==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE BINDING DOMAIN 19-MAR-02 1GWL . COMPND 2 MOLECULE: NON-CATALYTIC PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PIROMYCES EQUI; . AUTHOR S.J.CHARNOCK,D.NURIZZO,G.J.DAVIES . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 63.8 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 . 65 46.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 0.7 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 . 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 . 15 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 2 0 2 1 1 2 3 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 0 0 0 2 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 2 A N 0 0 196 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.3 14.4 -1.6 -11.7 2 3 A V + 0 0 120 2,-0.1 2,-0.1 132,-0.0 132,-0.0 0.431 360.0 121.8-110.0 -12.6 14.8 0.5 -8.5 3 4 A R - 0 0 219 1,-0.1 2,-0.2 131,-0.1 135,-0.0 -0.345 44.7-159.0 -67.8 136.5 11.0 0.8 -7.8 4 5 A A - 0 0 17 134,-0.1 2,-0.5 -2,-0.1 -2,-0.1 -0.616 20.6-117.2-106.6 165.3 9.7 -0.4 -4.5 5 6 A T - 0 0 95 -2,-0.2 128,-1.6 2,-0.0 2,-0.6 -0.967 30.0-154.1-100.6 121.0 6.3 -1.4 -3.3 6 7 A Y E -A 132 0A 86 -2,-0.5 2,-0.6 126,-0.2 126,-0.2 -0.907 5.1-162.7-103.4 118.4 5.1 0.9 -0.5 7 8 A T E -A 131 0A 49 124,-2.7 124,-2.4 -2,-0.6 2,-0.7 -0.891 9.8-148.5-104.3 113.7 2.6 -0.5 2.1 8 9 A V E +A 130 0A 89 -2,-0.6 122,-0.2 122,-0.2 3,-0.1 -0.740 18.7 177.0 -83.1 113.3 0.8 2.2 4.2 9 10 A I E - 0 0 13 120,-2.3 2,-0.3 -2,-0.7 -1,-0.2 0.915 70.0 -18.9 -86.8 -49.3 0.1 0.6 7.6 10 11 A F E +A 129 0A 14 119,-1.6 119,-1.6 1,-0.1 -1,-0.3 -0.946 49.5 178.3-156.4 149.9 -1.4 3.7 9.0 11 12 A K S S+ 0 0 131 -2,-0.3 117,-2.2 1,-0.2 2,-0.8 0.771 89.7 8.0-101.4 -84.7 -1.4 7.4 8.3 12 13 A N S S- 0 0 107 115,-0.2 -1,-0.2 116,-0.1 2,-0.2 -0.846 85.3-151.6 -96.9 99.9 -3.6 9.1 10.8 13 14 A A + 0 0 5 21,-2.2 21,-0.5 -2,-0.8 19,-0.2 -0.529 35.6 156.0 -73.7 129.6 -4.5 6.3 13.3 14 15 A S S S- 0 0 113 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.189 81.5 -10.1-119.8 8.5 -7.9 6.4 15.3 15 16 A G S S- 0 0 29 15,-0.1 -1,-0.3 0, 0.0 15,-0.0 -0.930 105.0 -42.8-179.2-175.3 -7.8 2.6 15.9 16 17 A L - 0 0 80 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.1 -0.428 65.9 -98.0 -72.4 150.2 -5.9 -0.4 14.7 17 18 A P > - 0 0 15 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.303 