==== 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 1KS5 . 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) . 9784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 76.2 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 . 108 48.4 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 . 26 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.6 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 2 0 1 1 2 2 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 0 1 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 0 126 0, 0.0 34,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 132.7 106.6 88.1 -22.3 2 2 A T E -A 34 0A 99 32,-0.2 2,-0.5 30,-0.0 32,-0.2 -0.965 360.0-173.5-113.6 121.2 106.2 85.9 -19.2 3 3 A M E +A 33 0A 12 30,-2.8 30,-2.8 -2,-0.5 5,-0.1 -0.953 22.9 148.7-122.5 116.3 104.2 87.5 -16.4 4 4 A a + 0 0 64 -2,-0.5 27,-0.3 28,-0.2 -1,-0.1 0.425 44.4 95.0-123.5 -3.1 103.9 85.8 -13.0 5 5 A S S S- 0 0 61 1,-0.1 3,-0.2 2,-0.0 16,-0.2 -0.182 91.5 -89.4 -80.1-177.1 103.5 88.6 -10.5 6 6 A Q S S+ 0 0 50 1,-0.2 15,-2.7 14,-0.1 2,-0.4 0.891 108.9 17.1 -63.0 -44.3 100.1 89.9 -9.3 7 7 A Y E S+F 20 0B 132 13,-0.2 2,-0.3 14,-0.1 -1,-0.2 -0.959 74.1 147.2-136.4 116.5 99.4 92.5 -11.9 8 8 A D E -F 19 0B 49 11,-1.8 11,-2.8 -2,-0.4 2,-0.3 -0.990 19.3-167.4-145.8 152.1 101.2 92.8 -15.2 9 9 A S E -F 18 0B 85 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.994 8.3-168.6-142.6 146.6 100.3 93.9 -18.7 10 10 A A E -F 17 0B 11 7,-2.0 7,-2.5 -2,-0.3 2,-0.3 -0.991 23.3-173.8-129.6 135.1 101.9 93.7 -22.2 11 11 A S E +F 16 0B 86 -2,-0.4 5,-0.2 5,-0.2 29,-0.1 -0.974 34.3 177.9-141.6 155.0 100.4 95.7 -24.9 12 12 A S E > -F 15 0B 38 3,-2.8 3,-2.1 -2,-0.3 30,-0.2 -0.768 66.6 -75.9-147.1 87.6 100.5 96.5 -28.6 13 13 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 53,-0.0 0.062 118.2 13.7 -32.4 130.2 97.8 99.1 -29.2 14 14 A P T 3 S+ 0 0 48 0, 0.0 53,-2.0 0, 0.0 2,-0.2 -0.983 122.8 65.3 -90.3 7.2 94.9 98.5 -29.2 15 15 A Y E < +FG 12 66B 18 -3,-2.1 -3,-2.8 51,-0.2 2,-0.3 -0.545 52.7 177.9 -93.0 153.6 95.5 95.0 -27.7 16 16 A S E -FG 11 65B 24 49,-1.8 49,-2.0 -5,-0.2 2,-0.5 -0.982 20.9-148.2-147.6 153.5 96.8 93.9 -24.3 17 17 A V E -FG 10 64B 0 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -0.999 26.6-161.5-123.4 126.1 97.4 90.7 -22.4 18 18 A N E -FG 9 63B 20 45,-4.0 45,-2.3 -2,-0.5 2,-0.5 -0.946 21.1-154.7-124.1 131.9 97.0 91.0 -18.7 19 19 A Q E +F 8 0B 3 -11,-2.8 -11,-1.8 -2,-0.4 2,-0.3 -0.860 26.6 173.3 -93.9 124.8 98.1 88.9 -15.7 20 20 A N E +F 7 0B 33 -2,-0.5 41,-2.3 -13,-0.2 2,-0.6 -0.701 18.0 165.6-144.0 88.4 95.5 89.7 -12.9 21 21 A L > + 0 0 2 -15,-2.7 3,-1.9 -2,-0.3 4,-0.2 -0.374 20.4 149.4 -95.9 52.7 95.7 87.7 -9.7 22 22 A W T 3 S+ 0 0 114 -2,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.768 73.2 45.5 -60.5 -26.5 93.4 90.0 -7.8 23 23 A G T > S+ 0 0 3 36,-1.6 3,-1.9 -3,-0.3 -1,-0.3 