==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-AUG-11 3VGI . COMPND 2 MOLECULE: ENDOGLUCANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR M.KATAOKA,H.-W.KIM,K.ISHIKAWA . 270 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 43.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 25 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.1 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 . 2 4 2 1 1 1 3 0 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 50 A K 0 0 152 0, 0.0 49,-2.5 0, 0.0 50,-0.8 0.000 360.0 360.0 360.0 -28.5 51.1 15.7 15.5 2 51 A V E -A 49 0A 73 47,-0.2 2,-0.4 48,-0.1 47,-0.2 -0.995 360.0-157.6-127.7 125.8 48.8 17.5 12.9 3 52 A L E -A 48 0A 45 45,-2.8 45,-2.6 -2,-0.4 2,-0.4 -0.828 17.2-176.1 -95.8 134.1 46.0 15.7 11.1 4 53 A K E -A 47 0A 101 -2,-0.4 2,-0.3 43,-0.2 43,-0.2 -0.997 12.8-179.5-135.7 132.6 44.9 17.4 7.8 5 54 A I E -A 46 0A 7 41,-2.5 41,-2.6 -2,-0.4 2,-0.4 -0.954 13.2-170.2-125.1 147.2 42.2 16.6 5.3 6 55 A R E > -A 45 0A 72 -2,-0.3 4,-2.9 39,-0.2 39,-0.2 -0.994 16.5-115.8-148.0 132.9 41.6 18.6 2.1 7 56 A Y E 4 S+A 44 0A 10 37,-3.0 37,-2.2 -2,-0.4 5,-0.1 -0.920 94.7 7.9-101.8 134.6 39.0 18.9 -0.6 8 57 A P T >4 S+ 0 0 68 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.992 122.8 63.4 -94.2 8.0 39.4 18.3 -3.5 9 58 A D T 34 S+ 0 0 108 1,-0.3 -2,-0.2 3,-0.1 3,-0.1 0.787 109.0 41.4 -61.4 -38.4 42.9 16.8 -3.0 10 59 A D T 3< S- 0 0 95 -4,-2.9 -1,-0.3 1,-0.4 3,-0.3 0.205 126.9 -93.3 -95.6 17.1 41.7 13.9 -0.9 11 60 A G < - 0 0 34 -3,-2.2 -1,-0.4 1,-0.2 -5,-0.0 -0.477 53.7 -57.9 98.2-175.5 38.6 13.3 -3.1 12 61 A E S S+ 0 0 92 1,-0.2 22,-0.3 -2,-0.2 -1,-0.2 0.612 130.7 43.8 -81.5 -11.3 35.0 14.6 -2.9 13 62 A W S S+ 0 0 142 -3,-0.3 -1,-0.2 -5,-0.1 -6,-0.1 -0.415 73.8 177.5-133.0 58.8 34.5 13.2 0.6 14 63 A P + 0 0 5 0, 0.0 18,-2.0 0, 0.0 19,-0.7 -0.326 16.5 143.4 -67.5 143.3 37.6 13.9 2.8 15 64 A G E -B 31 0A 26 16,-0.2 16,-0.2 17,-0.1 -9,-0.1 -0.972 20.1-178.3-168.5 159.9 37.3 12.7 6.5 16 65 A A E -B 30 0A 10 14,-2.3 14,-2.8 -2,-0.3 2,-0.2 -0.979 27.5-107.4-163.4 153.8 39.4 11.2 9.2 17 66 A P E -B 29 0A 61 0, 0.0 2,-0.6 0, 0.0 12,-0.2 -0.597 19.3-139.6 -80.2 149.5 39.3 10.0 12.8 18 67 A I E +B 28 0A 3 10,-3.1 9,-2.3 -2,-0.2 10,-1.3 -0.946 34.8 161.3-103.8 115.3 40.8 11.9 15.7 19 68 A D > + 0 0 39 -2,-0.6 3,-1.6 7,-0.3 5,-0.1 -0.694 10.0 175.2-139.8 79.2 42.4 9.1 17.8 20 69 A K T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.2 30,-0.0 0.795 81.2 45.2 -66.5 -30.9 44.9 10.7 20.1 21 70 A D T 3 S- 0 0 99 4,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.450 