.6 26.3 103.5 85.7 -13.3 5 5 A S S S- 0 0 65 1,-0.0 3,-0.2 14,-0.0 16,-0.2 0.007 80.7 -90.7 -73.6-173.0 103.3 88.8 -11.0 6 6 A Q S S+ 0 0 62 1,-0.3 15,-2.2 14,-0.1 2,-0.5 0.987 110.0 10.3 -68.1 -60.9 100.0 90.0 -9.4 7 7 A Y E S+A 20 0A 131 13,-0.2 2,-0.3 14,-0.1 -1,-0.3 -0.980 80.3 162.8-124.2 117.5 98.7 92.4 -12.0 8 8 A D E -A 19 0A 34 11,-1.8 11,-2.1 -2,-0.5 2,-0.4 -0.991 16.3-166.4-139.3 148.1 100.5 92.4 -15.4 9 9 A S E -A 18 0A 89 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 10.1-175.7-137.4 140.1 99.8 93.7 -18.9 10 10 A A E +A 17 0A 10 7,-1.7 7,-2.4 -2,-0.4 2,-0.4 -0.993 24.1 179.7-129.5 117.5 101.3 93.2 -22.3 11 11 A S E +A 16 0A 83 -2,-0.4 5,-0.3 5,-0.2 29,-0.1 -0.943 32.1 179.0-130.0 152.1 99.7 95.3 -25.0 12 12 A S E > -A 15 0A 38 3,-2.7 3,-2.2 -2,-0.4 30,-0.2 -0.820 66.8 -73.1-141.6 88.0 100.0 95.9 -28.7 13 13 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 53,-0.1 0.104 119.0 12.9 -33.7 133.3 97.2 98.5 -29.3 14 14 A P T 3 S+ 0 0 49 0, 0.0 53,-2.8 0, 0.0 2,-0.2 -0.963 123.5 66.3 -90.6 15.5 94.4 98.0 -29.3 15 15 A Y E < +AB 12 66A 19 -3,-2.2 -3,-2.7 51,-0.2 2,-0.3 -0.594 51.6 175.5 -97.7 155.4 95.0 94.5 -27.8 16 16 A S E -AB 11 65A 22 49,-1.7 49,-2.2 -5,-0.3 2,-0.5 -0.994 23.0-146.0-151.8 152.4 96.3 93.4 -24.4 17 17 A V E -AB 10 64A 0 -7,-2.4 -7,-1.7 -2,-0.3 2,-0.5 -0.991 26.6-163.2-119.2 124.5 96.9 90.2 -22.4 18 18 A N E -AB 9 63A 22 45,-4.1 45,-2.4 -2,-0.5 2,-0.5 -0.949 17.8-155.9-124.8 126.9 96.3 90.6 -18.7 19 19 A Q E +A 8 0A 2 -11,-2.1 -11,-1.8 -2,-0.5 2,-0.3 -0.801 22.8 179.8 -88.6 129.2 97.4 88.4 -15.8 20 20 A N E +A 7 0A 38 -2,-0.5 41,-2.5 -13,-0.2 2,-0.9 -0.731 18.0 169.6-142.8 93.0 95.0 89.2 -13.0 21 21 A L > + 0 0 4 -15,-2.2 3,-1.0 -2,-0.3 39,-0.2 -0.562 18.6 150.2 -99.7 67.7 95.4 87.4 -9.6 22 22 A W T 3 S+ 0 0 130 -2,-0.9 38,-0.2 1,-0.2 -1,-0.2 0.190 76.1 44.5 -85.0 17.7 92.9 89.5 -7.5 23 23 A G T >> S+ 0 0 3 36,-1.7 3,-2.7 34,-0.1 4,-0.7 0.174 70.8 121.7-140.7 11.0 92.1 86.5 -5.3 24 24 A E T <4 S+ 0 0 68 -3,-1.0 5,-0.2 35,-0.3 -2,-0.1 0.649 74.2 57.2 -52.2 -18.5 95.7 85.2 -4.8 25 25 A Y T 34 S+ 0 0 201 1,-0.2 -1,-0.3 -4,-0.1 34,-0.1 0.365 94.8 63.9 -98.5 5.6 95.1 85.6 -1.0 26 26 A Q T <4 S+ 0 0 103 -3,-2.7 2,-0.2 27,-0.1 -2,-0.2 0.635 114.0 7.7 -99.9 -19.4 92.0 83.4 -0.8 27 27 A G S < S- 0 0 16 -4,-0.7 2,-0.4 -3,-0.1 26,-0.2 -0.581 77.4 -98.4-139.4-157.8 93.8 80.2 -1.8 28 28 A T E +J 52 0B 107 24,-1.7 24,-1.5 -2,-0.2 2,-0.3 -0.998 62.9 71.4-139.1 132.4 97.1 78.6 -2.5 29 29 A G E -J 51 0B 37 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.981 61.7 -88.7 158.7-166.8 98.7 77.9 -5.9 30 30 A S E -J 50 0B 80 20,-1.1 20,-1.5 -2,-0.3 2,-0.3 -0.986 24.4-179.0-142.7 152.7 100.4 79.5 -8.8 31 31 A Q E -J 49 0B 6 -2,-0.3 2,-0.3 -27,-0.2 18,-0.2 -0.947 0.5-178.1-154.9 128.4 99.6 81.0 -12.2 32 32 A a E -J 48 0B 26 16,-1.2 16,-1.0 -2,-0.3 2,-0.4 -0.821 17.0-143.8-117.9 160.9 101.6 82.5 -15.0 33 33 A V E -J 47 0B 0 -2,-0.3 2,-0.4 -32,-0.2 -30,-0.4 -0.996 14.2-163.7-129.1 125.5 100.3 84.0 -18.3 34 34 A Y E -J 46 0B 76 12,-3.5 12,-2.5 -2,-0.4 2,-0.4 -0.910 12.4-140.3-114.1 137.9 102.2 83.5 -21.5 35 35 A V E +J 45 0B 32 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.795 18.6 177.8 -92.6 134.0 101.8 85.5 -24.7 36 36 A D E S- 0 0 79 8,-2.5 2,-0.3 -2,-0.4 9,-0.2 0.780 73.6 -8.7-102.2 -37.8 102.0 83.4 -27.9 37 37 A K E +J 44 0B 130 7,-2.0 7,-2.6 2,-0.0 2,-0.4 -0.866 66.6 174.6-163.8 122.8 101.3 86.1 -30.5 38 38 A L E +J 43 0B 41 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.967 17.2 132.7-141.1 122.0 100.2 89.6 -29.8 39 39 A S E > S-J 42 0B 36 3,-2.0 3,-1.5 -2,-0.4 -27,-0.2 -0.872 70.7 -80.5-151.1-179.3 99.8 92.4 -32.4 40 40 A S T 3 S+ 0 0 74 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.481 124.5 59.3 -70.7 1.3 97.2 95.1 -33.4 41 41 A S T 3 S- 0 0 90 1,-0.4 2,-0.3 178,-0.0 -1,-0.3 0.453 118.9 -45.9-108.2 -3.9 95.4 92.3 -35.3 42 42 A G E < -J 39 0B 3 -3,-1.5 -3,-2.0 -30,-0.2 2,-0.4 -0.866 50.6-101.5 155.8 170.9 94.6 89.9 -32.4 43 43 A A E -J 38 0B 1 175,-1.7 2,-0.4 -2,-0.3 175,-0.3 -0.980 19.6-179.4-131.8 138.2 95.8 88.0 -29.4 44 44 A S E +J 37 0B 15 -7,-2.6 -8,-2.5 -2,-0.4 -7,-2.0 -1.000 27.4 137.0-132.4 129.9 96.9 84.5 -28.8 45 45 A W E -JK 35 215B 0 170,-1.5 170,-3.5 -2,-0.4 2,-0.3 -0.981 30.5-150.7-163.8 170.7 97.9 83.4 -25.3 46 46 A H E -JK 34 214B 48 -12,-2.5 -12,-3.5 -2,-0.3 2,-0.4 -0.987 2.8-158.2-151.2 157.7 97.7 80.7 -22.6 47 47 A T E -JK 33 213B 0 166,-2.1 166,-2.8 -2,-0.3 2,-0.4 -1.000 6.7-152.0-140.1 140.1 97.9 80.4 -18.9 48 48 A E E +JK 32 212B 83 -16,-1.0 -16,-1.2 -2,-0.4 2,-0.3 -0.881 26.0 174.0-109.7 143.4 98.7 77.5 -16.6 49 49 A W E -JK 31 211B 0 162,-2.6 162,-2.1 -2,-0.4 2,-0.3 -0.999 28.2-176.4-156.1 156.6 97.2 77.3 -13.1 50 50 A T E +J 30 0B 40 -20,-1.5 -20,-1.1 -2,-0.3 2,-0.4 -0.937 19.0 173.4-150.0 120.7 96.7 75.4 -9.9 51 51 A W E -JK 29 208B 2 157,-2.7 157,-2.9 -2,-0.3 2,-0.3 -0.991 5.8-176.6-136.2 144.0 94.6 76.6 -6.9 52 52 A S