0.171 77.4 120.1-102.5 19.7 92.1 87.3 -5.5 24 24 A E G X + 0 0 56 -3,-1.9 3,-1.4 35,-0.3 -1,-0.2 0.810 66.4 58.4 -50.1 -43.0 95.5 85.8 -4.9 25 25 A Y G 3 S+ 0 0 204 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.550 90.5 73.0 -70.8 -6.6 95.4 86.2 -1.1 26 26 A Q G < S- 0 0 92 -3,-1.9 -1,-0.3 32,-0.1 2,-0.2 0.460 111.7 -0.3 -86.0 -1.6 92.2 84.1 -0.8 27 27 A G S < S- 0 0 22 -3,-1.4 2,-0.4 -4,-0.2 26,-0.2 -0.843 77.3 -88.3-160.2-163.5 94.2 80.9 -1.5 28 28 A T E + B 0 52A 111 24,-2.5 24,-2.2 -2,-0.2 2,-0.3 -0.992 65.4 74.5-129.6 134.2 97.5 79.2 -2.3 29 29 A G E - B 0 51A 36 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.991 58.5 -99.8 161.6-164.4 99.0 78.6 -5.7 30 30 A S E + B 0 50A 77 20,-1.8 20,-2.0 -2,-0.3 2,-0.3 -0.986 23.6 179.6-152.0 156.4 100.8 80.1 -8.7 31 31 A Q E - B 0 49A 4 -27,-0.3 2,-0.3 -2,-0.3 18,-0.2 -0.947 3.5-173.3-162.7 137.7 99.9 81.4 -12.1 32 32 A a E - B 0 48A 22 16,-1.6 16,-1.5 -2,-0.3 2,-0.4 -0.963 16.0-142.1-131.7 150.8 101.8 82.9 -15.1 33 33 A V E -AB 3 47A 0 -30,-2.8 -30,-2.8 -2,-0.3 2,-0.5 -0.934 14.7-157.9-112.7 136.3 100.6 84.4 -18.4 34 34 A Y E -AB 2 46A 64 12,-3.3 12,-2.2 -2,-0.4 2,-0.6 -0.971 10.2-141.4-118.5 124.3 102.6 83.7 -21.5 35 35 A V E + B 0 45A 17 -34,-2.4 10,-0.2 -2,-0.5 3,-0.1 -0.745 23.1 173.5 -84.8 121.7 102.3 86.0 -24.5 36 36 A D E S- 0 0 82 8,-2.3 2,-0.3 -2,-0.6 9,-0.2 0.852 71.6 -7.5 -94.2 -44.6 102.5 83.9 -27.7 37 37 A K E + B 0 44A 139 7,-2.3 7,-2.6 2,-0.0 2,-0.4 -0.893 65.3 174.9-156.5 120.7 101.8 86.6 -30.3 38 38 A L E + B 0 43A 31 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.980 18.6 135.1-133.6 121.9 100.7 90.2 -29.6 39 39 A S E > - B 0 42A 38 3,-2.0 3,-1.3 -2,-0.4 -24,-0.2 -0.873 68.9 -82.9-149.5-179.1 100.2 92.8 -32.3 40 40 A S T 3 S+ 0 0 74 -2,-0.3 3,-0.1 1,-0.2 -28,-0.0 0.592 124.3 55.8 -68.5 -8.5 97.8 95.5 -33.4 41 41 A S T 3 S- 0 0 92 1,-0.3 2,-0.3 178,-0.0 -1,-0.2 0.467 119.8 -42.8-104.3 -2.5 95.8 92.8 -35.2 42 42 A G E < -B 39 0A 4 -3,-1.3 -3,-2.0 -30,-0.2 2,-0.4 -0.875 51.7 -99.3 157.7 170.0 95.1 90.4 -32.3 43 43 A A E -BC 38 218A 0 175,-2.0 175,-0.8 -2,-0.3 2,-0.4 -0.957 19.4-177.4-126.8 140.2 96.3 88.5 -29.3 44 44 A S E +B 37 0A 19 -7,-2.6 -7,-2.3 -2,-0.4 -8,-2.3 -0.998 27.4 137.2-132.7 125.8 97.5 85.0 -28.7 45 45 A W E -BC 35 215A 0 170,-1.5 170,-3.5 -2,-0.4 2,-0.3 -0.969 30.8-151.6-159.2 170.0 98.4 83.8 -25.2 46 46 A H E -BC 34 214A 49 -12,-2.2 -12,-3.3 -2,-0.3 2,-0.4 -0.975 5.4-155.3-147.7 160.5 98.2 81.1 -22.7 47 47 A T E -BC 33 213A 0 166,-2.5 166,-2.7 -2,-0.3 2,-0.4 -1.000 2.4-157.9-141.6 138.4 98.2 80.7 -18.9 48 48 A E E +BC 32 212A 93 -16,-1.5 -16,-1.6 -2,-0.4 2,-0.3 -0.961 25.4 169.3-115.5 133.6 99.1 77.9 -16.6 49 49 A W E -BC 31 211A 2 162,-2.4 162,-2.1 -2,-0.4 2,-0.3 -0.986 27.8-171.8-148.1 157.1 97.7 77.8 -13.1 50 50 A T E +B 30 0A 46 -20,-2.0 -20,-1.8 -2,-0.3 2,-0.4 -0.960 19.2 174.0-146.2 122.9 97.2 75.9 -9.9 