103.7-129.2 -92.3 2.3 45.8 7.6 22.0 22 71 A G < + 0 0 61 -3,-1.6 -2,-0.1 1,-0.1 -3,-0.0 0.804 65.0 135.6 59.9 31.4 46.1 5.6 18.8 23 72 A D S S- 0 0 88 2,-0.3 -1,-0.1 1,-0.0 -3,-0.1 0.406 74.8-109.5 -96.8 4.7 43.8 2.9 20.3 24 73 A G S S+ 0 0 53 1,-0.1 -5,-0.0 -5,-0.1 -1,-0.0 0.486 94.7 96.1 84.8 1.6 41.6 2.4 17.2 25 74 A N S S- 0 0 44 66,-0.1 -2,-0.3 67,-0.0 -4,-0.2 -0.967 73.2-137.2-122.2 106.6 38.5 4.0 18.7 26 75 A P - 0 0 9 0, 0.0 67,-2.6 0, 0.0 66,-0.6 -0.375 8.4-150.4 -67.2 147.9 38.3 7.7 17.6 27 76 A E S S- 0 0 32 -9,-2.3 2,-0.3 1,-0.3 -8,-0.2 0.795 85.2 -5.0 -76.4 -33.0 37.4 10.3 20.2 28 77 A F E -B 18 0A 42 -10,-1.3 -10,-3.1 62,-0.1 2,-0.4 -0.939 67.2-138.3-151.4 167.8 35.9 12.4 17.4 29 78 A Y E -BC 17 80A 29 51,-1.9 51,-2.5 -2,-0.3 2,-0.4 -0.999 14.5-152.8-132.5 137.3 35.6 12.1 13.6 30 79 A I E +BC 16 79A 0 -14,-2.8 -14,-2.3 -2,-0.4 2,-0.4 -0.873 13.6 177.1-114.0 141.4 36.0 15.1 11.1 31 80 A E E -BC 15 78A 10 47,-2.3 47,-2.6 -2,-0.4 -16,-0.2 -0.989 30.2-151.1-138.5 138.6 34.5 15.4 7.7 32 81 A I - 0 0 0 -18,-2.0 44,-0.3 -2,-0.4 3,-0.1 0.904 35.5-174.2 -72.9 -36.8 34.7 18.3 5.2 33 82 A N + 0 0 11 -19,-0.7 43,-2.6 1,-0.2 2,-2.1 0.822 19.6 170.9 53.1 53.4 31.2 17.1 4.1 34 83 A L > + 0 0 1 -22,-0.3 3,-1.8 41,-0.2 -1,-0.2 -0.424 17.3 163.2 -84.9 65.7 30.5 19.3 1.1 35 84 A W T 3 + 0 0 72 -2,-2.1 40,-0.2 1,-0.3 -1,-0.2 0.684 64.5 40.6 -73.6 -21.3 27.6 17.0 0.5 36 85 A N T 3 S+ 0 0 2 38,-2.3 31,-2.3 -3,-0.2 2,-0.6 0.216 88.2 105.7-110.8 18.5 25.7 19.2 -1.9 37 86 A I E < + D 0 66A 0 -3,-1.8 29,-0.3 37,-0.3 3,-0.1 -0.859 38.1 177.8-100.6 121.2 28.5 20.5 -4.0 38 87 A L E S- 0 0 88 27,-2.5 2,-0.3 -2,-0.6 28,-0.2 0.888 72.9 -11.3 -79.3 -48.1 28.8 19.0 -7.5 39 88 A N E + D 0 65A 96 26,-1.8 26,-2.8 24,-0.1 -1,-0.4 -0.991 65.7 160.8-153.1 146.9 31.8 21.2 -8.5 40 89 A A E - 0 0 17 -2,-0.3 2,-0.2 24,-0.2 23,-0.2 -0.966 32.4-121.5-158.1 155.2 33.6 24.2 -7.3 41 90 A T E S+ D 0 62A 65 21,-2.5 21,-2.2 -2,-0.3 2,-0.3 -0.640 77.3 32.8 -87.5 165.1 37.0 25.9 -7.8 42 91 A G E S- D 0 61A 41 -2,-0.2 2,-0.3 19,-0.2 19,-0.2 -0.651 82.3 -90.2 90.7-155.8 39.2 26.4 -4.8 43 92 A F E - D 0 60A 40 17,-1.9 17,-3.0 -2,-0.3 2,-0.3 -0.962 11.4-146.0-154.5 166.6 39.6 24.3 -1.7 44 93 A A E -AD 7 59A 0 -37,-2.2 -37,-3.0 -2,-0.3 2,-0.4 -0.981 22.1-177.1-139.3 142.4 38.5 23.4 1.8 45 94 A E E -AD 6 58A 40 13,-2.9 13,-2.8 -2,-0.3 2,-0.4 -1.000 10.9-165.8-143.2 135.4 41.0 22.2 4.4 46 95 A M E -AD 5 57A 0 -41,-2.6 -41,-2.5 -2,-0.4 2,-0.4 -0.992 10.6-174.3-120.8 132.8 40.5 21.0 8.0 47 96 A T E -AD 4 56A 26 9,-2.6 9,-2.8 -2,-0.4 2,-0.5 -0.965 9.3-165.8-126.2 143.1 43.5 20.6 10.4 48 97 A Y E -AD 3 55A 34 -45,-2.6 -45,-2.8 -2,-0.4 2,-0.8 -0.979 11.7-150.7-124.8 120.2 43.6 19.2 13.9 49 98 A N E >> -A 2 0A 47 5,-2.4 4,-2.6 -2,-0.5 3,-1.0 -0.788 6.4-168.5 -91.4 114.5 46.6 19.8 16.0 50 99 A L T 34 S+ 0 0 40 -49,-2.5 -1,-0.2 -2,-0.8 -48,-0.1 0.736 87.4 65.2 -69.9 -25.8 46.8 16.8 18.3 51 100 A T T 34 S+ 0 0 94 -50,-0.8 -1,-0.2 1,-0.1 -49,-0.1 0.663 124.8 10.5 -73.3 -14.6 49.4 18.7 20.3 52 101 A S T <4 S- 0 0 75 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.1 0.372 95.2-121.9-139.8 -15.6 46.7 21.6 21.4 53 102 A G < + 0 0 15 -4,-2.6 2,-0.6 1,-0.3 -3,-0.2 0.671 58.8 152.2 77.1 16.3 43.4 20.0 20.2 54 103 A V - 0 0 45 -5,-0.4 -5,-2.4 201,-0.0 2,-0.5 -0.759 30.6-160.3 -83.7 129.5 42.7 23.1 18.0 55 104 A L E -DE 48 256A 2 201,-2.9 201,-2.5 -2,-0.6 2,-0.5 -0.908 11.2-172.7 -98.4 129.0 40.5 22.2 15.0 56 105 A H E -DE 47 255A 56 -9,-2.8 -9,-2.6 -2,-0.5 2,-0.5 -0.982 7.2-166.7-131.5 121.4 40.8 24.8 12.2 57 106 A Y E -DE 46 254A 0 197,-2.9 197,-2.2 -2,-0.5 2,-0.4 -0.947 5.3-177.7-109.7 133.0 38.7 24.9 9.1 58 107 A V E +DE 45 253A 31 -13,-2.8 -13,-2.9 -2,-0.5 2,-0.4 -0.997 5.2 179.4-130.6 123.7 39.6 27.1 6.1 59 108 A Q E +DE 44 252A 2 193,-2.8 193,-2.3 -2,-0.4 2,-0.3 -0.995 15.4 168.7-131.5 133.0 37.3 27.2 3.0 60 109 A Q E +DE 43 251A 87 -17,-3.0 -17,-1.9 -2,-0.4 2,-0.4 -0.784 20.6 163.4-140.0 83.5 37.7 29.2 -0.2 61 110 A L E +DE 42 250A 0 189,-1.9 189,-2.9 -2,-0.3 2,-0.3 -0.903 5.4 166.9-110.6 138.7 35.2 27.9 -2.8 62 111 A D E +D 41 0A 54 -21,-2.2 -21,-2.5 -2,-0.4 187,-0.2 -0.808 58.1 37.5-135.6 176.3 34.1 29.7 -5.9 63 112 A N E S- 0 0 108 -2,-0.3 2,-0.3 -23,-0.2 186,-0.2 0.872 80.3-171.1 50.5 39.1 32.2 28.8 -9.1 64 113 A I E - 0 0 11 184,-2.5 2,-0.4 -3,-0.1 -24,-0.2 -0.484 15.6-177.4 -73.8 131.1 30.0 26.6 -6.9 65 114 A V E -D 39 0A 78 -26,-2.8 -27,-2.5 -2,-0.3 -26,-1.8 -0.993 20.6-136.8-120.3 130.6 27.5 24.3 -8.6 66 115 A L E -D 37 0A 24 -2,-0.4 -29,-0.3 -29,-0.3 3,-0.3 -0.442 10.6-135.1 -89.4 154.5 25.2 22.3 -6.4 67 116 A R S S+ 0 0 92 -31,-2.3 2,-0.3 1,-0.3 -30,-0.1 0.903 99.0 2.3 -64.9 -44.8 24.2 18.6 -6.7 68 117 A D > - 0 0 76 -32,-0.4 3,-1.9 1,-0.1 -1,-0.3 -0.865 62.3-157.4-151.0 108.1 20.5 19.4 -6.0 69 118 A R G > S+ 0 0 163 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.798 91.1 69.4 -55.8 -31.8 19.4 23.1 -5.5 70 119 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.689 86.8 65.9 -66.3 -19.2 16.3 21.8 -3.6 71 120 A N G < S- 0 0 76 -3,-1.9 2,-2.2 1,-0.2 -1,-0.3 0.568 90.4-158.7 -80.2 -7.5 18.6 20.8 -0.7 72 121 A