E +J 28 0B 69 -24,-1.5 -24,-1.7 -2,-0.4 -2,-0.0 -0.949 46.4 16.5-136.4 155.6 93.4 75.2 -3.6 53 53 A G S S+ 0 0 48 -2,-0.3 4,-0.2 -26,-0.2 -25,-0.1 0.075 87.1 70.1 72.0 170.2 91.2 76.2 -0.8 54 54 A G > - 0 0 35 1,-0.1 3,-1.4 -27,-0.1 -27,-0.1 0.844 69.0-169.1 51.6 41.0 88.7 79.1 -0.7 55 55 A E T 3 + 0 0 86 1,-0.2 -1,-0.1 -29,-0.0 3,-0.1 -0.177 68.7 39.8 -56.1 154.1 86.3 77.3 -3.1 56 56 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 37,-0.0 -1,-0.2 0.386 98.4 99.4 84.6 -5.8 83.5 79.5 -4.4 57 57 A T S < S- 0 0 38 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.2 -0.965 75.3-126.2-120.1 126.9 86.0 82.3 -4.7 58 58 A V - 0 0 22 -2,-0.5 148,-0.2 1,-0.2 3,-0.1 -0.519 20.1-170.7 -69.1 127.3 87.6 83.3 -8.0 59 59 A K - 0 0 0 146,-3.2 -36,-1.7 -2,-0.3 -35,-0.3 0.748 64.1 -5.3 -90.2 -28.2 91.4 83.4 -7.6 60 60 A S E - C 0 205A 0 145,-0.9 145,-1.6 -39,-0.2 -1,-0.3 -0.989 45.0-150.4-161.1 164.0 92.2 85.0 -11.0 61 61 A Y E - C 0 204A 9 -41,-2.5 2,-0.3 -2,-0.3 143,-0.2 -0.686 18.9-172.1-143.7 83.6 90.9 86.2 -14.3 62 62 A S E + C 0 203A 0 141,-1.1 141,-1.8 -2,-0.2 2,-0.3 -0.585 26.8 151.8 -74.7 138.7 93.5 86.0 -17.0 63 63 A N E -BC 18 202A 1 -45,-2.4 -45,-4.1 -2,-0.3 2,-0.4 -0.987 47.2-122.4-162.5 169.5 92.2 87.6 -20.1 64 64 A S E -BC 17 201A 0 137,-2.7 137,-2.1 -2,-0.3 2,-0.3 -0.935 35.3-175.1-116.9 140.3 92.8 89.5 -23.4 65 65 A G E -BC 16 200A 3 -49,-2.2 -49,-1.7 -2,-0.4 2,-0.4 -0.829 19.2-138.0-130.5 172.6 91.1 92.9 -23.8 66 66 A V E -B 15 0A 10 133,-1.3 133,-0.4 -2,-0.3 2,-0.2 -0.996 18.0-135.7-135.9 128.9 90.7 95.5 -26.4 67 67 A T + 0 0 95 -53,-2.8 2,-0.3 -2,-0.4 155,-0.2 -0.598 37.5 148.4 -84.1 143.8 91.0 99.2 -25.8 68 68 A F - 0 0 30 -2,-0.2 2,-0.5 129,-0.2 131,-0.0 -0.953 48.8 -73.9-161.8 174.6 88.4 101.5 -27.3 69 69 A N - 0 0 144 -2,-0.3 127,-0.1 153,-0.2 -2,-0.0 -0.725 50.0-109.9 -89.3 123.5 86.5 104.8 -26.8 70 70 A K + 0 0 90 -2,-0.5 2,-0.3 127,-0.1 127,-0.2 -0.177 50.3 167.3 -47.0 128.5 83.8 104.9 -24.2 71 71 A K E -D 196 0A 65 125,-1.0 125,-2.2 -3,-0.0 5,-0.1 -0.993 41.9 -89.0-152.2 144.5 80.4 105.2 -25.9 72 72 A L E > -D 195 0A 31 -2,-0.3 3,-2.0 123,-0.2 4,-0.3 -0.219 33.6-129.5 -51.1 131.9 76.7 104.9 -25.1 73 73 A V G > S+ 0 0 5 121,-3.0 3,-1.6 118,-0.5 119,-0.2 0.863 110.9 57.1 -52.5 -39.2 75.4 101.3 -25.6 74 74 A S G 3 S+ 0 0 61 117,-1.4 -1,-0.3 120,-0.3 118,-0.1 0.705 103.5 55.3 -66.7 -18.4 72.6 102.7 -27.6 75 75 A D G < S+ 0 0 102 -3,-2.0 2,-0.5 116,-0.3 -1,-0.3 0.419 82.5 109.8 -92.9 -0.9 75.2 104.3 -29.9 76 76 A V < - 0 0 10 -3,-1.6 3,-0.1 -4,-0.3 -3,-0.0 -0.673 44.6-174.7 -81.6 124.3 76.9 101.0 -30.6 77 77 A S - 0 0 78 146,-1.0 2,-0.3 -2,-0.5 -1,-0.2 0.806 66.3 -23.5 -85.5 -34.9 76.5 99.7 -34.1 78 78 A S - 0 0 28 145,-1.2 145,-2.7 2,-0.1 -1,-0.3 -0.934 39.0-151.3-174.7 151.9 78.2 96.4 -33.6 79 79 A I - 0 0 0 -2,-0.3 97,-2.4 143,-0.2 2,-0.2 -0.743 26.9-170.3-129.4 79.3 80.7 94.4 -31.5 80 80 A P E +L 175 0B 56 0, 0.0 141,-1.8 0, 0.0 2,-0.3 -0.526 15.0 161.4 -74.2 142.0 82.2 91.8 -33.8 81 81 A T E -LM 174 220B 6 93,-1.6 93,-1.9 139,-0.2 2,-0.3 -0.985 19.4-172.5-159.1 147.9 84.3 89.2 -32.1 82 82 A S E +LM 173 219B 39 137,-1.6 137,-2.3 -2,-0.3 2,-0.3 -0.987 9.0 175.4-142.6 150.0 85.7 85.7 -32.7 83 83 A V E -LM 172 218B 7 89,-2.7 89,-2.1 -2,-0.3 2,-0.4 -0.991 17.0-167.6-156.0 149.6 87.6 83.3 -30.5 84 84 A E E +LM 171 217B 104 133,-1.6 132,-1.5 -2,-0.3 133,-1.2 -0.958 29.2 155.1-141.1 115.8 89.0 79.8 -30.6 85 85 A W E - M 0 215B 3 85,-2.3 2,-0.3 -2,-0.4 130,-0.2 -0.845 24.8-154.9-136.7 173.9 90.2 78.3 -27.3 86 86 A K E - M 0 214B 101 128,-2.1 128,-2.8 -2,-0.3 2,-0.5 -0.986 10.9-143.0-155.1 142.9 90.7 75.1 -25.4 87 87 A Q E - M 0 213B 23 -2,-0.3 2,-0.8 126,-0.2 126,-0.2 -0.942 11.6-155.9-108.5 121.4 90.8 73.9 -21.8 88 88 A D E S+ M 0 212B 113 124,-3.3 124,-2.3 -2,-0.5 -2,-0.0 -0.896 78.1 18.4-102.9 107.2 93.4 71.3 -21.0 89 89 A N - 0 0 56 -2,-0.8 -1,-0.2 122,-0.2 120,-0.0 0.782 61.9-166.8 95.1 96.5 92.1 69.4 -17.9 90 90 A T + 0 0 87 1,-0.2 2,-1.8 -3,-0.2 35,-0.4 0.378 63.3 101.5 -89.8 3.1 88.4 69.9 -17.2 91 91 A N S S+ 0 0 138 33,-0.1 118,-0.5 2,-0.1 2,-0.3 -0.313 70.3 91.3 -83.7 54.8 88.5 68.5 -13.7 92 92 A V S S- 0 0 4 -2,-1.8 2,-0.7 116,-0.2 116,-0.2 -0.853 81.1-112.2-140.3 174.3 88.4 72.1 -12.3 93 93 A N E +E 207 0A 20 114,-2.7 113,-2.8 -2,-0.3 114,-1.1 -0.928 69.3 105.8-113.5 101.8 86.2 74.8 -11.1 94 94 A A E -EF 205 124A 0 30,-0.8 30,-3.0 -2,-0.7 2,-0.3 -0.976 49.7-138.7-166.4 165.7 86.4 77.6 -13.6 95 95 A D E -EF 204 123A 0 109,-1.7 109,-1.8 -2,-0.3 2,-0.5 -0.920 10.0-139.5-134.1 161.3 84.6 79.3 -16.5 96 96 A V E +EF 203 122A 0 26,-2.0 25,-2.8 -2,-0.3 26,-1.3 -0.991 44.3 153.1-119.5 117.9 85.5 80.8 -19.9 97 97 A A E -EF 202 120A 0 105,-2.7 105,-2.3 -2,-0.5 2,-0.4 -0.984 49.6-119.9-153.2 160.3 83.8 84.0 -20.6 98 98 A Y E -EF 201 119A 0 21,-2.4 21,-2.2 -2,-0.3 2,-0.5 -0.791 33.3-157.8 -92.0 139.8 83.5 87.4 -22.2 99 99 A D E +EF 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