==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 12-APR-10 3MIU . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUSA ACUMINATA; . AUTHOR A.SHARMA,M.VIJAYAN . 278 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 80.2 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 . 162 58.3 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 . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 39 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 2.2 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+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 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 . 0 2 2 0 2 6 1 5 0 2 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 4 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 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 A 0 0 85 0, 0.0 2,-0.6 0, 0.0 136,-0.1 0.000 360.0 360.0 360.0 141.0 16.2 24.1 69.1 2 5 A I E +A 136 0A 15 134,-0.5 134,-2.9 255,-0.1 2,-0.5 -0.950 360.0 177.4-117.3 107.4 18.4 24.0 66.0 3 6 A K E -AB 135 256A 40 253,-1.8 253,-2.1 -2,-0.6 252,-1.7 -0.969 4.2-174.1-116.4 125.7 20.6 20.9 65.9 4 7 A V E -AB 134 254A 0 130,-2.6 130,-2.9 -2,-0.5 2,-0.3 -0.933 39.0 -24.1-124.3 136.9 22.8 20.4 62.9 5 8 A G E - 0 0 6 248,-3.3 250,-0.2 -2,-0.4 128,-0.2 -0.727 21.0-150.6 101.2-160.6 24.9 17.3 62.2 6 9 A A E - 0 0 39 126,-0.5 2,-0.5 -2,-0.3 127,-0.3 0.534 30.1-167.1 -86.3 154.4 26.2 15.0 63.5 7 10 A W E +A 132 0A 5 125,-3.1 125,-1.9 -3,-0.2 2,-0.3 -0.897 50.5 39.1-103.3 131.9 29.1 14.4 61.1 8 11 A G E S-A 131 0A 21 -2,-0.5 123,-0.3 123,-0.2 77,-0.2 -0.974 89.0 -30.1 136.3-150.3 31.1 11.1 61.5 9 12 A G - 0 0 6 121,-2.5 76,-0.1 75,-0.8 -3,-0.0 -0.248 42.3-117.9-101.3-172.9 30.3 7.5 62.3 10 13 A N S S+ 0 0 149 -2,-0.1 121,-0.1 4,-0.0 4,-0.1 0.345 77.4 105.0-109.7 0.7 27.8 5.5 64.2 11 14 A G + 0 0 32 73,-0.4 119,-0.1 119,-0.1 120,-0.0 -0.116 61.5 34.5 -70.5 175.8 30.3 3.9 66.7 12 15 A G S S- 0 0 37 112,-0.1 2,-0.3 118,-0.1 114,-0.2 -0.031 96.6 -55.0 71.2-174.4 30.6 4.9 70.3 13 16 A S E -C 125 0A 88 112,-2.8 112,-2.1 1,-0.0 2,-0.1 -0.798 56.5-104.8-103.7 144.5 28.0 6.2 72.8 14 17 A A E -C 124 0A 74 -2,-0.3 2,-0.3 110,-0.2 110,-0.3 -0.435 37.5-171.8 -67.5 135.0 25.7 9.1 72.1 15 18 A F E +C 123 0A 28 108,-3.0 108,-2.9 -2,-0.1 2,-0.3 -0.951 11.2 176.7-125.1 154.7 26.5 12.4 73.9 16 19 A D E +C 122 0A 81 -2,-0.3 106,-0.2 106,-0.3 -2,-0.0 -0.836 11.6 179.8-156.3 109.6 24.5 15.6 74.1 17 20 A M E - 0 0 22 104,-2.4 105,-0.1 -2,-0.3 -1,-0.1 0.666 39.3-139.5 -85.8 -14.4 25.6 18.6 76.2 18 21 A G E -C 121 0A 15 103,-0.8 103,-0.5 2,-0.0 2,-0.2 -0.119 40.5 -45.5 76.3 175.4 22.5 20.7 75.2 19 22 A P E -C 120 0A 55 0, 0.0 