W < + 0 0 139 -3,-2.0 -1,-0.2 -4,-0.2 2,-0.1 -0.353 58.3 71.7 79.2 -71.4 19.4 24.5 -0.2 73 122 A V S S- 0 0 11 -2,-2.2 170,-0.2 1,-0.1 171,-0.1 -0.375 70.4-139.5 -77.3 165.6 22.7 24.4 1.7 74 123 A H - 0 0 0 168,-3.2 -38,-2.3 1,-0.3 2,-0.3 0.736 66.6 -38.4 -92.8 -34.2 26.0 23.4 0.2 75 124 A G B -F 242 0A 0 167,-0.7 167,-1.2 -40,-0.2 -1,-0.3 -0.970 39.6-123.5-178.8 179.3 27.6 21.4 2.9 76 125 A Y - 0 0 3 -43,-2.6 165,-0.2 -2,-0.3 -45,-0.1 -0.560 21.2-163.5-152.3 69.8 28.2 20.8 6.6 77 126 A P + 0 0 0 0, 0.0 163,-1.9 0, 0.0 2,-0.3 -0.412 37.4 152.7 -58.7 134.9 31.9 20.7 7.5 78 127 A E E -CG 31 239A 0 -47,-2.6 -47,-2.3 161,-0.2 2,-0.3 -0.952 50.1-131.3-159.9 166.2 31.9 19.2 10.9 79 128 A I E -CG 30 238A 7 159,-2.5 159,-2.7 -2,-0.3 2,-0.3 -0.987 34.7-175.8-129.4 142.1 33.2 17.2 13.8 80 129 A F E -CG 29 237A 1 -51,-2.5 -51,-1.9 -2,-0.3 2,-0.4 -0.945 23.7-148.9-143.4 157.5 31.2 14.5 15.5 81 130 A Y E + G 0 236A 9 155,-2.5 155,-2.7 -2,-0.3 2,-0.3 -0.973 68.8 19.0-119.4 142.0 31.0 12.0 18.3 82 131 A G E S-HG 91 235A 0 9,-2.9 9,-2.1 -2,-0.4 2,-0.7 -0.728 109.1 -31.7 99.3-156.6 29.1 8.7 18.1 83 132 A N E -H 90 0A 0 151,-2.8 7,-0.2 -2,-0.3 55,-0.2 -0.911 51.2-145.9-105.2 114.3 27.9 6.9 14.9 84 133 A K > - 0 0 10 5,-1.5 3,-1.2 -2,-0.7 5,-0.3 -0.691 13.6-148.7 -74.8 125.4 27.1 9.2 12.0 85 134 A P T 3 S+ 0 0 0 0, 0.0 56,-2.6 0, 0.0 -1,-0.1 0.477 85.4 67.0 -84.9 2.1 24.2 7.2 10.3 86 135 A W T 3 S+ 0 0 104 54,-0.2 2,-0.3 3,-0.1 53,-0.2 0.515 112.2 8.0 -91.6 -9.2 24.9 8.3 6.7 87 136 A N S < S- 0 0 39 -3,-1.2 54,-0.1 51,-0.3 53,-0.1 -0.886 86.6 -86.1-157.9-176.7 28.2 6.5 6.4 88 137 A A S S+ 0 0 76 -2,-0.3 2,-0.3 -5,-0.1 51,-0.1 0.156 83.6 116.2 -91.3 18.7 30.6 4.0 8.1 89 138 A N + 0 0 39 -5,-0.3 -5,-1.5 50,-0.1 2,-0.3 -0.718 36.0 156.5 -92.2 144.6 32.4 6.7 10.2 90 139 A Y E -H 83 0A 88 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.976 30.0-160.8-158.1 163.7 32.2 6.7 14.0 91 140 A A E +H 82 0A 0 -9,-2.1 -9,-2.9 -2,-0.3 -64,-0.2 -0.904 20.4 158.2-154.6 115.0 33.9 7.9 17.2 92 141 A T + 0 0 42 -66,-0.6 2,-1.4 -2,-0.3 -65,-0.2 0.282 37.6 111.5-128.8 17.2 33.0 6.2 20.4 93 142 A D + 0 0 51 -67,-2.6 -1,-0.0 -11,-0.1 -68,-0.0 -0.678 61.9 87.6 -90.8 83.7 36.0 6.9 22.7 94 143 A G S S- 0 0 34 -2,-1.4 4,-0.1 4,-0.0 -66,-0.0 -0.970 87.6 -94.2-170.2 172.5 34.2 9.2 25.2 95 144 A P S S+ 0 0 91 0, 0.0 167,-0.1 0, 0.0 -1,-0.0 0.720 100.0 73.0 -77.8 -19.8 32.1 9.3 28.4 96 145 A I S S- 0 0 0 165,-0.1 2,-1.7 1,-0.0 -2,-0.0 -0.834 82.6-131.5 -99.0 130.5 28.6 9.3 26.8 97 146 A P - 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