49.2 -91.0 -59.4 145.8 -5.0 -0.8 11.0 18 19 A N T 3 S+ 0 0 169 1,-0.3 3,-0.1 -9,-0.2 0, 0.0 -0.362 114.1 19.0 -58.6 135.1 -7.2 -3.1 8.9 19 20 A G T 3 S+ 0 0 34 1,-0.2 34,-2.6 -3,-0.1 35,-0.4 0.586 104.8 105.8 74.5 15.6 -5.9 -6.7 9.0 20 21 A Y E < -F 52 0B 25 -3,-1.7 2,-0.3 32,-0.2 -1,-0.2 -0.953 48.5-163.2-123.1 144.1 -3.7 -6.2 12.1 21 22 A D E -F 51 0B 78 30,-2.3 30,-2.6 -2,-0.4 2,-0.7 -0.754 26.5-117.0-108.4 161.8 -4.2 -7.3 15.7 22 23 A N E +F 50 0B 61 -2,-0.3 28,-0.2 28,-0.2 -6,-0.0 -0.925 31.2 172.1-103.6 111.9 -2.3 -6.0 18.8 23 24 A W + 0 0 117 26,-2.9 27,-0.1 -2,-0.7 -1,-0.1 0.057 37.1 135.7 -99.3 21.8 -0.1 -8.6 20.4 24 25 A G - 0 0 26 25,-0.3 2,-0.3 1,-0.0 24,-0.2 -0.015 37.9-154.9 -65.9 169.8 1.4 -6.0 22.7 25 26 A W B +G 47 0B 97 22,-1.8 22,-2.2 20,-0.1 3,-0.1 -0.978 60.6 19.3-144.7 152.3 2.1 -6.4 26.5 26 27 A G S S+ 0 0 24 -2,-0.3 15,-2.4 20,-0.2 20,-0.4 0.702 102.3 80.5 62.3 24.7 2.4 -4.2 29.5 27 28 A C E -B 40 0A 36 13,-0.3 2,-0.4 20,-0.2 -1,-0.1 -0.970 69.4-123.3-151.4 167.0 0.8 -1.0 28.1 28 29 A T E -B 39 0A 93 11,-2.1 11,-2.6 -2,-0.3 2,-0.4 -0.963 27.1-147.5-109.9 132.2 -2.5 0.8 27.3 29 30 A L E +B 38 0A 42 -2,-0.4 2,-0.2 9,-0.2 9,-0.2 -0.860 28.2 154.4-101.6 132.2 -3.0 1.9 23.6 30 31 A S E -B 37 0A 54 7,-2.1 7,-3.3 -2,-0.4 2,-0.3 -0.841 27.8-129.9-142.7-178.2 -5.0 5.1 22.8 31 32 A Y E +B 36 0A 65 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.962 17.0 177.5-137.3 150.6 -5.2 7.7 20.0 32 33 A Y E > S-B 35 0A 188 3,-1.8 3,-1.9 -2,-0.3 -19,-0.1 -0.842 70.6 -22.7-157.7 122.2 -5.1 11.5 19.5 33 34 A G T 3 S- 0 0 64 1,-0.3 -19,-0.1 -2,-0.3 3,-0.1 0.722 129.9 -41.3 55.7 29.7 -5.2 13.7 16.4 34 35 A G T 3 S+ 0 0 11 -21,-0.5 -21,-2.2 1,-0.3 2,-0.4 0.396 112.4 117.4 101.3 -3.1 -4.0 10.9 14.2 35 36 A A E < -B 32 0A 1 -3,-1.9 -3,-1.8 -23,-0.2 2,-0.5 -0.814 60.5-135.9-100.9 138.3 -1.3 9.4 16.5 36 37 A M E -BC 31 126A 0 90,-2.6 90,-2.5 -2,-0.4 2,-0.5 -0.827 27.9-156.2 -82.8 124.6 -1.1 6.0 18.1 37 38 A I E -BC 30 125A 17 -7,-3.3 -7,-2.1 -2,-0.5 2,-0.5 -0.950 7.5-159.4-115.8 119.5 -0.1 6.5 21.8 38 39 A I E -BC 29 124A 0 86,-2.9 86,-1.7 -2,-0.5 -9,-0.2 -0.872 5.1-171.8 -97.5 122.2 1.6 3.8 23.8 39 40 A N E -B 28 0A 76 -11,-2.6 -11,-2.1 -2,-0.5 2,-0.2 -0.857 14.5-166.9-115.5 91.3 1.3 4.2 27.6 40 41 A P E -B 27 0A 4 0, 0.0 2,-0.4 0, 0.0 -13,-0.3 -0.518 19.6-118.7 -82.0 146.5 3.6 1.6 29.2 41 42 A Q > - 0 0 120 -15,-2.4 