101,-0.2 0, 0.0 2,-0.2 -0.522 59.4-150.9 -78.2 148.8 22.8 24.4 74.5 20 23 A A - 0 0 4 99,-3.3 23,-0.2 -2,-0.2 3,-0.2 -0.678 23.1-124.1-111.3 166.8 24.8 26.7 76.8 21 24 A Y S S- 0 0 180 21,-2.4 2,-0.3 1,-0.3 22,-0.1 0.875 96.7 -6.8 -70.3 -38.2 24.5 30.3 77.7 22 25 A R E -E 42 0B 121 20,-0.8 20,-1.9 97,-0.1 2,-0.5 -0.943 66.3-126.8-162.9 125.5 28.1 30.9 76.6 23 26 A I E -E 41 0B 11 -2,-0.3 18,-0.3 95,-0.3 3,-0.1 -0.733 24.0-177.0 -77.7 123.6 30.9 28.7 75.5 24 27 A I E - 0 0 41 16,-2.7 40,-2.5 -2,-0.5 2,-0.3 0.908 62.2 -17.2 -85.4 -50.6 33.9 29.5 77.7 25 28 A S E -EF 40 63B 11 15,-1.8 15,-2.5 38,-0.2 2,-0.4 -0.996 47.5-148.2-156.0 153.2 36.5 27.2 76.0 26 29 A V E -EF 39 62B 1 36,-2.6 36,-2.9 -2,-0.3 2,-0.6 -0.990 13.7-163.9-126.4 120.0 36.9 24.2 73.7 27 30 A K E -EF 38 61B 63 11,-3.2 11,-2.7 -2,-0.4 2,-0.6 -0.925 6.5-160.4-105.5 117.0 39.8 21.9 74.3 28 31 A I E -EF 37 60B 0 32,-2.0 32,-1.4 -2,-0.6 2,-0.6 -0.895 1.1-162.1-104.2 115.0 40.5 19.6 71.3 29 32 A F E +EF 36 59B 33 7,-2.5 7,-1.9 -2,-0.6 6,-1.7 -0.860 27.5 154.2 -92.5 121.3 42.6 16.5 72.0 30 33 A S E +EF 34 58B 10 28,-2.0 28,-3.1 -2,-0.6 4,-0.2 -0.990 23.1 154.9-148.0 156.8 44.1 15.0 68.9 31 34 A G S S- 0 0 29 2,-2.6 72,-0.5 -2,-0.3 71,-0.2 -0.017 90.7 -18.6-134.0-111.8 46.9 12.9 67.4 32 35 A D S S+ 0 0 90 70,-0.2 71,-0.9 71,-0.1 72,-0.7 0.796 144.0 17.6 -61.8 -33.7 46.4 11.0 64.2 33 36 A V S S- 0 0 2 69,-0.2 -2,-2.6 70,-0.2 2,-0.8 -0.830 100.1 -84.9-136.6 162.9 42.7 11.4 64.8 34 37 A V E -E 30 0B 0 52,-2.4 95,-2.5 -2,-0.3 -4,-0.3 -0.704 43.7-179.5 -76.8 110.9 40.5 13.6 67.0 35 38 A D E - 0 0 13 -6,-1.7 19,-2.4 -2,-0.8 2,-0.3 0.860 53.0 -35.4 -79.0 -39.4 40.4 11.8 70.3 36 39 A A E -EG 29 53B 0 -7,-1.9 -7,-2.5 17,-0.3 2,-0.3 -0.985 45.0-125.8-173.8 174.1 38.2 14.1 72.3 37 40 A V E -EG 28 52B 0 15,-2.6 15,-2.8 -2,-0.3 2,-0.5 -0.999 7.5-155.9-142.3 134.2 36.8 17.5 73.2 38 41 A D E -EG 27 51B 27 -11,-2.7 -11,-3.2 -2,-0.3 2,-0.5 -0.974 15.4-168.3-105.7 125.6 36.5 19.3 76.5 39 42 A V E -EG 26 50B 0 11,-2.3 11,-2.2 -2,-0.5 2,-0.4 -0.970 3.5-169.4-116.4 121.2 33.8 22.0 76.5 40 43 A T E +EG 25 49B 27 -15,-2.5 -16,-2.7 -2,-0.5 -15,-1.8 -0.913 24.5 148.2-107.3 136.8 33.6 24.5 79.3 41 44 A F E -EG 23 48B 4 7,-2.5 7,-2.9 -2,-0.4 2,-0.3 -0.956 43.9-102.7-158.7 166.7 30.5 26.7 79.5 42 45 A T E -EG 22 47B 19 -20,-1.9 -21,-2.4 -2,-0.3 -20,-0.8 -0.816 29.5-179.4-104.3 150.0 28.0 28.5 81.6 43 46 A Y E > - G 0 46B 104 3,-3.2 3,-2.2 -2,-0.3 -23,-0.1 -0.875 67.6 -31.3-154.2 105.9 24.5 27.3 82.3 44 47 A Y T 3 S- 0 0 204 -2,-0.3 3,-0.1 1,-0.3 -24,-0.0 0.842 128.2 -40.7 47.8 44.4 21.9 29.1 84.4 45 48 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.396 