51 51 A W E +BC 29 208A 3 157,-2.6 157,-2.8 -2,-0.3 2,-0.3 -0.998 6.3 179.3-136.9 140.2 95.0 77.2 -7.0 52 52 A S E +B 28 0A 71 -24,-2.2 -24,-2.5 -2,-0.4 -2,-0.0 -0.951 46.2 28.1-134.9 153.2 93.8 75.7 -3.7 53 53 A G S S+ 0 0 44 -2,-0.3 4,-0.2 -26,-0.2 3,-0.1 0.030 79.6 70.6 84.7 165.2 91.7 77.0 -0.9 54 54 A G S > S- 0 0 33 1,-0.1 3,-2.1 2,-0.1 -28,-0.1 0.943 72.0-152.2 52.7 55.0 88.9 79.6 -0.8 55 55 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.279 76.9 21.7 -57.4 139.2 86.4 77.4 -2.7 56 56 A G T 3 S+ 0 0 45 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.359 101.7 105.8 84.6 -7.7 83.9 79.5 -4.6 57 57 A T S < S- 0 0 42 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 -0.905 72.2-120.6-110.6 134.8 86.1 82.6 -4.7 58 58 A V - 0 0 19 -2,-0.4 148,-0.2 1,-0.2 -32,-0.1 -0.531 21.7-173.6 -74.4 130.9 87.9 83.7 -7.9 59 59 A K - 0 0 0 146,-3.1 -36,-1.6 -2,-0.3 -35,-0.3 0.756 65.4 -5.9 -92.4 -30.8 91.7 83.9 -7.6 60 60 A S E - H 0 205B 0 145,-1.1 145,-1.5 -38,-0.2 -1,-0.3 -0.985 38.6-156.8-159.4 166.7 92.4 85.4 -10.9 61 61 A Y E - H 0 204B 6 -41,-2.3 143,-0.2 -2,-0.3 2,-0.2 -0.539 22.1-175.0-149.1 72.0 91.1 86.6 -14.3 62 62 A S E + H 0 203B 0 141,-0.7 141,-1.5 -43,-0.1 2,-0.3 -0.500 26.0 153.3 -67.2 142.5 94.0 86.6 -16.7 63 63 A N E -GH 18 202B 1 -45,-2.3 -45,-4.0 139,-0.2 2,-0.4 -0.951 47.0-116.1-161.7 174.3 92.8 88.1 -19.9 64 64 A S E -GH 17 201B 0 137,-2.3 137,-2.1 -2,-0.3 2,-0.3 -0.947 37.1-173.6-120.2 142.7 93.4 90.0 -23.1 65 65 A G E -GH 16 200B 3 -49,-2.0 -49,-1.8 -2,-0.4 2,-0.4 -0.815 16.6-140.0-131.6 174.9 91.7 93.4 -23.6 66 66 A V E -G 15 0B 10 133,-1.4 133,-0.4 -2,-0.3 2,-0.3 -0.998 13.3-137.2-138.7 140.0 91.2 96.0 -26.2 67 67 A T + 0 0 99 -53,-2.0 2,-0.3 -2,-0.4 155,-0.2 -0.716 34.3 155.5 -94.9 149.1 91.2 99.8 -25.9 68 68 A F - 0 0 32 -2,-0.3 2,-0.7 129,-0.1 155,-0.1 -0.975 51.6 -73.0-163.1 167.4 88.6 101.9 -27.7 69 69 A N - 0 0 149 153,-0.3 127,-0.1 -2,-0.3 2,-0.1 -0.614 54.2-128.0 -73.9 112.9 86.8 105.2 -27.6 70 70 A K + 0 0 91 -2,-0.7 2,-0.3 127,-0.1 127,-0.1 -0.380 43.1 158.4 -63.5 135.6 84.3 104.9 -24.7 71 71 A K E -I 196 0B 62 125,-0.7 125,-2.7 -2,-0.1 5,-0.1 -0.968 46.1 -70.5-154.5 167.4 80.8 105.8 -25.7 72 72 A L E > -I 195 0B 35 -2,-0.3 3,-1.7 123,-0.3 4,-0.4 -0.357 40.5-129.3 -61.2 137.1 77.1 105.4 -24.8 73 73 A V G > S+ 0 0 5 121,-2.8 3,-1.7 118,-0.5 119,-0.2 0.887 111.1 58.9 -57.0 -38.0 75.9 101.9 -25.4 74 74 A S G 3 S+ 0 0 62 117,-1.8 -1,-0.3 120,-0.3 118,-0.1 0.707 104.9 51.8 -64.4 -18.0 73.0 103.4 -27.4 75 75 A D G < S+ 0 0 97 -3,-1.7 2,-0.4 116,-0.3 -1,-0.3 0.423 83.5 110.7 -97.4 -1.6 75.6 104.9 -29.7 76 76 A V < - 0 0 10 -3,-1.7 3,-0.1 -4,-0.4 -3,-0.0 -0.632 46.1-170.2 -79.4 128.6 77.5 101.7 -30.3 77 77 A S - 0 0 90 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.886 64.5 -25.3 -83.0 -45.8 77.2 100.4 -33.9 78 78 A S - 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