==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-10 3NGM . COMPND 2 MOLECULE: EXTRACELLULAR LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIBBERELLA ZEAE; . AUTHOR Z.Y.LOU,M.LI,Y.N.SUN,Y.LIU,Z.LIU,Z.H.RAO . 1188 8 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 833 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 92 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 339 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.4 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 5 3 0 4 0 4 0 0 0 0 0 2 2 2 0 1 3 1 2 2 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 9 1 6 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 . 12 8 3 3 0 6 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 1 3 0 0 0 0 3 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 A 0 0 144 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.6 27.9 24.4 32.6 2 2 A V + 0 0 57 234,-0.1 2,-0.2 0, 0.0 234,-0.1 -0.980 360.0 168.0-130.4 141.2 26.7 25.4 29.2 3 3 A S - 0 0 85 -2,-0.4 2,-0.3 232,-0.0 232,-0.1 -0.766 33.2 -94.7-140.6-174.1 24.9 28.6 28.2 4 4 A V - 0 0 32 -2,-0.2 2,-0.3 230,-0.1 3,-0.1 -0.742 35.6-156.0-106.6 158.0 23.7 30.7 25.3 5 5 A S > - 0 0 46 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.903 30.8-103.3-133.6 163.3 25.6 33.6 23.8 6 6 A T H > S+ 0 0 116 -2,-0.3 4,-1.5 1,-0.3 3,-0.4 0.935 125.0 31.4 -43.6 -67.5 25.1 36.8 21.7 7 7 A T H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.723 113.6 64.4 -67.4 -22.8 26.4 35.3 18.5 8 8 A D H > S+ 0 0 30 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.913 107.4 42.6 -65.7 -40.7 25.1 31.9 19.5 9 9 A F H X S+ 0 0 16 -4,-3.1 4,-2.3 -3,-0.4 -2,-0.2 0.824 111.0 55.7 -73.4 -31.6 21.6 33.3 19.3 10 10 A G H X S+ 0 0 34 -4,-1.5 4,-1.2 -5,-0.3 -2,-0.2 0.890 105.7 51.2 -66.4 -40.1 22.4 35.2 16.1 11 11 A N H X S+ 0 0 23 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.888 107.8 55.0 -62.8 -39.5 23.5 31.9 14.5 12 12 A F H X S+ 0 0 1 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.964 109.7 43.7 -58.6 -53.9 20.2 30.5 15.7 13 13 A K H < S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.728 116.3 52.7 -65.4 -19.1 18.1 33.2 14.0 14 14 A F H >X S+ 0 0 13 -4,-1.2 3,-1.0 -5,-0.2 4,-0.6 0.896 100.6 53.4 -87.0 -40.9 20.3 32.8 10.9 15 15 A Y H >X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 3,-0.5 0.762 92.0 70.0 -70.7 -22.9 20.3 29.1 10.1 16 16 A I H 3X S+ 0 0 3 -4,-1.0 4,-4.5 1,-0.3 5,-0.3 0.770 90.4 65.7 -65.3 -18.4 16.6 28.6 9.9 17 17 A Q H <> S+ 0 0 13 -3,-1.0 4,-1.3 2,-0.2 -1,-0.3 0.953 106.0 41.3 -64.7 -42.8 16.7 30.7 6.7 18 18 A H H X S+ 0 0 0 -4,-1.3 3,-1.9 -5,-0.3 4,-1.7 0.838 87.7 69.3 -78.7 -32.8 15.2 27.4 2.2 22 22 A A H 3X S+ 0 0 0 -4,-1.4 4,-0.5 -3,-0.5 58,-0.3 0.790 85.4 75.7 -55.3 -23.8 15.6 23.7 1.8 23 23 A Y H 34 S+ 0 0 21 