121.6 104.3 91.6 -0.3 24.6 30.7 86.6 46 49 A K E < -G 43 0B 119 -3,-2.2 -3,-3.2 2,-0.0 2,-0.5 -0.835 62.4-140.0-110.5 148.2 26.8 27.6 86.8 47 50 A T E -G 42 0B 98 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.955 29.5-179.9-110.8 131.2 30.0 26.9 85.0 48 51 A E E -G 41 0B 47 -7,-2.9 -7,-2.5 -2,-0.5 2,-0.4 -0.888 20.5-153.4-132.4 151.0 30.4 23.3 83.7 49 52 A T E -G 40 0B 74 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.997 11.2-170.3-127.9 135.9 32.9 21.1 81.9 50 53 A R E -G 39 0B 102 -11,-2.2 -11,-2.3 -2,-0.4 2,-0.5 -0.981 11.1-149.2-123.5 137.8 32.0 18.1 79.8 51 54 A H E -G 38 0B 90 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.917 13.8-175.3-102.6 124.6 34.4 15.5 78.3 52 55 A F E +G 37 0B 18 -15,-2.8 -15,-2.6 -2,-0.5 2,-0.3 -0.984 54.4 3.7-117.7 127.6 33.4 13.9 75.0 53 56 A G E S-G 36 0B 21 -2,-0.5 -17,-0.3 -17,-0.2 75,-0.2 -0.715 94.8 -41.0 105.3-155.6 35.6 11.1 73.6 54 57 A G - 0 0 11 -19,-2.4 73,-0.1 73,-0.4 -25,-0.1 -0.284 47.0-104.2-107.6-169.5 38.8 9.5 75.0 55 58 A S S S+ 0 0 121 -2,-0.1 -19,-0.1 -19,-0.0 73,-0.1 0.368 80.7 100.4-104.5 3.6 42.0 10.4 76.8 56 59 A G + 0 0 31 71,-0.5 -21,-0.1 -21,-0.1 -20,-0.1 -0.228 56.8 48.0 -77.7 172.4 44.5 10.1 73.9 57 60 A G S S- 0 0 37 -28,-0.1 -26,-0.2 -22,-0.1 -28,-0.1 0.003 82.8 -74.2 92.4 167.5 45.9 13.0 72.0 58 61 A T E -F 30 0B 92 -28,-3.1 -28,-2.0 -30,-0.0 2,-0.2 -0.906 49.7-123.7-102.3 132.4 47.5 16.4 72.5 59 62 A P E -F 29 0B 59 0, 0.0 2,-0.4 0, 0.0 -30,-0.2 -0.523 20.4-169.6 -79.8 143.2 45.1 19.3 73.6 60 63 A H E -F 28 0B 89 -32,-1.4 -32,-2.0 -2,-0.2 2,-0.4 -0.947 18.4-143.8-128.9 111.5 44.7 22.6 71.8 61 64 A E E -F 27 0B 113 -2,-0.4 2,-0.7 -34,-0.2 -34,-0.2 -0.598 13.1-167.3 -79.7 126.0 42.6 25.2 73.8 62 65 A I E -F 26 0B 0 -36,-2.9 -36,-2.6 -2,-0.4 2,-0.5 -0.963 15.9-172.5-100.7 106.5 40.3 27.6 72.1 63 66 A V E -F 25 0B 64 -2,-0.7 2,-0.5 -38,-0.2 -38,-0.2 -0.907 17.4-136.2-100.6 124.8 39.5 30.1 74.8 64 67 A L - 0 0 22 -40,-2.5 3,-0.1 -2,-0.5 6,-0.0 -0.716 18.0-155.3 -87.8 124.8 36.8 32.6 73.9 65 68 A Q > - 0 0 125 -2,-0.5 3,-1.8 1,-0.2 2,-0.1 -0.080 47.2 -42.7 -81.9-173.5 37.4 36.3 74.8 66 69 A E T 3 S- 0 0 70 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.313 127.4 -7.7 -57.1 125.0 34.9 39.0 75.3 67 70 A G T 3 S+ 0 0 46 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.754 98.8 136.4 54.9 28.6 32.1 38.9 72.7 68 71 A E < + 0 0 11 -3,-1.8 2,-0.3 25,-0.1 -1,-0.2 -0.904 30.1 179.7-102.4 132.5 33.9 36.2 70.8 69 72 A Y - 0 0 109 -2,-0.4 25,-1.0 -3,-0.1 2,-0.7 -0.924 35.7-100.0-132.2 158.6 31.7 33.4 69.5 70 73 A L E +H 93 0C 1 48,-0.5 48,-3.0 -2,-0.3 23,-0.3 -0.710 43.3 162.6 -79.7 115.2 32.0 30.2 67.5 71 