==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 22-FEB-12 4AKD . COMPND 2 MOLECULE: MANNOSE-SPECIFIC LECTIN KM+; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS INTEGER; . AUTHOR M.GABRIELSEN,P.S.ABDUL-RAHMAN,S.OTHMAN,O.H.HASHIM,R.J.COGDEL . 594 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 66.7 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 . 292 49.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 53 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 1 4 0 12 4 9 4 7 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 7 5 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 1 A M 0 0 21 0, 0.0 2,-0.6 0, 0.0 328,-0.3 0.000 360.0 360.0 360.0 -13.1 11.8 24.7 25.3 2 2 A A - 0 0 52 373,-0.2 326,-0.2 326,-0.1 325,-0.1 -0.823 360.0-130.8 -90.0 119.5 8.4 23.5 26.6 3 3 A S - 0 0 28 324,-3.0 2,-0.3 -2,-0.6 347,-0.1 -0.368 26.2-148.6 -63.2 147.3 7.9 19.8 25.8 4 4 A Q - 0 0 66 443,-2.4 2,-0.3 -2,-0.1 443,-0.3 -0.786 11.2-159.1-121.5 165.0 4.6 18.9 24.2 5 5 A T - 0 0 24 -2,-0.3 144,-0.2 441,-0.1 2,-0.1 -0.934 37.8 -87.3-135.2 159.8 2.1 16.0 24.1 6 6 A I E -A 148 0A 7 142,-1.2 142,-2.5 -2,-0.3 2,-0.4 -0.437 48.4-161.2 -59.5 135.7 -0.7 14.7 21.8 7 7 A T E -AB 147 278A 8 271,-3.1 270,-2.6 140,-0.2 271,-2.1 -0.993 9.8-175.8-132.8 124.2 -3.9 16.5 23.0 8 8 A V E -AB 146 276A 0 138,-2.6 138,-2.2 -2,-0.4 268,-0.2 -0.904 34.5 -13.9-121.8 154.0 -7.4 15.3 22.2 9 9 A G E - 0 0 2 266,-2.7 136,-0.2 -2,-0.3 2,-0.1 -0.654 21.9-151.6 97.9-158.9 -10.8 16.8 23.0 10 10 A P E - 0 0 48 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.555 26.6-167.1 -79.3 161.6 -12.3 18.8 24.6 11 11 A W E +A 144 0A 11 133,-2.8 133,-1.9 -2,-0.1 2,-0.3 -0.964 57.4 33.2-110.8 127.2 -15.7 17.1 24.9 12 12 A G E S-A 143 0A 31 -2,-0.5 131,-0.3 131,-0.2 84,-0.2 -0.903 92.1 -39.1 129.3-154.9 -18.3 19.6 26.2 13 13 A G - 0 0 10 129,-2.7 84,-0.1 82,-0.6 -2,-0.1 -0.609 39.0-113.5-114.6 174.4 -18.9 23.3 25.8 14 14 A S S S+ 0 0 94 -2,-0.2 4,-0.1 82,-0.0 129,-0.1 0.303 76.3 112.6 -86.9 4.0 -17.1 26.7 25.7 15 15 A G + 0 0 14 80,-0.4 127,-0.1 127,-0.2 -2,-0.0 -0.144 63.1 17.6 -71.6 174.7 -18.6 28.0 29.0 16 16 A G S S- 0 0 29 120,-0.1 2,-0.4 126,-0.1 122,-0.3 -0.110 103.2 -41.2 61.9-157.7 -16.6 28.7 32.2 17 17 A N E -C 137 0A 124 120,-2.5 120,-2.2 1,-0.0 125,-0.1 -0.925 52.3-122.4-113.4 133.7 -12.8 29.1 32.4 18 18 A G E +C 136 0A 50 -2,-0.4 2,-0.3 118,-0.2 118,-0.3 -0.341 33.8 173.8 -69.7 140.5 -10.2 27.0 30.5 19 19 A W E -C 135 0A 33 116,-2.8 116,-2.4 -2,-0.1 2,-0.3 -0.959 16.2-165.2-144.6 158.2 -7.5 25.2 32.5 