==== 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 1GWK . COMPND 2 MOLECULE: NON-CATALYTIC PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PIROMYCES EQUI; . AUTHOR S.J.CHARNOCK,D.NURIZZO,G.J.DAVIES . 285 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 63.2 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 . 130 45.6 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 . 1 0.4 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 . 28 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 4 0 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 . 0 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 4 A R 0 0 301 0, 0.0 2,-0.1 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 150.0 3.4 26.9 4.9 2 5 A A - 0 0 28 134,-0.1 2,-0.5 131,-0.1 128,-0.0 -0.368 360.0-126.1 -78.5 151.6 4.5 27.1 8.5 3 6 A T - 0 0 91 -2,-0.1 128,-1.3 2,-0.0 2,-0.5 -0.904 25.2-151.0 -90.7 129.5 8.1 27.9 9.6 4 7 A Y E -A 130 0A 74 -2,-0.5 2,-0.5 126,-0.2 126,-0.2 -0.907 10.2-168.8-107.6 126.6 9.5 25.2 11.9 5 8 A T E -A 129 0A 55 124,-2.9 124,-2.5 -2,-0.5 2,-0.6 -0.955 12.0-150.1-115.2 110.8 12.1 26.2 14.6 6 9 A V E -A 128 0A 66 -2,-0.5 122,-0.3 122,-0.2 3,-0.1 -0.691 14.6-178.4 -74.5 120.7 13.8 23.3 16.3 7 10 A I E - 0 0 13 120,-3.0 2,-0.3 -2,-0.6 9,-0.2 0.906 66.5 -28.1 -86.5 -53.5 14.6 24.5 19.8 8 11 A F E -A 127 0A 13 119,-1.5 119,-1.7 7,-0.1 -1,-0.4 -0.969 46.3-175.4-151.9 159.0 16.4 21.2 20.8 9 12 A K S S+ 0 0 104 1,-0.5 117,-2.0 -2,-0.3 2,-0.5 0.623 84.5 8.0-107.7 -85.1 16.2 17.6 20.0 10 13 A N S S- 0 0 112 115,-0.2 -1,-0.5 23,-0.1 2,-0.4 -0.869 82.4-150.5 -96.9 137.4 18.6 15.8 22.3 11 14 A A + 0 0 10 21,-2.6 21,-0.3 -2,-0.5 19,-0.2 -0.855 35.5 162.4-112.5 142.1 20.0 18.0 25.0 12 15 A S S S- 0 0 115 -2,-0.4 2,-0.3 1,-0.3 17,-0.1 0.203 84.3 -8.6-126.3 7.9 23.3 17.9 26.9 13 16 A G S S- 0 0 30 15,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.906 109.6 -37.8-176.7-175.2 23.1 21.6 28.2 14 17 A L S S- 0 0 73 -2,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.214 77.0 -89.4 -59.0 150.0 20.8 24.5 27.5 15 18 A P > - 0 0 9 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.332 52.4 -90.5 -63.1 148.6 19.6 24.9 23.9 16 19 A N T 3 S+ 0 0 166 1,-0.3 3,-0.1 -9,-0.2 -3,-0.0 -0.399 115.5 15.6 -62.0 130.0 21.9 27.0 21.7 17 20 A G T 3 S+ 0 0 38 1,-0.3 34,-2.8 -2,-0.1 