3,-1.9 -2,-0.2 5,-0.5 -0.688 35.7-101.9 -81.1 136.9 3.5 0.6 32.8 42 43 A E T 3 S+ 0 0 140 -2,-0.4 78,-0.2 78,-0.3 -1,-0.1 -0.309 107.1 18.7 -52.9 134.3 6.7 1.1 34.9 43 44 A G T 3 S+ 0 0 52 76,-3.1 -1,-0.2 75,-0.1 77,-0.1 0.202 104.8 86.3 88.9 -12.2 8.6 -2.2 35.3 44 45 A K S < S- 0 0 111 -3,-1.9 -2,-0.1 -18,-0.2 3,-0.1 0.557 82.9-136.6 -95.6 -11.9 6.9 -4.1 32.5 45 46 A Y - 0 0 120 -4,-0.4 -3,-0.1 74,-0.1 -18,-0.1 0.935 40.6-159.7 48.6 49.4 9.1 -3.1 29.5 46 47 A G + 0 0 0 -5,-0.5 70,-3.1 -20,-0.4 2,-0.3 -0.076 19.4 175.0 -66.0 157.2 5.8 -2.6 27.6 47 48 A A E -GH 25 115B 0 -22,-2.2 -22,-1.8 68,-0.3 2,-0.4 -0.994 33.0-123.0-154.6 150.2 5.4 -2.5 23.9 48 49 A V E - H 0 114B 0 66,-1.8 66,-2.0 -2,-0.3 2,-0.4 -0.814 27.4-165.4 -86.1 142.5 2.8 -2.4 21.0 49 50 A S E - H 0 113B 0 -2,-0.4 -26,-2.9 64,-0.2 2,-0.7 -0.898 6.8-154.1-133.9 98.8 3.2 -5.4 18.7 50 51 A L E -FH 22 112B 1 62,-2.9 62,-1.8 -2,-0.4 2,-0.6 -0.680 12.8-161.0 -78.9 115.3 1.4 -4.9 15.4 51 52 A K E -FH 21 111B 21 -30,-2.6 -30,-2.3 -2,-0.7 2,-0.5 -0.880 11.9-141.6-105.6 114.2 0.6 -8.4 14.1 52 53 A R E -F 20 0B 64 58,-2.6 -32,-0.2 -2,-0.6 3,-0.1 -0.614 10.5-154.8 -71.5 118.3 -0.2 -8.8 10.4 53 54 A N S S+ 0 0 76 -34,-2.6 2,-0.4 -2,-0.5 -1,-0.2 0.866 77.3 28.3 -69.1 -37.6 -3.0 -11.4 10.2 54 55 A S S S- 0 0 98 -35,-0.4 -1,-0.2 -3,-0.0 2,-0.0 -0.992 113.8 -5.3-128.3 127.9 -2.3 -12.6 6.7 55 56 A G - 0 0 49 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.110 65.6-109.4 87.1 176.4 1.0 -12.6 5.0 56 57 A S - 0 0 49 22,-0.0 2,-0.2 -3,-0.0 54,-0.2 -0.973 13.8-121.9-147.5 154.5 4.5 -11.3 5.8 57 58 A F B -K 109 0C 10 52,-2.8 52,-2.6 -2,-0.3 2,-0.4 -0.636 21.9-148.2 -90.5 153.7 7.0 -8.6 4.8 58 59 A R - 0 0 196 -2,-0.2 48,-0.1 50,-0.2 45,-0.1 -0.980 48.2 -58.0-128.2 121.1 10.5 -9.4 3.6 59 60 A G S S+ 0 0 23 -2,-0.4 45,-0.1 48,-0.4 75,-0.1 -0.123 85.0 109.5 51.5-137.1 13.5 -7.1 4.3 60 61 A G S S- 0 0 15 73,-0.4 43,-2.6 43,-0.1 2,-0.3 -0.403 70.9 -63.8 69.9-143.5 13.2 -3.6 3.0 61 62 A S E -DE 102 132A 0 71,-2.2 71,-2.6 41,-0.3 2,-0.4 -0.969 28.4-136.1-148.5 152.1 12.8 -0.6 5.3 62 63 A L E -DE 101 131A 1 39,-2.2 39,-2.8 -2,-0.3 2,-0.4 -0.967 18.9-170.0-114.7 131.3 10.3 0.9 7.8 63 64 A R E +DE 100 130A 19 67,-2.7 67,-2.6 -2,-0.4 2,-0.3 -0.950 19.8 142.9-122.4 137.2 9.5 4.6 7.8 64 65 A F E -D 99 0A 0 35,-1.9 35,-2.8 -2,-0.4 2,-0.4 -0.974 44.8-117.8-165.9 157.7 7.5 6.4 10.6 65 66 A D