20 20 A D E -C 134 0A 81 -2,-0.3 114,-0.2 114,-0.2 3,-0.1 -0.883 10.7-163.9-148.6 116.2 -4.7 22.8 31.7 21 21 A D - 0 0 5 112,-2.4 2,-0.2 -2,-0.3 113,-0.1 0.723 40.4-142.8 -72.6 -18.9 -2.9 20.6 34.3 22 22 A G - 0 0 9 111,-0.5 2,-0.3 32,-0.0 111,-0.3 -0.489 32.5 -45.1 86.4-158.3 -0.2 20.0 31.7 23 23 A S + 0 0 24 -2,-0.2 109,-0.2 109,-0.1 2,-0.2 -0.852 52.7 161.4-120.1 147.9 1.6 16.6 31.4 24 24 A Y - 0 0 24 107,-2.0 23,-0.2 -2,-0.3 3,-0.1 -0.477 54.5 -79.3-139.8-162.7 3.2 14.1 33.9 25 25 A T S S- 0 0 9 21,-2.5 280,-3.3 1,-0.3 279,-0.4 0.723 92.1 -62.8 -84.4 -28.1 4.3 10.4 34.2 26 26 A G E -E 46 0B 0 20,-1.3 20,-2.3 105,-0.2 2,-0.4 -0.979 60.6 -59.0 171.7-164.1 0.8 9.1 34.7 27 27 A I E +E 45 0B 4 -2,-0.3 18,-0.2 18,-0.3 3,-0.1 -0.950 33.7 162.7-116.2 129.4 -2.4 9.0 36.8 28 28 A R E S+ 0 0 55 16,-2.4 42,-2.7 -2,-0.4 2,-0.3 0.804 71.3 4.4-104.5 -47.8 -2.6 7.8 40.4 29 29 A Q E -EF 44 69B 21 15,-2.2 15,-3.0 40,-0.2 2,-0.4 -0.996 49.9-159.5-146.1 147.3 -6.0 9.3 41.5 30 30 A I E -EF 43 68B 0 38,-2.1 38,-3.6 -2,-0.3 2,-0.4 -0.989 12.8-169.4-123.9 130.8 -9.0 11.2 40.1 31 31 A E E +EF 42 67B 50 11,-2.8 11,-2.4 -2,-0.4 2,-0.3 -0.994 17.0 159.4-122.0 129.0 -11.4 13.1 42.5 32 32 A L E -EF 41 66B 1 34,-2.0 34,-2.1 -2,-0.4 2,-0.3 -0.953 29.9-139.0-144.3 162.4 -14.7 14.5 41.3 33 33 A S E + F 0 65B 2 7,-1.4 6,-2.9 -2,-0.3 2,-0.3 -0.934 28.9 170.9-122.1 149.9 -18.0 15.7 42.5 34 34 A Y E +EF 38 64B 51 30,-1.7 30,-2.5 -2,-0.3 4,-0.2 -0.960 26.0 143.6-151.7 169.4 -21.4 14.9 40.9 35 35 A K S S- 0 0 125 2,-1.4 79,-0.1 -2,-0.3 28,-0.1 -0.381 96.6 -14.3-166.7-104.1 -25.2 15.0 41.0 36 36 A E S S+ 0 0 99 78,-0.2 79,-0.3 -2,-0.1 2,-0.3 0.410 141.9 10.8 -92.1 0.3 -27.1 15.7 37.7 37 37 A A S S- 0 0 0 77,-0.1 -2,-1.4 79,-0.1 2,-0.5 -0.917 96.4 -78.8-158.2 176.8 -23.7 16.9 36.2 38 38 A I E +E 34 0B 0 59,-2.7 103,-2.6 103,-0.3 -4,-0.3 -0.805 44.8 171.1 -92.0 129.1 -20.0 16.9 37.0 39 39 A G E + 0 0 0 -6,-2.9 -1,-0.2 -2,-0.5 -5,-0.1 0.755 56.2 24.1 -94.6 -95.7 -18.9 19.6 39.5 40 40 A S E - 0 0 10 19,-0.2 -7,-1.4 21,-0.1 2,-0.3 -0.289 57.2-176.2 -73.8 156.9 -15.3 19.3 40.8 41 41 A F E +EG 32 57B 0 16,-1.1 16,-0.9 -9,-0.2 2,-0.3 -0.893 12.1 158.9-156.7 121.0 -12.4 17.6 39.0 42 42 A C E -EG 31 56B 10 -11,-2.4 -11,-2.8 -2,-0.3 2,-0.4 -0.984 20.5-152.0-144.6 145.4 -8.9 17.2 40.6 43 43 A V E -E 30 0B 3 12,-0.5 11,-3.0 -2,-0.3 2,-0.7 -0.968 12.4-152.0-127.4 139.0 -6.2 14.8 39.7 44 44 A I E -EG 29 53B 40 -15,-3.0 -16,-2.4 -2,-0.4 -15,-2.2 -0.940 32.5-163.0-101.1 112.5 -3.3 13.2 41.7 45 45 A Y E -EG 27 52B 0 7,-2.8 7,-2.7 -2,-0.7 