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.280 117.6 6.4 -71.4 9.7 11.9 23.8 1.2 24 24 A a H <4 S+ 0 0 49 -3,-1.9 -2,-0.2 244,-0.1 -1,-0.2 0.383 119.9 64.2-169.3 -4.3 12.4 25.1 -2.3 25 25 A N H < S+ 0 0 4 -4,-1.7 3,-0.2 1,-0.1 -3,-0.2 0.240 74.8 95.1-109.6 9.4 16.1 25.2 -3.3 26 26 A S S < S+ 0 0 2 -4,-0.5 38,-0.3 -5,-0.3 -1,-0.1 0.096 92.9 40.4 -85.5 22.4 16.2 21.4 -3.1 27 27 A E S S+ 0 0 131 -3,-0.2 -1,-0.2 36,-0.1 -2,-0.1 0.355 88.1 123.9-140.8 -17.2 15.5 21.5 -6.8 28 28 A A - 0 0 14 -3,-0.2 2,-0.2 25,-0.1 26,-0.1 -0.160 60.5-120.0 -54.9 144.3 17.8 24.4 -7.7 29 29 A P > - 0 0 92 0, 0.0 3,-2.0 0, 0.0 22,-0.3 -0.493 42.0 -81.1 -83.7 152.1 20.5 23.9 -10.4 30 30 A A T 3 S+ 0 0 64 1,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.049 118.7 27.2 -49.2 160.2 24.1 24.4 -9.6 31 31 A G T 3 S+ 0 0 59 20,-2.0 -1,-0.3 1,-0.2 21,-0.1 0.136 92.4 128.8 72.2 -24.4 25.2 28.1 -9.8 32 32 A A < - 0 0 30 -3,-2.0 19,-2.2 -2,-0.3 2,-0.6 -0.064 64.7-110.8 -57.1 165.4 21.6 29.2 -8.9 33 33 A K B -A 50 0A 129 17,-0.2 17,-0.3 -3,-0.1 -1,-0.1 -0.910 29.2-111.9-108.1 118.5 21.2 31.6 -6.0 34 34 A V + 0 0 1 15,-1.5 2,-0.3 -2,-0.6 15,-0.1 -0.216 52.5 174.6 -44.1 127.1 19.5 30.3 -2.9 35 35 A T - 0 0 71 -14,-0.2 2,-0.4 2,-0.0 -1,-0.0 -0.999 20.7-171.5-147.2 141.7 16.3 32.1 -2.9 36 36 A b - 0 0 8 -2,-0.3 3,-0.4 -11,-0.0 2,-0.3 -0.979 15.6-139.7-133.6 145.3 13.1 32.1 -0.9 37 37 A S S S+ 0 0 78 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.775 84.3 38.8-102.1 149.1 9.7 33.8 -1.4 38 38 A G S S- 0 0 68 -2,-0.3 -1,-0.2 1,-0.2 229,-0.1 0.822 132.8 -67.9 82.9 31.3 7.8 35.4 1.5 39 39 A N S S+ 0 0 131 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.759 89.3 154.8 56.6 27.1 11.0 36.7 3.1 40 40 A G S S- 0 0 0 1,-0.2 -20,-0.2 -3,-0.1 226,-0.1 0.825 77.2 -3.8 -53.8 -36.4 11.8 33.0 3.8 41 41 A b S >> S+ 0 0 0 -5,-0.3 4,-1.8 -21,-0.1 3,-0.5 -0.084 72.2 158.5-156.0 48.7 15.5 33.7 3.9 42 42 A P H 3> S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.800 78.1 53.4 -44.7 -43.2 16.4 37.3 3.2 43 43 A T H 3> S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -29,-0.1 0.951 106.5 52.0 -62.5 -46.8 19.8 37.2 4.9 44 44 A V H <4>S+ 0 0 0 -3,-0.5 5,-1.3 1,-0.3 -1,-0.2 0.906 113.8 45.2 -54.4 -41.1 20.8 34.2 2.9 45 45 A Q H <5S+ 0 0 89 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.825 106.9 58.9 -72.5 -31.7 19.9 36.2 -0.2 46 46 A S H <5S+ 0 0 97 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.936 107.6 50.8 -61.9 -46.6 21.6 39.3 1.1 47 47 A N T <5S- 0 0 18 -4,-2.5 22,-0.0 -5,-0.1 2,-0.0 -0.200 111.8 -98.9 -75.2-178.5 24.9 37.3 1.2 48 48 A G T 5 + 0 0 20 2,-0.0 20,-0.2 -15,-0.0 -3,-0.1 -0.099 51.9 173.5-101.2 41.3 25.7 35.5 -2.0 49 49 A A < + 0 0 2 -5,-1.3 -15,-1.5 20,-0.1 2,-0.3 -0.236 10.2 180.0 -52.1 117.6 24.5 32.0 -1.0 50 50 A T E -AB 33 68A 25 18,-1.9 18,-2.0 -17,-0.3 2,-0.3 -0.896 28.6-108.6-123.8 151.1 24.7 29.9 -4.1 51 51 A I E - B 0 67A 4 -19,-2.2 -20,-2.0 -2,-0.3 16,-0.3 -0.576 22.1-178.0 -81.3 137.1 23.9 26.2 -4.8 52 52 A V E S- 0 0 18 14,-3.9 2,-0.3 1,-0.5 -22,-0.2 0.676 77.3 -29.6 -99.0 -28.5 26.7 23.7 -5.4 53 53 A A E - B 0 66A 28 13,-1.1 13,-2.4 -24,-0.1 -1,-0.5 -0.897 55.3-147.3 179.1 152.1 24.2 21.0 -6.0 54 54 A S E - B 0 65A 35 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.852 20.2-175.8-125.2 162.9 20.7 20.0 -5.0 55 55 A F E - B 0 64A 14 9,-2.4 9,-2.3 -2,-0.3 2,-0.4 -0.992 13.0-162.7-160.8 153.9 19.3 16.5 -4.6 56 56 A T E - B 0 63A 60 -2,-0.3 2,-1.1 7,-0.2 7,-0.2 -0.996 18.1-140.7-145.0 136.0 16.2 14.5 -3.9 57 57 A G >> - 0 0 2 5,-1.9 4,-2.7 -2,-0.4 3,-2.3 -0.788 17.0-166.7 -96.5 95.1 15.6 10.9 -2.8 58 58 A S T 34 S+ 0 0 107 -2,-1.1 -1,-0.2 1,-0.3 3,-0.1 0.894 84.7 52.6 -46.2 -52.3 12.5 9.9 -4.9 59 59 A K T 34 S+ 0 0 155 1,-0.2 -1,-0.3 -3,-0.1 55,-0.1 0.568 124.3 26.2 -64.7 -7.4 11.8 6.8 -2.8 60 60 A T T <4 S- 0 0 56 -3,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.597 94.5-121.9-134.6 -13.2 11.9 8.7 0.4 61 61 A G < + 0 0 46 -4,-2.7 -3,-0.1 1,-0.3 -2,-0.1 0.227 61.5 141.5 88.2 -16.6 10.9 12.4 -0.1 62 62 A I + 0 0 12 -5,-0.4 -5,-1.9 -6,-0.1 2,-0.3 -0.181 24.4 175.4 -55.8 155.6 14.2 13.7 1.4 63 63 A G E +B 56 0A 0 17,-0.3 17,-2.2 -7,-0.2 2,-0.3 -0.968 4.7 151.7-158.8 153.8 15.6 16.7 -0.4 64 64 A G E -BC 55 79A 0 -9,-2.3 -9,-2.4 -38,-0.3 2,-0.3 -0.987 21.4-146.7-174.6 173.3 18.5 18.9 0.2 65 65 A Y E -BC 54 78A 0 13,-1.9 13,-2.6 -2,-0.3 2,-0.5 -0.982 13.3-135.3-152.8 160.3 21.2 21.3 -1.1 66 66 A V E +BC 53 77A 0 -13,-2.4 -14,-3.9 -2,-0.3 -13,-1.1 -0.984 30.8 178.8-121.1 121.3 24.7 22.4 -0.6 67 67 A A E -BC 51 76A 1 9,-2.4 9,-2.1 -2,-0.5 2,-0.4 -0.850 21.2-138.5-124.3 161.0 25.4 26.1 -0.8 68 68 A T E -BC 50 75A 17 -18,-2.0 -18,-1.9 -2,-0.3 7,-0.2 -0.937 9.2-149.6-118.3 140.6 28.4 28.4 -0.4 69 69 A D E >> - C 0 74A 1 5,-2.3 4,-2.7 -2,-0.4 5,-0.7 -0.865 8.1-171.9-114.4 96.5 28.2 31.8 1.4 70 70 A P T 45S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -23,-0.0 0.825 91.1 45.3 -54.8 -31.8 30.7 34.3 -0.0 71 71 A T T 45S+ 0 0 93 1,-0.1 -2,-0.1 -3,-0.1 -24,-0.0 0.934 120.5 34.7 -78.1 -51.6 29.9 36.6 2.9 72 72 A R T 45S- 0 0 68 2,-0.1 -1,-0.1 64,-0.0 3,-0.1 0.654 98.3-133.7 -79.6 -14.8 30.0 34.1 5.8 73 73 A K T <5 + 0 0 121 -4,-2.7 64,-1.2 1,-0.2 2,-0.3 0.996 64.1 116.6 57.3 62.6 32.8 32.1 4.2 74 74 A E E < -Cd 69 137A 0 -5,-0.7 -5,-2.3 62,-0.3 2,-0.5 -0.975 61.5-131.6-154.4 164.7 31.1 28.8 5.0 75 75 A I E -Cd 68 138A 0 62,-2.9 64,-2.3 -2,-0.3 2,-0.4 -0.985 25.6-165.6-123.5 119.2 29.5 25.8 3.3 76 76 A V E -Cd 67 139A 1 -9,-2.1 -9,-2.4 -2,-0.5 2,-0.6 -0.855 12.7-157.3-111.3 144.8 26.0 24.7 4.4 77 77 A V E -Cd 66 140A 0 62,-2.4 64,-2.1 -2,-0.4 2,-0.5 -0.946 19.6-169.1-116.7 105.3 24.2 21.4 3.8 78 