==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE BINDING DOMAIN 12-OCT-04 1W9F . COMPND 2 MOLECULE: NON CATALYTIC PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PIROMYCES EQUI; . AUTHOR J.FLINT,D.N.BOLAM,D.NURIZZO,E.J.TAYLOR,M.P.WILLIAMSON, . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 46.1 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 . 2 0.7 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 . 2 0.7 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 . 36 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 3.2 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+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 4 2 2 4 6 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 . 1 0 0 0 4 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 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 3 A V 0 0 199 0, 0.0 2,-0.9 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0 -7.6 94.2 49.7 5.5 2 4 A R - 0 0 231 130,-0.0 2,-0.1 131,-0.0 130,-0.1 -0.745 360.0-140.4 -73.8 111.2 94.0 48.6 9.2 3 5 A A - 0 0 31 -2,-0.9 2,-0.5 134,-0.1 128,-0.0 -0.509 10.1-137.1 -66.1 137.7 90.3 47.9 9.7 4 6 A T - 0 0 77 -2,-0.1 128,-1.9 2,-0.0 2,-0.5 -0.914 14.9-158.0 -95.4 129.9 89.1 49.0 13.0 5 7 A Y E -A 131 0A 64 -2,-0.5 2,-0.6 126,-0.2 126,-0.2 -0.934 4.5-166.5-105.7 124.5 86.8 46.6 14.8 6 8 A T E -A 130 0A 50 124,-3.2 124,-2.3 -2,-0.5 2,-0.8 -0.956 11.5-149.5-112.8 114.7 84.4 47.9 17.4 7 9 A V E +A 129 0A 62 -2,-0.6 122,-0.2 122,-0.2 3,-0.2 -0.778 16.5 179.8 -84.3 111.3 82.8 45.2 19.6 8 10 A I E - 0 0 4 120,-1.9 9,-0.3 -2,-0.8 2,-0.3 0.915 68.7 -22.2 -80.3 -49.3 79.4 46.6 20.6 9 11 A F E -A 128 0A 14 119,-1.7 119,-1.7 -3,-0.1 -1,-0.3 -0.938 46.1-175.7-154.0 151.0 78.5 43.5 22.6 10 12 A K S S+ 0 0 109 1,-0.6 117,-2.3 -2,-0.3 2,-0.4 0.779 87.1 3.2 -93.8 -87.8 79.5 39.9 22.8 11 13 A N S S- 0 0 109 115,-0.2 -1,-0.6 116,-0.1 2,-0.4 -0.841 83.4-142.4 -90.9 142.5 77.1 38.3 25.4 12 14 A A + 0 0 8 21,-2.6 21,-0.3 -2,-0.4 3,-0.1 -0.899 35.5 164.8-113.2 135.5 74.6 40.7 26.7 13 15 A S S S- 0 0 121 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.363 82.7 -21.2-111.0 -7.7 73.2 41.0 30.2 14 16 A G S S- 0 0 25 15,-0.1 -1,-0.3 21,-0.0 3,-0.1 -0.900 107.9 -26.5-175.5-167.5 71.7 44.5 29.5 15 17 A L S S- 0 0 73 -2,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.274 77.5 -96.8 -61.7 147.4 72.2 47.4 27.1 16 18 A P > - 0 0 9 0, 