==== 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 4AKB . COMPND 2 MOLECULE: AGGLUTININ ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS INTEGER; . AUTHOR M.GABRIELSEN,P.S.ABDUL-RAHMAN,S.OTHMAN,O.H.HASHIM,R.J.COGDEL . 594 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 71.9 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 . 305 51.3 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), 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-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 . 69 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 . 4 4 1 11 4 8 4 4 1 3 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 8 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 G 0 0 82 0, 0.0 2,-0.6 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0-151.8 16.4 62.5 25.4 2 2 A K E -A 120 0A 140 118,-3.1 118,-1.9 119,-0.0 123,-0.1 -0.867 360.0-134.3 -99.8 123.2 13.6 62.4 22.7 3 3 A A E -A 119 0A 47 -2,-0.6 2,-0.3 116,-0.2 116,-0.3 -0.349 23.9-173.3 -71.2 147.1 11.5 59.3 22.4 4 4 A F E -A 118 0A 19 114,-2.6 114,-2.4 -2,-0.1 2,-0.3 -0.963 11.9-172.9-137.4 156.9 10.8 57.8 19.0 5 5 A D E -A 117 0A 87 -2,-0.3 112,-0.3 112,-0.2 -2,-0.0 -0.821 8.5-175.7-153.9 107.6 8.6 55.0 17.9 6 6 A D - 0 0 17 110,-2.6 111,-0.2 -2,-0.3 2,-0.1 0.720 35.5-146.4 -73.8 -25.3 8.7 53.7 14.3 7 7 A G - 0 0 5 109,-0.4 109,-0.4 179,-0.0 2,-0.3 -0.375 35.8 -38.8 86.0-164.7 5.8 51.3 14.8 8 8 A A + 0 0 20 107,-0.1 107,-0.2 -2,-0.1 2,-0.2 -0.750 55.3 166.3-104.5 142.2 5.5 47.9 13.1 9 9 A F - 0 0 15 105,-2.6 25,-0.2 -2,-0.3 3,-0.1 -0.471 47.9 -95.2-133.1-161.0 6.3 46.8 9.5 10 10 A T S S- 0 0 10 23,-2.6 279,-3.1 1,-0.3 2,-0.3 0.488 87.8 -41.9-105.5 -2.5 6.8 43.6 7.5 11 11 A G E -E 33 0B 1 22,-0.9 22,-2.1 103,-0.2 2,-0.4 -0.970 62.5 -80.9 166.1-171.1 10.5 43.2 7.8 12 12 A I E +E 32 0B 12 275,-0.3 20,-0.2 20,-0.3 3,-0.1 -0.984 29.2 168.4-126.2 130.3 13.9 45.0 7.7 13 13 A R E S+ 0 0 62 18,-2.9 45,-2.6 -2,-0.4 2,-0.3 0.771 71.2 1.8-106.2 -37.0 15.9 46.0 4.5 14 14 A E E -EF 31 57B 35 17,-2.1 17,-2.9 43,-0.2 2,-0.4 -0.998 49.9-153.5-152.7 148.7 18.6 48.3 6.0 15 15 A I E -EF 30 56B 1 41,-2.6 41,-3.4 -2,-0.3 2,-0.6 -0.996 12.5-169.7-123.4 123.1 19.9 49.8 9.3 16 16 A N E +EF 29 55B 32 13,-3.1 13,-2.2 -2,-0.4 2,-0.3 -0.972 22.8 156.4-112.2 112.1 21.7 53.1 9.1 17 17 A L E -EF 28 54B 4 37,-2.3 37,-2.7 -2,-0.6 2,-0.3 -0.903 29.2-144.0-132.7 168.2 23.3 54.0 12.4 18 18 A S E + F 0 53B 3 9,-2.0 8,-3.3 -2,-0.3 2,-0.3 -0.955 18.2 176.7-134.4 149.6 26.2 56.1 13.8 19 19 A Y E -EF 25 52B 51 33,-1.8 33,-3.5 -2,-0.3 2,-0.5 -0.978 25.7-138.1-146.8 161.2 28.6 55.6 16.7 20 20 A N > - 0 0 49 4,-1.6 3,-1.0 -2,-0.3 31,-0.1 -0.998 19.6-139.2-126.1 121.7 31.6 57.1 18.4 21 21 A K T 3 S+ 0 0 173 -2,-0.5 4,-0.1 1,-0.2 -1,-0.0 0.464 104.2 40.5 -58.2 -4.8 34.4 54.6 19.4 22 22 A E T 3 S+ 0 0 162 2,-0.1 -1,-0.2 76,-0.1 76,-0.0 0.546 126.0 22.3-118.9 -18.2 34.8 56.4 22.7 23 23 A T S < S- 0 0 33 -3,-1.0 2,-0.2 1,-0.3 75,-0.2 0.622 97.2 -79.4-114.0 -91.4 31.1 57.2 23.7 24 24 A A - 0 0 0 73,-0.1 -4,-1.6 48,-0.0 -1,-0.3 -0.841 59.6 -41.7-164.0-171.0 28.0 55.3 22.5 25 25 A I E -E 19 0B 0 56,-2.2 99,-2.1 -2,-0.2 -6,-0.3 -0.538 50.3-179.0 -72.6 137.5 25.5 54.9 19.6 26 26 A G E + 0 0 0 -8,-3.3 -1,-0.1 1,-0.3 -7,-0.1 0.720 53.4 18.7-100.0 -95.0 24.4 58.2 