78 A S E -Cd 65 141A 0 -13,-2.6 -13,-1.9 -2,-0.6 2,-0.4 -0.855 8.2-169.1-105.5 128.6 20.4 21.9 4.1 79 79 A F E -Cd 64 142A 0 62,-1.3 64,-0.6 -2,-0.5 -15,-0.3 -0.904 21.8-125.2-112.7 139.7 17.9 19.1 4.2 80 80 A R - 0 0 62 -17,-2.2 -17,-0.3 -2,-0.4 69,-0.1 -0.573 17.7-139.8 -87.9 146.2 14.1 19.8 4.0 81 81 A G - 0 0 11 -2,-0.2 2,-0.4 -62,-0.2 63,-0.1 0.246 44.9 -53.4 -79.5-154.4 11.5 18.7 6.5 82 82 A S > - 0 0 31 1,-0.1 3,-0.6 61,-0.1 -1,-0.2 -0.751 29.4-157.7 -92.2 131.2 8.0 17.3 5.9 83 83 A I T 3 S+ 0 0 146 -2,-0.4 2,-0.1 1,-0.3 -1,-0.1 0.613 100.2 40.3 -77.3 -14.1 5.6 19.3 3.8 84 84 A N T 3> S+ 0 0 82 1,-0.1 4,-1.4 2,-0.0 3,-0.3 -0.584 70.1 155.4-134.5 70.9 3.0 17.3 5.6 85 85 A I H <> S+ 0 0 13 -3,-0.6 4,-2.3 1,-0.2 5,-0.2 0.883 71.4 57.4 -68.2 -43.6 4.0 17.1 9.3 86 86 A R H > S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.806 107.8 54.2 -58.8 -23.4 0.7 16.6 11.0 87 87 A N H > S+ 0 0 63 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.947 104.4 51.9 -71.8 -48.8 0.5 13.6 8.7 88 88 A W H X>S+ 0 0 29 -4,-1.4 4,-0.6 1,-0.2 5,-0.6 0.869 107.6 53.8 -55.0 -39.9 3.8 12.2 9.9 89 89 A L H ><5S+ 0 0 3 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.916 104.4 53.2 -65.0 -41.2 2.6 12.5 13.5 90 90 A T H 3<5S+ 0 0 9 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.781 106.2 54.6 -65.7 -24.9 -0.5 10.5 12.8 91 91 A N H 3<5S- 0 0 102 -4,-1.3 -1,-0.2 -3,-0.3 3,-0.2 0.585 95.1-143.7 -84.4 -11.4 1.5 7.6 11.3 92 92 A L T <<5 - 0 0 35 -3,-1.1 2,-1.3 -4,-0.6 3,-0.2 0.930 13.4-160.0 45.3 65.9 3.8 7.3 14.4 93 93 A D < + 0 0 53 -5,-0.6 -1,-0.2 1,-0.2 -2,-0.0 -0.613 40.3 133.6 -77.0 92.6 7.0 6.5 12.5 94 94 A F + 0 0 3 -2,-1.3 -1,-0.2 -3,-0.2 116,-0.1 0.571 18.1 126.0-119.3 -14.9 9.1 4.8 15.3 95 95 A D - 0 0 82 -3,-0.2 14,-1.6 13,-0.1 2,-0.5 -0.176 45.2-154.9 -49.2 131.0 10.6 1.7 13.9 96 96 A Q E -I 108 0B 2 496,-2.4 12,-0.3 12,-0.3 499,-0.2 -0.953 7.1-161.0-121.6 129.1 14.4 1.7 14.4 97 97 A D E -I 107 0B 11 10,-1.6 10,-2.4 -2,-0.5 2,-0.3 -0.154 33.7 -83.3 -86.3-175.1 17.0 -0.1 12.4 98 98 A D E -I 106 0B 45 497,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.649 40.5-158.6 -91.7 150.1 20.6 -0.9 13.2 99 99 A c - 0 0 15 6,-2.5 6,-0.5 -2,-0.3 3,-0.2 -0.955 15.6-152.1-130.0 148.7 23.3 1.6 12.8 100 100 A S S S+ 0 0 22 -2,-0.3 918,-0.3 913,-0.2 3,-0.1 -0.211 70.6 96.4-113.8 42.1 27.1 1.1 12.4 101 101 A L S S+ 0 0 21 1,-0.3 2,-0.3 916,-0.1 -1,-0.1 0.772 96.9 1.1 -95.7 -34.2 28.4 4.4 13.8 102 102 A T S > S- 0 0 52 -3,-0.2 3,-1.6 0, 0.0 -1,-0.3 -0.936 96.9 -68.7-147.1 166.0 29.1 3.1 17.3 103 103 A S T 3 S+ 0 0 103 -2,-0.3 -3,-0.1 1,-0.3 75,-0.0 -0.321 120.1 2.6 -58.0 140.4 28.9 -0.2 19.1 104 104 A G T 3 S+ 0 0 47 1,-0.2 2,-0.3 493,-0.1 74,-0.3 0.762 91.8 172.3 51.5 32.7 25.2 -1.1 19.7 105 105 A c < - 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