0.0 3,-1.7 0, 0.0 2,-0.2 -0.261 47.0 -95.7 -64.9 151.8 75.6 47.6 25.6 17 19 A N T 3 S+ 0 0 147 -9,-0.3 3,-0.1 1,-0.3 35,-0.0 -0.489 112.4 24.1 -73.3 136.2 78.0 50.0 27.3 18 20 A G T 3 S+ 0 0 36 1,-0.3 34,-2.9 -2,-0.2 35,-0.3 0.483 111.7 98.7 84.7 5.5 78.1 53.4 25.7 19 21 A Y E < -F 51 0B 26 -3,-1.7 2,-0.3 32,-0.2 -1,-0.3 -0.934 48.5-171.4-126.6 149.0 74.6 52.7 24.2 20 22 A D E -F 50 0B 73 30,-2.4 30,-2.6 -2,-0.3 2,-0.6 -0.824 29.6-118.8-120.1 165.0 71.0 53.5 24.9 21 23 A N E +F 49 0B 41 -2,-0.3 28,-0.2 28,-0.2 89,-0.0 -0.951 30.7 171.7-105.5 112.7 67.9 52.1 23.1 22 24 A W + 0 0 150 26,-2.7 27,-0.1 -2,-0.6 -1,-0.1 -0.029 44.4 111.6-105.0 23.4 65.9 54.8 21.4 23 25 A G - 0 0 24 25,-0.2 2,-0.3 27,-0.0 24,-0.2 0.026 55.3-135.9 -83.3-162.1 63.6 52.3 19.7 24 26 A W B +G 46 0B 114 22,-1.3 22,-2.6 20,-0.1 3,-0.1 -0.992 65.3 30.1-153.1 154.3 59.9 51.7 20.3 25 27 A G S S+ 0 0 26 -2,-0.3 15,-3.7 20,-0.2 20,-0.3 0.701 89.3 105.4 75.5 22.7 57.4 48.9 20.7 26 28 A C E -B 39 0A 34 13,-0.3 2,-0.3 20,-0.2 -1,-0.2 -0.948 55.4-147.1-137.8 155.2 59.6 46.3 22.2 27 29 A T E -B 38 0A 91 11,-1.8 11,-3.2 -2,-0.3 2,-0.4 -0.881 23.5-153.2-116.3 144.6 60.4 44.6 25.4 28 30 A L E +B 37 0A 43 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.983 19.8 163.6-128.6 131.8 63.9 43.5 26.0 29 31 A S E -B 36 0A 62 7,-2.1 7,-3.3 -2,-0.4 2,-0.4 -0.874 25.1-134.6-137.4 178.5 65.3 40.7 28.1 30 32 A Y E +B 35 0A 58 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.977 32.2 147.0-144.6 110.6 68.6 38.9 28.3 31 33 A Y E > +B 34 0A 195 3,-1.1 3,-2.1 -2,-0.4 -19,-0.1 -0.977 70.0 13.5-143.1 146.1 69.2 35.2 28.6 32 34 A G T 3 S- 0 0 55 -2,-0.3 3,-0.1 1,-0.3 -19,-0.1 0.680 128.4 -65.9 70.2 19.0 72.0 33.0 27.3 33 35 A G T 3 S+ 0 0 14 -21,-0.3 -21,-2.6 1,-0.3 2,-0.3 0.525 107.6 129.7 72.1 5.7 74.0 36.1 26.6 34 36 A A E < -B 31 0A 0 -3,-2.1 -3,-1.1 -23,-0.2 2,-0.7 -0.734 62.7-132.1 -89.8 141.6 71.4 37.1 24.0 35 37 A M E -BC 30 125A 0 90,-2.3 90,-1.9 -2,-0.3 2,-0.7 -0.833 30.5-158.4 -77.5 115.7 69.6 40.4 23.6 36 38 A I E -BC 29 124A 19 -7,-3.3 -7,-2.1 -2,-0.7 2,-0.5 -0.889 5.8-163.8-108.9 112.6 66.1 39.1 23.2 37 39 A I E -BC 28 123A 1 86,-3.1 86,-1.9 -2,-0.7 -9,-0.2 -0.849 5.4-170.4 -96.6 124.1 63.7 41.6 21.6 38 40 A N E -B 27 0A 47 -11,-3.2 -11,-1.8 -2,-0.5 84,-0.1 -0.885 13.7-155.0-116.2 97.6 60.0 41.1 21.9 39 41 A P E -B 26 0A 4 0, 0.0 2,-0.4 0, 0.0 -13,-0.3 -0.438 19.1-116.1 -67.2 138.4 