18.0 27 27 A D E - 0 0 40 18,-0.1 -9,-2.0 19,-0.1 -1,-0.3 -0.426 60.5-166.2 -83.5 154.0 21.9 58.3 15.2 28 28 A F E +EG 17 44B 3 16,-2.8 16,-2.5 -11,-0.2 2,-0.3 -0.950 13.9 161.2-148.0 125.8 19.5 55.4 14.4 29 29 A Q E -E 16 0B 13 -13,-2.2 -13,-3.1 -2,-0.3 2,-0.4 -0.998 17.3-156.5-147.2 141.3 17.5 54.9 11.2 30 30 A V E -E 15 0B 0 12,-0.5 11,-2.3 -2,-0.3 2,-0.8 -0.973 12.6-153.1-126.5 133.9 15.7 51.9 9.6 31 31 A V E -EH 14 40B 16 -17,-2.9 -18,-2.9 -2,-0.4 -17,-2.1 -0.920 33.9-165.2 -97.1 110.8 14.7 51.1 6.0 32 32 A Y E -EH 12 39B 0 7,-2.9 7,-3.1 -2,-0.8 2,-0.5 -0.497 21.3-118.5 -91.0 166.6 11.8 48.7 6.6 33 33 A D E -EH 11 38B 1 -22,-2.1 -23,-2.6 5,-0.2 -22,-0.9 -0.888 25.7-169.6 -99.1 138.1 10.0 46.4 4.2 34 34 A L E > S- H 0 37B 8 3,-3.0 3,-1.4 -2,-0.5 125,-0.0 -0.909 70.7 -40.3-130.3 98.8 6.3 47.3 3.9 35 35 A N T 3 S- 0 0 51 -2,-0.4 120,-0.1 1,-0.3 253,-0.0 0.838 125.5 -37.0 49.2 48.4 4.5 44.5 2.0 36 36 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 121,-0.0 121,-0.0 0.416 123.7 93.3 89.5 3.2 7.3 44.0 -0.5 37 37 A S E < S-H 34 0B 67 -3,-1.4 -3,-3.0 2,-0.0 -1,-0.2 -0.949 80.7-102.5-127.6 146.6 8.3 47.6 -0.9 38 38 A P E -H 33 0B 86 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.393 30.5-166.0 -62.5 139.3 11.0 49.7 0.9 39 39 A Y E -H 32 0B 85 -7,-3.1 -7,-2.9 -2,-0.1 2,-0.8 -0.946 15.2-140.6-128.6 111.1 9.7 52.0 3.5 40 40 A V E -H 31 0B 110 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.596 19.3-149.2 -75.0 106.7 12.2 54.7 4.6 41 41 A G - 0 0 7 -11,-2.3 -35,-0.0 -2,-0.8 -1,-0.0 -0.296 31.2 -84.9 -69.1 158.7 11.8 55.1 8.4 42 42 A E - 0 0 144 1,-0.1 2,-0.7 -13,-0.1 -12,-0.5 -0.320 41.9-114.9 -63.0 147.4 12.6 58.5 10.1 43 43 A N - 0 0 70 -14,-0.2 2,-0.6 -3,-0.1 -14,-0.2 -0.798 26.5-151.5 -87.0 114.8 16.2 59.2 10.9 44 44 A H B -G 28 0B 15 -16,-2.5 -16,-2.8 -2,-0.7 2,-0.4 -0.834 23.2-160.2 -90.5 118.9 16.4 59.5 14.7 45 45 A K - 0 0 130 -2,-0.6 -18,-0.1 -18,-0.2 75,-0.1 -0.857 19.9-121.0-114.7 147.4 19.3 61.8 15.5 46 46 A S - 0 0 14 -2,-0.4 76,-0.2 2,-0.2 77,-0.1 -0.365 25.7-127.2 -66.4 151.5 21.6 62.7 18.3 47 47 A F S S+ 0 0 153 74,-2.1 2,-0.2 -2,-0.1 75,-0.2 0.456 94.8 53.4 -80.0 -4.6 21.6 66.3 19.5 48 48 A I S S- 0 0 72 74,-0.3 -2,-0.2 73,-0.3 2,-0.2 -0.802 75.3-140.0-123.6 170.4 25.4 66.3 19.0 49 49 A T + 0 0 134 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.471 60.0 92.2-118.7-174.5 27.7 65.4 16.1 50 50 A G + 0 0 55 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.527 57.9 138.1 99.3 12.0 31.1 63.6 15.7 51 51 A F - 0 0 30 -3,-0.1 -1,-0.3 -31,-0.1 -31,-0.2 -0.576 54.1-124.5 -90.5 153.3 29.7 60.1 15.0 52 52 A T E -F 19 0B 69 -33,-3.5 -33,-1.8 -2,-0.2 -26,-0.2 -0.848 29.7-132.5 -94.0 120.2 30.9 57.6 12.4 53 53 A P E -F 18 0B 109 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.481 21.5-169.6 -77.5 149.1 28.1 56.5 10.1 54 54 A V E -F 17 0B 26 -37,-2.7 -37,-2.3 -2,-0.1 2,-0.5 -0.998 10.6-154.9-138.1 131.9 27.5 52.8 9.3 55 55 A K E -F 16 0B 129 -2,-0.3 2,-0.8 -39,-0.2 -39,-0.2 -0.957 4.5-168.8-110.3 116.0 25.2 51.3 6.6 56 56 A I E -F 15 0B 2 -41,-3.4 -41,-2.6 -2,-0.5 2,-0.7 -0.886 12.2-172.2-105.2 94.3 23.9 47.7 7.3 57 57 A S E -F 14 0B 68 -2,-0.8 2,-0.3 -43,-0.2 -43,-0.2 -0.860 7.6-156.0 -93.4 112.6 22.4 46.7 4.0 58 58 A L - 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