==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-NOV-01 1GPI . COMPND 2 MOLECULE: EXOGLUCANASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR I.G.MUNOZ,S.L.MOWBRAY,J.STAHLBERG . 431 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 27.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 . 41 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 1 0 2 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 . 1 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 5 3 3 3 1 3 1 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 . 5 1 1 0 0 0 1 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 X 0 0 1 0, 0.0 158,-2.2 0, 0.0 159,-0.6 0.000 360.0 360.0 360.0 147.3 67.5 18.6 39.9 2 2 A Q E -a 72 0A 52 69,-2.9 71,-2.4 66,-0.3 2,-0.6 -0.359 360.0-106.2 -78.7 167.5 68.9 15.3 40.9 3 3 A A E -a 73 0A 46 69,-0.2 71,-0.2 156,-0.2 2,-0.1 -0.861 36.2-141.1 -97.4 118.3 67.6 11.9 39.5 4 4 A G - 0 0 5 69,-3.3 40,-0.1 -2,-0.6 69,-0.1 -0.414 15.4-165.0 -77.6 158.4 65.6 10.0 42.1 5 5 A T + 0 0 128 39,-0.1 3,-0.2 -2,-0.1 -1,-0.1 0.247 65.7 92.2-126.9 7.4 65.7 6.3 42.6 6 6 A N S S+ 0 0 46 1,-0.2 2,-0.4 40,-0.1 68,-0.1 0.772 95.4 31.5 -74.2 -28.7 62.6 5.6 44.8 7 7 A T S S- 0 0 54 70,-0.0 68,-1.1 2,-0.0 -1,-0.2 -0.970 87.0-121.1-136.3 118.7 60.3 4.9 41.8 8 8 A A - 0 0 76 -2,-0.4 2,-0.7 -3,-0.2 68,-0.1 -0.264 23.5-134.3 -56.7 140.2 61.5 3.4 38.5 9 9 A E + 0 0 15 66,-0.2 2,-0.6 68,-0.1 -1,-0.1 -0.902 28.4 175.0-101.9 105.6 60.8 5.7 35.5 10 10 A N - 0 0 127 -2,-0.7 68,-0.2 66,-0.4 66,-0.1 -0.963 21.7-144.7-116.8 107.1 59.3 3.6 32.7 11 11 A H - 0 0 10 -2,-0.6 22,-0.2 1,-0.1 -2,-0.0 -0.617 20.5-119.1 -73.0 124.0 58.2 5.8 29.7 12 12 A P - 0 0 26 0, 0.0 20,-2.5 0, 0.0 2,-0.3 -0.341 31.4-113.8 -59.3 145.2 55.1 4.6 27.9 13 13 A Q B +D 31 0B 84 18,-0.2 75,-0.5 73,-0.2 18,-0.3 -0.657 35.3 175.5 -82.7 141.0 55.6 3.7 24.3 14 14 A L - 0 0 0 16,-2.4 75,-0.2 -2,-0.3 16,-0.2 -0.781 20.6-148.8-145.4 92.5 54.0 5.8 21.7 15 15 A Q - 0 0 83 73,-3.4 403,-0.5 -2,-0.3 2,-0.2 -0.336 16.5-174.2 -65.5 140.8 55.0 4.8 18.2 16 16 A S E -K 28 0C 2 12,-1.7 12,-2.9 401,-0.1 2,-0.4 -0.771 17.8-124.3-123.5 176.1 55.2 7.4 15.5 17 17 A Q E -Kl 27 419C 50 401,-1.6 403,-2.2 10,-0.3 2,-0.5 -0.992 7.6-155.5-127.5 134.6 55.8 7.2 11.7 18 18 A Q E -Kl 26 420C 78 8,-2.6 8,-2.4 -2,-0.4 2,-0.4 -0.922 24.1-162.5-106.5 131.6 58.5 9.0 9.7 19 19 A a E -Kl 25 421C 2 401,-2.5 403,-1.6 -2,-0.5 2,-0.3 -0.886 16.2-175.6-124.4 141.3 57.4 9.4 6.0 20 20 A T E > -K 24 0C 58 4,-1.9 4,-2.0 -2,-0.4 401,-0.0 -0.958 34.9-118.9-129.4 150.2 59.1 10.1 2.7 21 21 A T T 4 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.963 113.1 34.0 -51.8 -48.7 57.6 10.6 -0.7 22 22 A S T 4 