58.2 43.4 19.6 40 42 A Q > > - 0 0 122 -15,-3.7 3,-2.0 -2,-0.1 5,-0.6 -0.692 38.3-106.1 -72.1 126.3 54.5 44.4 20.4 41 43 A E T 3 5S+ 0 0 152 -2,-0.4 78,-0.2 78,-0.3 -1,-0.1 -0.341 105.0 20.5 -51.6 124.9 52.2 43.2 17.8 42 44 A G T 3 5S+ 0 0 55 76,-3.6 -1,-0.3 -2,-0.1 77,-0.1 0.147 104.6 86.2 97.3 -17.0 51.0 46.1 15.6 43 45 A K T < 5S- 0 0 118 -3,-2.0 -2,-0.1 75,-0.3 76,-0.1 0.638 83.8-135.3 -89.4 -14.7 53.9 48.4 16.5 44 46 A Y T 5 - 0 0 120 -4,-0.4 -20,-0.1 74,-0.3 -3,-0.1 0.957 42.3-153.1 44.9 50.6 56.6 47.4 13.9 45 47 A G < - 0 0 0 -5,-0.6 70,-2.8 -20,-0.3 2,-0.3 -0.068 19.4-172.2 -54.4 149.2 58.8 47.6 17.0 46 48 A A E -GH 24 114B 0 -22,-2.6 -22,-1.3 68,-0.2 2,-0.5 -0.992 25.4-137.4-144.5 147.4 62.4 48.3 16.8 47 49 A V E - H 0 113B 0 66,-2.4 66,-2.4 -2,-0.3 2,-0.5 -0.935 20.3-165.8 -95.7 132.3 65.5 48.4 18.9 48 50 A S E - H 0 112B 4 -2,-0.5 -26,-2.7 64,-0.2 2,-0.9 -0.901 6.8-156.2-120.1 98.2 67.6 51.4 18.1 49 51 A L E -FH 21 111B 0 62,-2.8 62,-1.9 -2,-0.5 2,-0.4 -0.682 19.7-169.9 -79.4 105.9 71.0 51.0 19.6 50 52 A K E -FH 20 110B 28 -30,-2.6 -30,-2.4 -2,-0.9 60,-0.3 -0.849 19.2-124.0-114.7 122.1 72.2 54.6 19.9 51 53 A R E -F 19 0B 54 58,-3.2 -32,-0.2 -2,-0.4 3,-0.1 -0.408 9.5-138.8 -67.9 138.9 75.7 55.7 20.8 52 54 A N S S- 0 0 114 -34,-2.9 2,-0.3 1,-0.3 -1,-0.1 0.799 88.6 -5.1 -64.6 -33.6 76.1 58.0 23.8 53 55 A S S S+ 0 0 92 -35,-0.3 -1,-0.3 56,-0.1 2,-0.0 -0.958 110.4 25.8-155.3 152.4 78.7 59.9 21.7 54 56 A G - 0 0 44 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.2 -0.167 60.9-117.0 87.3 179.9 80.4 59.5 18.4 55 57 A S - 0 0 38 22,-0.0 2,-0.3 -2,-0.0 54,-0.2 -0.949 8.7-129.5-154.2 158.8 79.5 57.8 15.1 56 58 A F B -K 108 0C 12 52,-2.6 52,-2.4 -2,-0.3 2,-0.4 -0.722 20.5-145.8-106.6 167.4 80.6 55.1 12.8 57 59 A R - 0 0 158 -2,-0.3 48,-0.1 50,-0.2 45,-0.1 -0.997 49.0 -52.0-139.2 130.6 81.1 55.5 9.0 58 60 A G S S+ 0 0 20 46,-0.4 2,-0.1 48,-0.4 45,-0.1 -0.004 85.8 111.2 41.7-141.5 80.5 53.0 6.3 59 61 A G S S- 0 0 14 73,-0.4 43,-2.4 43,-0.1 2,-0.3 -0.469 70.8 -60.2 83.2-156.0 82.2 49.7 7.0 60 62 A S E -DE 101 131A 0 71,-2.5 71,-2.0 41,-0.2 2,-0.5 -0.916 30.7-138.7-130.0 156.6 80.4 46.5 7.9 61 63 A L E -DE 100 130A 0 39,-2.7 39,-2.1 -2,-0.3 2,-0.4 -0.987 20.4-171.6-118.4 119.9 78.0 45.2 10.6 62 64 A R E +DE 99 129A 7 67,-3.4 67,-3.0 -2,-0.5 2,-0.3 -0.922 20.3 137.7-109.3 141.0 78.7 41.7 12.0 63 65 A F E -D 98 0A 1 35,-1.8 35,-2.3 -2,-0.4 2,-0.4 -0.942 46.2-116.2-173.8 150.7 76.3 40.0 14.4 64 66 A D E -DE 97 126A 21 62,-3.1 62,-1.9 -2,-0.3 2,-0.4 -0.848 37.9-178.8 -92.0 139.8 74.6 36.6 15.2 65 67 A M E -DE 96 125A 0 31,-2.6 31,-2.0 -2,-0.4 2,-0.4 -0.997 24.6-177.0-141.5 136.7 70.8 36.4 14.9 66 68 A K E + E 0 124A 60 58,-1.6 58,-2.8 -2,-0.4 2,-0.3 -0.974 23.8 173.3-116.8 143.8 68.0 34.0 15.3 67 69 A N E -DE 92 123A 2 25,-2.2 25,-2.2 -2,-0.4 56,-0.2 -0.917 38.1-153.7-157.7 127.5 64.5 35.3 14.5 68 70 A E S S+ 0 0 94 54,-1.6 2,-0.3 -2,-0.3 55,-0.1 0.408 88.5 29.8 -75.2 -3.3 60.9 34.0 14.2 69 71 A G S S- 0 0 4 53,-0.4 2,-0.2 23,-0.1 23,-0.2 -0.887 102.1 -67.9-144.8 176.7 60.1 36.8 11.6 70 72 A K - 0 0 115 -2,-0.3 46,-1.0 20,-0.1 2,-0.5 -0.519 50.3-154.7 -70.8 139.6 61.6 39.0 9.0 71 73 A V E -IJ 89 115B 1 18,-2.1 18,-2.3 -2,-0.2 2,-0.4 -0.976 6.1-150.2-125.2 122.2 64.1 41.5 10.4 72 74 A K E -IJ 88 114B 60 42,-2.4 42,-2.8 -2,-0.5 2,-0.5 -0.764 8.6-157.0 -86.2 135.8 65.0 44.9 9.0 73 75 A I E +IJ 87 113B 0 14,-2.7 13,-2.9 -2,-0.4 14,-1.4 -0.956 23.3 163.6-109.8 126.5 68.5 46.2 9.7 74 76 A L E -IJ 85 112B 16 38,-1.7 38,-2.6 -2,-0.5 2,-0.3 -0.899 24.9-149.3-131.7 169.0 68.9 50.0 9.5 75 77 A V E -IJ 84 111B 0 9,-2.2 9,-1.7 -2,-0.3 2,-0.4 -0.943 16.9-158.4-134.7 156.4 71.4 52.7 10.5 76 78 A E E -IJ 83 110B 24 34,-2.2 33,-1.7 -2,-0.3 34,-1.4 -0.996 24.7-149.8-140.6 142.3 70.7 56.3 11.4 77 79 A N E > -I 82 0B 22 5,-2.5 5,-2.1 -2,-0.4 31,-0.1 -0.963 21.1-164.7 -99.4 116.6 72.3 59.7 11.6 78 80 A S T 5S+ 0 0 36 -2,-0.6 3,-0.2 3,-0.2 -1,-0.1 0.744 84.0 54.6 -84.0 -21.5 70.1 61.3 14.4 79 81 A E T 5S+ 0 0 171 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.934 114.6 39.4 -67.7 -48.2 71.3 64.8 13.7 80 82 A A T 5S- 0 0 49 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.412 105.7-132.2 -76.5 3.1 70.3 64.6 10.0 81 83 A D T 5 + 0 0 120 -3,-0.2 2,-0.5 1,-0.2 -3,-0.2 0.838 57.6 150.9 35.2 47.9 67.2 62.7 11.1 82 84 A E E < -I 77 0B 96 -5,-2.1 -5,-2.5 2,-0.0 2,-0.3 -0.894 31.0-166.7-112.9 123.0 68.2 60.3 8.3 83 85 A K E -I 76 0B 96 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.707 2.7-167.5-102.9 159.6 67.5 56.5 8.3 84 86 A F E -I 75 0B 57 -9,-1.7 -9,-2.2 -2,-0.3 2,-0.3 -0.921 17.2-133.8-152.7 121.8 69.1 54.0 6.0 85 87 A E E +I 74 0B 89 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.581 20.4 178.1 -79.2 133.0 68.1 50.3 5.3 86 88 A V E - 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