2,-0.5 -0.557 21.1-118.5 -90.6 161.6 -0.6 12.5 39.0 46 46 A D E -EG 26 51B 1 -20,-2.3 -21,-2.5 5,-0.2 -20,-1.3 -0.856 27.9-174.5 -93.0 133.5 2.4 10.3 39.0 47 47 A L E > S- G 0 50B 11 3,-2.9 3,-1.4 -2,-0.5 279,-0.1 -0.880 71.8 -38.8-131.2 93.1 5.6 12.4 38.6 48 48 A N T 3 S- 0 0 46 -2,-0.4 3,-0.1 1,-0.3 274,-0.1 0.856 124.0 -39.8 57.6 46.3 8.6 10.1 38.2 49 49 A G T 3 S+ 0 0 41 1,-0.2 2,-0.3 24,-0.0 -1,-0.3 0.269 122.4 94.9 92.4 -8.8 7.4 7.6 40.9 50 50 A E E < S-G 47 0B 147 -3,-1.4 -3,-2.9 1,-0.0 -1,-0.2 -0.848 80.3-103.0-114.9 152.4 6.0 10.2 43.4 51 51 A S E -G 46 0B 78 -2,-0.3 -5,-0.2 -5,-0.2 -24,-0.0 -0.477 35.9-174.7 -71.6 132.9 2.5 11.6 43.9 52 52 A F E -G 45 0B 55 -7,-2.7 -7,-2.8 -2,-0.2 2,-0.3 -0.927 17.4-140.9-133.7 111.8 2.0 15.1 42.5 53 53 A P E -G 44 0B 79 0, 0.0 -9,-0.2 0, 0.0 3,-0.1 -0.552 17.0-144.5 -77.9 128.7 -1.3 16.8 43.1 54 54 A G E - 0 0 7 -11,-3.0 -33,-0.0 -2,-0.3 -32,-0.0 -0.313 40.0 -69.6 -77.0 173.1 -2.5 18.8 40.1 55 55 A P E - 0 0 71 0, 0.0 -12,-0.5 0, 0.0 2,-0.3 -0.282 56.3-112.5 -60.9 151.7 -4.4 22.1 40.5 56 56 A K E -G 42 0B 125 -14,-0.1 -14,-0.2 -3,-0.1 2,-0.2 -0.627 22.3-166.3 -86.2 141.4 -7.9 21.8 42.0 57 57 A H E -G 41 0B 19 -16,-0.9 -16,-1.1 -2,-0.3 2,-0.1 -0.615 29.3-179.6-127.7 66.3 -10.9 22.6 39.8 58 58 A T - 0 0 89 -18,-0.2 2,-0.4 -2,-0.2 -18,-0.0 -0.387 23.1-149.7 -78.4 144.0 -13.4 22.7 42.6 59 59 A S - 0 0 16 2,-0.1 -19,-0.2 -2,-0.1 4,-0.2 -0.943 9.8-149.5-109.6 138.1 -17.1 23.4 42.4 60 60 A K + 0 0 171 -2,-0.4 -1,-0.1 -21,-0.1 80,-0.1 0.600 63.8 118.5 -79.0 -15.0 -18.9 25.1 45.3 61 61 A L S S- 0 0 43 78,-0.5 2,-2.2 1,-0.1 -2,-0.1 -0.183 80.1-112.1 -52.2 136.8 -22.1 23.1 44.4 62 62 A P + 0 0 121 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.499 66.1 145.8 -79.4 78.1 -23.3 20.7 47.1 63 63 A Y - 0 0 36 -2,-2.2 2,-0.4 -4,-0.2 -28,-0.2 -0.642 55.9 -91.4-109.9 165.1 -22.5 17.5 45.2 64 64 A K E -F 34 0B 137 -30,-2.5 -30,-1.7 -2,-0.2 2,-0.2 -0.694 39.6-136.5 -81.3 130.0 -21.3 14.0 46.2 65 65 A N E -F 33 0B 116 -2,-0.4 2,-0.3 -32,-0.2 -32,-0.2 -0.562 21.6-173.5 -84.4 146.9 -17.5 13.6 46.3 66 66 A V E -F 32 0B 22 -34,-2.1 -34,-2.0 -2,-0.2 2,-0.5 -0.993 14.4-151.7-142.9 137.7 -15.8 10.5 44.8 67 67 A K E -F 31 0B 130 -2,-0.3 2,-0.7 -36,-0.2 -36,-0.2 -0.967 5.1-161.1-113.9 123.1 -12.1 9.3 44.8 68 68 A I E -F 30 0B 0 -38,-3.6 -38,-2.1 -2,-0.5 2,-0.7 -0.927 12.9-169.1-102.1 101.0 -11.0 7.0 41.9 69 69 A E E -F 29 0B 102 -2,-0.7 2,-0.3 -40,-0.2 -40,-0.2 -0.872 2.9-161.3 -99.7 112.9 -7.8 5.3 43.2 70 70 A L - 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