35,-0.4 0.548 109.0 107.8 83.4 8.9 20.7 30.7 21.8 18 21 A Y E < -F 50 0B 27 -3,-2.0 -1,-0.3 32,-0.2 32,-0.2 -0.917 47.0-166.8-120.3 143.5 18.6 30.0 25.0 19 22 A D E -F 49 0B 69 30,-3.8 30,-2.9 -2,-0.4 2,-0.5 -0.659 24.4-121.7-109.2 173.6 18.9 31.0 28.6 20 23 A N E +F 48 0B 44 28,-0.2 28,-0.2 -2,-0.2 89,-0.0 -0.957 30.6 169.0-118.7 116.7 17.0 29.6 31.6 21 24 A W + 0 0 119 26,-2.8 27,-0.1 -2,-0.5 -1,-0.1 0.013 42.4 116.4-109.6 21.6 15.2 32.3 33.6 22 25 A G - 0 0 24 25,-0.2 2,-0.3 1,-0.0 24,-0.2 0.140 50.9-140.1 -79.2-162.3 13.2 29.8 35.7 23 26 A W B +G 45 0B 101 22,-2.4 22,-1.7 20,-0.1 3,-0.1 -0.972 66.1 28.5-156.6 159.9 13.3 29.2 39.5 24 27 A G S S+ 0 0 18 -2,-0.3 15,-2.7 20,-0.2 20,-0.4 0.671 96.0 97.7 55.9 27.9 13.2 26.5 42.1 25 28 A C E -B 38 0A 26 13,-0.3 2,-0.3 20,-0.2 -1,-0.1 -0.976 56.8-148.3-139.5 162.6 14.8 23.8 39.9 26 29 A T E -B 37 0A 75 11,-1.3 11,-3.0 -2,-0.3 2,-0.4 -0.904 21.4-146.3-117.3 142.3 18.1 22.0 38.9 27 30 A L E +B 36 0A 39 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.941 22.1 167.9-110.8 141.8 18.7 20.8 35.4 28 31 A S E -B 35 0A 49 7,-2.3 7,-2.7 -2,-0.4 2,-0.4 -0.852 20.7-137.1-140.4 175.9 20.6 17.7 34.5 29 32 A Y E +B 34 0A 58 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.998 28.7 147.1-142.8 137.5 21.0 15.7 31.3 30 33 A Y E > +B 33 0A 194 3,-1.3 3,-2.3 -2,-0.4 -19,-0.1 -0.908 69.7 10.4-167.2 145.1 21.1 12.1 30.4 31 34 A G T 3 S- 0 0 59 1,-0.3 3,-0.1 -2,-0.3 -19,-0.1 0.675 127.0 -63.8 54.2 26.7 20.0 10.0 27.3 32 35 A G T 3 S+ 0 0 16 -21,-0.3 -21,-2.6 1,-0.3 2,-0.3 0.436 107.0 125.9 77.0 0.3 19.5 13.2 25.4 33 36 A A E < -B 30 0A 1 -3,-2.3 -3,-1.3 -23,-0.2 2,-0.6 -0.707 63.6-130.6 -89.4 142.7 16.7 14.4 27.7 34 37 A X E -BC 29 124A 0 90,-3.2 90,-2.5 -2,-0.3 2,-0.5 -0.832 32.4-156.4 -78.2 126.0 16.6 17.7 29.5 35 38 A I E -BC 28 123A 13 -7,-2.7 -7,-2.3 -2,-0.6 2,-0.5 -0.934 4.5-157.3-116.0 119.4 15.8 16.5 33.1 36 39 A I E -BC 27 122A 1 86,-3.2 86,-1.6 -2,-0.5 -9,-0.2 -0.868 6.9-167.6-101.3 133.2 14.2 19.0 35.4 37 40 A N E -B 26 0A 52 -11,-3.0 -11,-1.3 -2,-0.5 84,-0.1 -0.804 13.1-164.1-116.0 85.8 14.5 18.5 39.1 38 41 A P E -B 25 0A 11 0, 0.0 2,-0.4 0, 0.0 -13,-0.3 -0.276 18.7-121.3 -71.3 154.9 12.0 20.9 40.8 39 42 A Q > > - 0 0 87 -15,-2.7 3,-1.8 1,-0.1 5,-0.5 -0.826 30.9 -99.1-103.3 137.5 12.4 21.6 44.5 40 43 A E T 3 5S+ 0 0 153 -2,-0.4 78,-0.2 1,-0.2 77,-0.1 -0.239 104.7 14.2 -58.4 136.1 9.7 20.9 47.0 41 44 A G T 3 5S+ 0 0 55 76,-2.9 -1,-0.2 75,-0.1 77,-0.1 0.315 107.9 87.7 87.6 -8.0 7.6 23.8 48.1 42 45 A K T < 5S- 0 0 120 -3,-1.8 -2,-0.1 -18,-0.2 3,-0.1 0.584 79.0-140.7 -97.2 -13.1 8.8 26.0 45.2 43 46 A Y T 5 - 0 0 125 -4,-0.4 -3,-0.1 74,-0.2 -18,-0.1 0.899 41.2-161.0 46.4 46.5 6.4 25.2 42.3 44 47 A G < - 0 0 1 -5,-0.5 70,-2.7 -20,-0.4 2,-0.4 -0.089 17.1-170.8 -64.6 152.9 9.6 25.5 40.3 45 48 A A E -GH 23 113B 0 -22,-1.7 -22,-2.4 68,-0.2 2,-0.4 -0.996 23.7-134.3-140.7 143.1 9.7 26.0 36.6 46 49 A V E - H 0 112B 0 66,-1.9 66,-1.9 -2,-0.4 2,-0.5 -0.781 23.2-166.2 -81.4 139.8 12.2 26.0 33.9 47 50 A S E - H 0 111B 0 -2,-0.4 -26,-2.8 64,-0.2 2,-0.5 -0.874 8.7-151.5-136.0 96.9 11.8 29.0 31.7 48 51 A L E -FH 20 110B 0 62,-2.8 62,-1.6 -2,-0.5 2,-0.6 -0.609 14.8-158.7 -81.3 121.5 13.6 28.7 28.4 49 52 A K E -FH 19 109B 29 -30,-2.9 -30,-3.8 -2,-0.5 2,-0.4 -0.916 11.1-139.0-115.1 116.1 14.5 32.2 27.4 50 53 A R E -F 18 0B 62 58,-2.8 -32,-0.2 -2,-0.6 3,-0.2 -0.594 11.2-150.1 -72.3 119.4 15.2 32.9 23.7 51 54 A N S S+ 0 0 95 -34,-2.8 2,-0.4 -2,-0.4 -1,-0.1 0.874 80.5 23.3 -62.8 -38.4 18.1 35.4 23.7 52 55 A S S S- 0 0 102 -35,-0.4 -1,-0.2 56,-0.0 2,-0.1 -0.960 112.8 -1.5-137.5 115.1 17.2 37.1 20.4 53 56 A G - 0 0 41 -2,-0.4 2,-0.3 -3,-0.2 -3,-0.1 -0.440 61.9-103.9 104.3-176.3 13.7 37.2 19.0 54 57 A S - 0 0 47 -2,-0.1 2,-0.3 22,-0.0 54,-0.2 -0.969 11.9-131.5-152.8 153.6 10.1 36.0 19.6 55 58 A F B -K 107 0C 9 52,-2.6 52,-2.7 -2,-0.3 2,-0.5 -0.833 18.0-147.6-105.3 151.7 7.5 33.4 18.4 56 59 A R - 0 0 187 -2,-0.3 3,-0.1 50,-0.2 48,-0.1 -0.980 48.3 -63.9-123.6 122.5 3.9 34.3 17.6 57 60 A G S S+ 0 0 18 -2,-0.5 45,-0.1 48,-0.4 73,-0.1 -0.072 84.4 111.0 45.6-133.6 1.1 31.9 18.2 58 61 A G S S- 0 0 16 73,-0.4 43,-3.3 43,-0.2 2,-0.3 -0.405 73.2 -66.5 63.3-134.7 1.3 28.6 16.2 59 62 A S E -DE 100 130A 0 71,-2.6 71,-2.4 41,-0.3 2,-0.4 -0.976 29.6-126.3-154.7 161.9 2.0 25.6 18.3 60 63 A L E -DE 99 129A 1 39,-2.5 39,-2.9 -2,-0.3 2,-0.4 -0.936 18.3-166.6-119.3 132.6 4.5 23.8 20.4 61 64 A R E +DE 98 128A 7 67,-3.5 67,-2.7 -2,-0.4 2,-0.3 -0.935 22.2 141.2-118.7 138.8 5.7 20.2 19.9 62 65 A F E -D 97 0A 2 35,-1.9 35,-3.1 -2,-0.4 2,-0.5 -0.964 43.7-121.5-165.2 155.5 7.7 18.2 22.4 63 66 A D E +DE 96 125A 20 62,-2.8 62,-1.9 -2,-0.3 