E +DE 98 127A 23 62,-2.8 62,-2.3 -2,-0.3 2,-0.3 -0.897 40.5 176.6 -99.3 136.4 7.2 9.6 12.6 66 67 A M E -DE 97 126A 0 31,-2.2 31,-1.7 -2,-0.4 2,-0.3 -1.000 25.4-175.6-144.6 141.3 7.8 9.3 16.4 67 68 A K E + E 0 125A 61 58,-1.7 58,-2.8 -2,-0.3 2,-0.3 -0.926 22.5 175.6-125.3 153.1 8.1 11.4 19.5 68 69 A N E -DE 93 124A 2 25,-2.2 25,-2.3 -2,-0.3 56,-0.2 -0.928 38.0-143.8-167.9 126.1 9.1 9.6 22.8 69 70 A E S S+ 0 0 90 54,-2.2 2,-0.2 -2,-0.3 55,-0.1 0.717 90.0 14.3 -70.1 -23.7 9.8 10.5 26.5 70 71 A G S S- 0 0 5 53,-0.4 23,-0.2 21,-0.1 2,-0.1 -0.766 104.3 -54.3-138.1-177.5 12.5 7.7 26.7 71 72 A K - 0 0 112 -2,-0.2 46,-0.8 21,-0.1 2,-0.5 -0.420 52.5-154.2 -63.7 138.7 14.7 5.4 24.6 72 73 A V E -IJ 90 116B 2 18,-2.3 18,-2.9 44,-0.2 2,-0.5 -0.973 4.2-149.9-122.6 124.6 12.6 3.2 22.2 73 74 A K E -IJ 89 115B 62 42,-2.2 42,-2.4 -2,-0.5 2,-0.5 -0.806 8.9-154.9 -93.4 131.4 13.6 -0.2 20.8 74 75 A I E +IJ 88 114B 0 14,-2.8 13,-2.3 -2,-0.5 14,-1.2 -0.914 21.4 170.7-102.1 125.8 12.2 -1.2 17.4 75 76 A L E -IJ 86 113B 5 38,-1.8 38,-2.9 -2,-0.5 2,-0.3 -0.933 22.1-155.5-127.9 159.5 11.9 -5.0 16.6 76 77 A V E -IJ 85 112B 0 9,-2.1 9,-2.3 -2,-0.3 2,-0.3 -0.928 17.7-168.0-121.8 156.0 10.5 -7.2 14.0 77 78 A E E -IJ 84 111B 15 34,-2.1 33,-1.7 -2,-0.3 34,-1.6 -0.984 24.2-137.1-143.0 155.2 9.4 -10.9 14.6 78 79 A N E >> -I 83 0B 25 5,-2.4 5,-1.5 -2,-0.3 4,-1.2 -0.972 16.7-162.5-107.2 111.3 8.4 -14.1 12.6 79 80 A S T 45S+ 0 0 40 -2,-0.6 -1,-0.1 2,-0.2 30,-0.1 0.772 85.5 54.6 -70.2 -26.4 5.4 -15.6 14.5 80 81 A E T 45S+ 0 0 173 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.936 120.3 30.8 -71.8 -50.0 5.7 -19.1 12.9 81 82 A A T 45S- 0 0 51 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.631 102.5-133.8 -75.6 -17.1 9.4 -19.6 13.9 82 83 A D T <5 + 0 0 124 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.965 55.4 142.9 49.4 58.9 8.9 -17.5 17.0 83 84 A E E < -I 78 0B 93 -5,-1.5 -5,-2.4 2,-0.0 2,-0.3 -0.967 33.7-158.7-125.2 142.0 12.1 -15.5 16.3 84 85 A K E -I 77 0B 132 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.865 1.8-159.1-122.6 157.7 12.7 -11.8 17.0 85 86 A F E -I 76 0B 63 -9,-2.3 -9,-2.1 -2,-0.3 2,-0.6 -0.972 15.6-135.8-146.1 119.3 15.2 -9.2 15.6 86 87 A E E +I 75 0B 99 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.668 22.9 177.3 -80.1 114.3 16.4 -5.9 17.1 87 88 A V E - 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