S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.832 127.0 36.4 -77.9 -33.5 59.4 7.7 -2.3 23 23 A G T 4 S- 0 0 43 1,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.546 91.3-144.1-101.1 -10.8 59.5 5.3 0.6 24 24 A G E < -K 20 0C 32 -4,-2.0 -4,-1.9 2,-0.0 2,-0.4 -0.453 47.0 -28.1 75.1-157.0 56.3 5.8 2.4 25 25 A a E -K 19 0C 44 -6,-0.2 -6,-0.2 -2,-0.1 396,-0.1 -0.794 52.3-174.3-106.3 139.4 55.9 5.6 6.1 26 26 A K E -K 18 0C 143 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.1 -0.978 28.6-108.2-130.8 141.1 58.0 3.7 8.6 27 27 A P E -K 17 0C 83 0, 0.0 2,-0.4 0, 0.0 -10,-0.3 -0.351 23.1-159.4 -70.1 148.3 57.5 3.2 12.3 28 28 A L E -K 16 0C 51 -12,-2.9 -12,-1.7 -2,-0.1 2,-1.6 -0.988 22.6-128.6-123.0 139.8 59.8 4.8 15.0 29 29 A S + 0 0 90 -2,-0.4 -14,-0.1 -14,-0.2 -12,-0.1 -0.289 48.7 163.0 -87.6 59.5 59.9 3.4 18.5 30 30 A T - 0 0 2 -2,-1.6 -16,-2.4 -16,-0.2 2,-0.2 -0.217 18.5-163.3 -76.0 164.1 59.2 6.7 20.2 31 31 A K E -DE 13 108B 36 77,-2.0 77,-3.3 -18,-0.3 2,-0.3 -0.780 13.5-121.2-134.3 176.6 58.1 7.0 23.8 32 32 A V E - E 0 107B 0 -20,-2.5 2,-0.4 75,-0.2 75,-0.2 -0.950 18.1-163.3-125.9 152.4 56.5 9.7 26.1 33 33 A V E - E 0 106B 0 73,-1.6 73,-2.1 -2,-0.3 2,-0.2 -0.998 23.1-116.2-134.0 138.3 57.7 11.3 29.3 34 34 A L E - E 0 105B 0 -2,-0.4 71,-0.3 71,-0.2 5,-0.1 -0.421 39.2-104.8 -71.8 135.8 55.9 13.3 32.0 35 35 A D > - 0 0 0 69,-2.9 3,-1.7 -2,-0.2 4,-0.3 -0.271 27.3-117.6 -62.2 142.7 57.0 16.9 32.4 36 36 A S G > S+ 0 0 3 129,-2.5 3,-1.3 1,-0.3 130,-0.1 0.736 105.6 69.9 -59.2 -29.0 59.1 17.6 35.6 37 37 A N G 3 S+ 0 0 25 128,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.732 97.9 50.9 -61.3 -27.1 56.5 20.0 37.2 38 38 A W G < S+ 0 0 57 -3,-1.7 -1,-0.2 66,-0.2 -2,-0.2 0.548 95.2 99.8 -84.9 -11.3 54.1 17.2 37.8 39 39 A R S < S- 0 0 7 -3,-1.3 2,-0.3 -4,-0.3 36,-0.1 -0.324 81.0-100.0 -83.5 157.2 56.6 14.9 39.6 40 40 A W - 0 0 72 35,-0.3 34,-1.7 34,-0.2 2,-0.5 -0.589 35.7-161.2 -59.9 133.3 57.4 14.1 43.1 41 41 A V E +B 73 0A 4 10,-0.4 9,-3.0 -2,-0.3 10,-1.1 -0.987 22.9 156.5-125.7 120.1 60.5 16.1 44.3 42 42 A H E -BC 72 49A 3 30,-2.3 30,-3.2 -2,-0.5 7,-0.2 -0.887 48.8 -68.4-140.7 165.2 62.2 14.8 47.4 43 43 A S E > -B 71 0A 10 5,-3.1 3,-1.7 -2,-0.3 28,-0.3 -0.342 44.4-128.4 -55.2 140.5 65.5 14.8 49.2 44 44 A T T 3 S+ 0 0 71 26,-2.3 -1,-0.2 1,-0.3 -39,-0.1 0.647 106.5 50.2 -65.8 -20.7 68.1 12.8 47.3 45 45 A S T 3 S- 0 0 117 25,-0.3 -1,-0.3 3,-0.1 2,-0.2 0.413 125.1 -18.2-103.3 8.5 69.0 10.8 50.3 46 46 A G S < S- 0 0 21 -3,-1.7 -40,-0.1 2,-0.2 -4,-0.1 -0.654 82.9 -62.4-168.9-139.4 65.4 9.8 51.2 47 47 A Y S S+ 0 0 151 -2,-0.2 2,-0.3 -5,-0.1 -3,-0.1 0.438 74.1 121.0-120.5 -3.8 61.7 10.4 51.0 48 48 A T - 0 0 88 1,-0.1 -5,-3.1 -6,-0.1 -2,-0.2 -0.457 64.7-116.7 -70.6 131.0 61.2 13.8 52.5 49 49 A N B -C 42 0A 52 -2,-0.3 -7,-0.3 -7,-0.2 11,-0.2 -0.268 19.8-165.0 -66.7 145.4 59.5 16.2 50.1 50 50 A b S S+ 0 0 0 -9,-3.0 7,-2.4 1,-0.3 2,-0.3 0.624 87.1 28.5 -93.1 -18.2 61.2 19.3 48.8 51 51 A Y E +T 56 0D 14 -10,-1.1 -10,-0.4 5,-0.3 2,-0.4 -0.985 67.4 176.1-144.4 130.7 57.9 20.6 47.6 52 52 A T E > -T 55 0D 93 3,-2.4 3,-1.8 -2,-0.3 2,-0.8 -0.989 64.6 -32.7-138.4 126.5 54.5 19.9 49.0 53 53 A G T 3 S- 0 0 34 -2,-0.4 3,-0.0 1,-0.3 141,-0.0 -0.521 127.3 -26.0 69.3-106.0 51.2 21.5 47.7 54 54 A N T 3 S+ 0 0 25 -2,-0.8 2,-0.4 2,-0.1 -1,-0.3 0.097 121.0 78.7-129.7 25.9 52.3 24.9 46.7 55 55 A E E < -T 52 0D 80 -3,-1.8 -3,-2.4 142,-0.1 2,-0.2 -0.989 65.0-132.8-137.2 147.0 55.4 25.5 48.8 56 56 A W E -T 51 0D 20 -2,-0.4 2,-0.8 -5,-0.2 -5,-0.3 -0.530 31.4-111.1 -88.3 154.6 59.0 24.5 48.9 57 57 A D > - 0 0 59 -7,-2.4 4,-2.4 -2,-0.2 -1,-0.0 -0.822 27.0-159.2 -82.5 112.9 60.7 23.3 52.1 58 58 A T T 4 S+ 0 0 114 -2,-0.8 -1,-0.1 1,-0.2 -8,-0.0 0.620 87.2 61.0 -77.5 -9.4 63.1 26.2 52.8 59 59 A S T 4 S+ 0 0 103 2,-0.2 -1,-0.2 1,-0.1 -9,-0.1 0.939 116.8 30.7 -74.3 -50.4 65.3 23.9 54.9 60 60 A L T 4 S+ 0 0 33 1,-0.2 10,-0.2 -11,-0.2 -2,-0.2 0.806 132.4 38.9 -77.4 -23.8 66.1 21.7 51.9 61 61 A c < + 0 0 4 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 -0.546 59.5 144.2-132.6 65.9 65.7 24.6 49.5 62 62 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.641 82.6 4.9 -75.6 -19.9 67.1 27.9 50.9 63 63 A D S > S- 0 0 64 -3,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.960 85.4-100.2-155.3 166.6 68.3 29.0 47.5 64 64 A G H > S+ 0 0 13 -2,-0.3 120,-2.3 1,-0.2 4,-1.7 0.808 117.5 46.6 -65.2 -36.5 67.9 27.6 44.0 65 65 A K H > S+ 0 0 144 118,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.894 113.9 47.2 -71.4 -46.0 71.3 25.9 43.7 66 66 A T H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.886 111.8 52.2 -61.1 -43.4 71.2 24.3 47.1 67 67 A c H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.933 109.1 49.3 -58.4 -46.8 67.6 23.0 46.4 68 68 A A H < S+ 0 0 2 -4,-1.7 -66,-0.3 1,-0.2 -1,-0.2 0.774 111.9 48.8 -63.7 -33.4 68.8 21.5 43.1 69 69 A A H < S+ 0 0 57 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.838 118.6 39.4 -70.0 -36.3 71.7 19.8 44.8 70 70 A N H < S+ 0 0 56 -4,-2.0 -26,-2.3 -10,-0.2 2,-0.4 0.621 107.8 70.9 -87.5 -15.7 69.4 18.4 47.6 71 71 A b E < - B 0 43A 0 -4,-1.7 -69,-2.9 -28,-0.3 2,-0.4 -0.894 56.4-163.2-124.1 141.5 66.4 17.5 45.6 72 72 A A E -aB 2 42A 0 -30,-3.2 -30,-2.3 -2,-0.4 2,-0.4 -0.904 16.9-136.1-123.8 140.1 65.5 14.8 43.2 73 73 A L E -aB 3 41A 2 -71,-2.4 -69,-3.3 -2,-0.4 2,-0.2 -0.757 34.3-158.1 -82.7 136.3 62.7 14.3 40.6 74 74 A D - 0 0 0 -34,-1.7 -34,-0.2 -2,-0.4 -66,-0.1 -0.637 