74 A V E + 0 0 36 21,-2.3 42,-2.2 -2,-0.7 2,-0.3 0.200 57.6 37.3-119.5 11.5 30.8 30.9 64.0 72 75 A G E -HI 92 112C 5 20,-1.1 20,-2.1 40,-0.2 2,-0.3 -0.952 48.6-177.9-163.3 144.6 32.3 27.9 62.1 73 76 A M E +HI 91 111C 4 38,-1.2 38,-3.5 -2,-0.3 2,-0.3 -0.990 16.9 158.3-140.6 137.8 33.1 24.2 62.4 74 77 A K E +HI 90 110C 38 16,-2.1 16,-2.6 -2,-0.3 2,-0.3 -0.988 7.0 126.4-152.7 154.4 34.8 22.0 59.8 75 78 A G E -HI 89 109C 7 34,-2.0 34,-2.2 -2,-0.3 2,-0.3 -0.952 43.7 -95.8-175.8-161.3 36.7 18.8 59.6 76 79 A E E -HI 88 108C 49 12,-2.0 11,-2.1 -2,-0.3 12,-1.9 -0.994 22.7-159.4-139.5 143.4 37.0 15.4 58.0 77 80 A F E +HI 86 107C 38 30,-2.3 30,-2.3 -2,-0.3 2,-0.3 -0.947 23.7 143.0-120.5 147.8 35.7 11.9 59.0 78 81 A G E -H 85 0C 18 7,-2.3 7,-2.3 -2,-0.4 2,-0.4 -0.988 53.4 -68.2-168.7 170.8 36.9 8.5 57.9 79 82 A N E -H 84 0C 117 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.566 44.0-175.7 -70.1 119.0 37.7 4.9 58.7 80 83 A Y E > S-H 83 0C 52 3,-2.3 3,-1.1 -2,-0.4 -1,-0.0 -0.914 70.7 -39.6-123.3 100.5 40.7 4.8 61.0 81 84 A H T 3 S- 0 0 184 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 0.854 130.7 -29.5 44.7 44.7 41.7 1.2 61.7 82 85 A G T 3 S+ 0 0 59 1,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.217 121.3 82.1 113.2 -13.9 38.1 -0.0 61.9 83 86 A V E < S-H 80 0C 62 -3,-1.1 -3,-2.3 -5,-0.1 2,-0.9 -0.985 71.3-126.7-130.0 135.0 36.0 2.9 63.1 84 87 A V E +H 79 0C 55 -2,-0.4 -75,-0.8 -5,-0.2 -73,-0.4 -0.673 50.8 157.3 -75.3 105.6 34.5 5.9 61.3 85 88 A V E -H 78 0C 1 -7,-2.3 -7,-2.3 -2,-0.9 2,-0.8 -0.829 53.7 -86.6-129.2 164.2 35.8 8.9 63.4 86 89 A V E +H 77 0C 0 43,-2.6 -52,-2.4 -2,-0.3 -9,-0.3 -0.644 42.6 179.2 -71.2 109.0 36.5 12.6 63.1 87 90 A G E + 0 0 2 -11,-2.1 17,-1.3 -2,-0.8 2,-0.3 0.731 69.1 22.5 -86.7 -25.4 40.1 12.6 61.7 88 91 A K E -H 76 0C 71 -12,-1.9 -12,-2.0 15,-0.2 2,-0.3 -0.992 69.0-178.8-139.6 141.1 40.4 16.3 61.5 89 92 A L E +HJ 75 101C 0 12,-2.1 12,-3.8 -2,-0.3 2,-0.3 -0.997 5.7 166.3-145.1 140.0 38.5 19.0 63.4 90 93 A G E -H 74 0C 5 -16,-2.6 -16,-2.1 -2,-0.3 2,-0.3 -0.978 12.7-161.4-150.6 157.4 38.6 22.8 63.3 91 94 A F E -HJ 73 98C 5 7,-1.4 7,-3.5 -2,-0.3 2,-0.4 -0.957 4.7-154.2-137.0 156.6 36.7 25.9 64.5 92 95 A S E -HJ 72 97C 36 -20,-2.1 -21,-2.3 -2,-0.3 -20,-1.1 -0.999 6.2-164.6-131.9 142.6 36.4 29.6 63.7 93 96 A T E -H 70 0C 9 3,-3.5 -23,-0.2 -2,-0.4 -25,-0.1 -0.456 43.9 -95.3-102.7-177.3 35.4 32.5 65.9 94 97 A N S S+ 0 0 78 -25,-1.0 3,-0.1 -2,-0.2 -24,-0.1 0.685 126.0 41.6 -71.9 -16.4 34.4 36.0 64.8 95 98 A K S S- 0 0 132 1,-0.3 2,-0.3 -26,-0.2 -1,-0.2 0.797 126.4 -20.2-100.6 -37.9 38.0 37.0 65.5 96 99 A K - 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