2,-0.4 -0.906 40.4 172.6 -98.3 137.5 8.2 14.7 23.9 64 67 A X E -DE 95 124A 0 31,-2.7 31,-1.7 -2,-0.5 2,-0.3 -0.998 26.5-174.5-145.8 142.4 7.7 14.5 27.6 65 68 A K E + E 0 123A 48 58,-1.7 58,-2.7 -2,-0.4 2,-0.3 -0.966 21.9 173.2-122.6 156.9 7.5 12.1 30.5 66 69 A N E -DE 91 122A 1 25,-2.2 25,-2.6 -2,-0.3 56,-0.2 -0.951 37.2-142.8-167.3 133.5 6.7 13.3 33.9 67 70 A E S S+ 0 0 95 54,-2.3 2,-0.3 -2,-0.3 55,-0.1 0.674 89.5 19.8 -73.5 -22.3 6.0 12.0 37.4 68 71 A G S S- 0 0 5 53,-0.5 23,-0.1 21,-0.1 2,-0.1 -0.812 104.0 -59.6-138.4 177.6 3.4 14.7 38.2 69 72 A K - 0 0 114 -2,-0.3 46,-1.1 21,-0.1 2,-0.4 -0.409 50.8-155.6 -61.7 138.7 1.2 17.2 36.5 70 73 A V E -IJ 88 114B 1 18,-2.7 18,-3.3 44,-0.2 2,-0.5 -0.950 6.1-147.1-120.4 135.3 3.1 19.7 34.4 71 74 A K E -IJ 87 113B 53 42,-2.4 42,-2.7 -2,-0.4 2,-0.5 -0.871 10.9-155.3-102.1 128.7 1.9 23.2 33.5 72 75 A I E +IJ 86 112B 0 14,-2.6 13,-3.1 -2,-0.5 14,-1.1 -0.906 22.7 166.7-102.9 125.5 3.1 24.5 30.1 73 76 A L E -IJ 84 111B 5 38,-2.0 38,-3.3 -2,-0.5 2,-0.3 -0.940 26.8-150.5-135.9 159.2 3.2 28.3 29.7 74 77 A V E -IJ 83 110B 0 9,-1.7 9,-2.1 -2,-0.3 2,-0.4 -0.903 20.3-159.7-118.4 152.1 4.6 30.9 27.3 75 78 A E E -IJ 82 109B 3 34,-2.0 33,-1.5 -2,-0.3 34,-1.3 -0.977 19.3-143.9-133.8 149.7 5.6 34.4 28.5 76 79 A N E >> -I 81 0B 9 5,-2.4 5,-1.9 -2,-0.4 4,-0.7 -0.977 14.9-162.1-105.4 118.8 6.2 37.8 27.0 77 80 A S T 45S+ 0 0 33 -2,-0.5 -1,-0.1 1,-0.2 30,-0.1 0.821 85.4 52.2 -73.8 -32.5 9.1 39.4 28.9 78 81 A E T 45S+ 0 0 183 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.928 118.2 35.1 -68.9 -48.3 8.4 43.0 27.8 79 82 A A T 45S- 0 0 56 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.516 104.0-133.3 -85.3 -6.0 4.8 43.0 28.9 80 83 A D T <5 + 0 0 130 -4,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.934 55.6 142.8 52.0 54.6 5.7 40.8 31.9 81 84 A E E < -I 76 0B 90 -5,-1.9 -5,-2.4 2,-0.0 2,-0.3 -0.983 38.4-155.8-133.2 136.8 2.7 38.4 31.2 82 85 A K E -I 75 0B 101 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.806 5.6-164.1-105.3 150.2 2.3 34.6 31.4 83 86 A F E -I 74 0B 66 -9,-2.1 -9,-1.7 -2,-0.3 2,-0.4 -0.983 18.8-131.1-138.9 120.9 -0.3 32.6 29.5 84 87 A E E +I 73 0B 122 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.589 24.9 177.7 -74.0 127.0 -1.2 29.0 30.4 85 88 A V E - 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