20.3 -74.1-118.5 176.6 61.4 10.7 40.7 75 75 A G - 0 0 9 -68,-1.1 2,-0.4 -2,-0.2 -35,-0.3 -0.133 44.5-131.0 -67.4 160.9 59.6 8.2 38.6 76 76 A A - 0 0 12 -68,-0.1 2,-1.1 -37,-0.1 -66,-0.4 -0.929 12.0-137.4-120.8 139.6 55.9 8.4 37.8 77 77 A D >> - 0 0 92 -2,-0.4 4,-2.0 1,-0.2 5,-1.0 -0.815 31.2-165.0 -86.4 96.4 53.0 6.0 37.9 78 78 A Y H >5S+ 0 0 15 -2,-1.1 6,-2.4 -68,-0.2 4,-0.9 0.933 78.9 26.2 -58.2 -50.9 51.6 7.2 34.6 79 79 A S H >5S+ 0 0 65 4,-0.3 4,-1.5 3,-0.2 -1,-0.2 0.955 123.0 48.9 -78.6 -44.8 48.2 5.7 34.8 80 80 A G H 45S+ 0 0 46 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.880 127.0 21.4 -65.7 -43.0 47.6 5.5 38.6 81 81 A T H <5S+ 0 0 62 -4,-2.0 19,-0.2 3,-0.1 -1,-0.2 0.839 137.5 25.7 -95.1 -35.1 48.7 9.0 39.5 82 82 A Y H < -U 100 0E 30 3,-2.4 3,-2.6 -2,-0.5 2,-0.2 -0.927 68.0 -54.3-131.8 102.9 43.0 11.6 38.6 98 98 A G T 3 S- 0 0 71 -2,-0.4 -17,-0.1 1,-0.3 -16,-0.0 -0.446 122.4 -20.1 65.2-130.1 42.8 11.7 42.4 99 99 A S T 3 S+ 0 0 110 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.417 117.5 105.6 -90.3 2.5 44.2 15.1 43.5 100 100 A N E < -U 97 0E 21 -3,-2.6 -3,-2.4 -19,-0.2 2,-0.5 -0.684 53.7-160.8 -88.1 134.9 46.1 15.4 40.2 101 101 A V E -U 96 0E 36 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.958 50.2 -37.9-116.8 121.2 44.9 17.8 37.5 102 102 A G - 0 0 2 -7,-3.0 2,-0.3 -2,-0.5 262,-0.2 0.018 59.1-131.7 63.8-170.6 46.0 17.4 33.9 103 103 A S E - F 0 363B 0 260,-1.9 260,-2.0 -10,-0.1 2,-0.3 -0.960 7.7-150.3-168.8 161.9 49.3 16.4 32.5 104 104 A R E + F 0 362B 24 -2,-0.3 -69,-2.9 258,-0.2 2,-0.3 -0.967 19.5 178.3-141.9 131.4 52.0 17.3 29.9 105 105 A V E -EF 34 361B 0 256,-2.6 256,-2.6 -2,-0.3 2,-0.4 -0.911 16.6-141.2-128.7 159.9 54.3 14.7 28.2 106 106 A Y E -EF 33 360B 0 -73,-2.1 -73,-1.6 -2,-0.3 2,-0.3 -0.935 23.6-113.0-120.2 148.0 57.0 15.0 25.6 107 107 A L E -E 32 0B 0 252,-2.2 8,-2.5 -2,-0.4 2,-0.4 -0.580 36.2-154.6 -79.9 130.2 57.7 12.6 22.7 108 108 A M E -EG 31 114B 0 -77,-3.3 -77,-2.0 -2,-0.3 6,-0.3 -0.891 25.6-158.1-110.2 140.0 61.1 10.8 23.2 109 109 A A E S- 0 0 41 4,-1.8 2,-0.3 -2,-0.4 5,-0.2 0.805 87.9 -18.0 -72.2 -36.0 63.5 9.3 20.7 110 110 A D E > S- G 0 113B 65 3,-1.5 3,-1.4 -79,-0.1 -1,-0.2 -0.901 91.4 -71.4-158.6-179.6 64.9 7.1 23.5 111 111 A D T 3 S+ 0 0 69 -2,-0.3 3,-0.1 1,-0.3 -79,-0.0 0.667 129.5 33.1 -67.5 -10.2 64.9 7.1 27.3 112 112 A T T 3 S+ 0 0 72 1,-0.1 50,-0.4 50,-0.1 2,-0.4 0.266 112.6 61.3-126.7 12.0 67.3 10.0 27.6 113 113 A H E < -G 110 0B 78 -3,-1.4 -4,-1.8 49,-0.2 -3,-1.5 -0.982 67.7-132.9-142.2 131.1 66.4 12.2 24.6 114 114 A Y E -G 108 0B 3 34,-2.8 2,-0.4 -2,-0.4 -6,-0.3 -0.456 43.2-100.1 -62.4 146.9 63.4 14.0 23.4 115 115 A Q - 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