==== 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 SUGAR BINDING PROTEIN 20-AUG-04 1X99 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XEROCOMUS CHRYSENTERON; . AUTHOR C.BIRCK,L.DAMIAN,C.MARTY-DETRAVES,A.LOUGARRE,C.SCHULZE-BRIES . 288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 36.8 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 1.4 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-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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 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 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 4 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 2 0 1 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 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.3 38.8 6.3 -7.2 2 2 A H - 0 0 176 47,-0.2 2,-0.3 1,-0.1 48,-0.0 -0.628 360.0-105.1 -87.0 148.6 35.8 4.5 -6.0 3 3 A X - 0 0 116 -2,-0.3 48,-0.3 1,-0.0 2,-0.2 -0.577 33.8-139.4 -71.1 130.8 33.2 6.1 -3.6 4 4 A S - 0 0 56 -2,-0.3 2,-0.4 46,-0.1 45,-0.2 -0.542 12.8-154.1 -84.1 154.4 33.5 4.8 -0.0 5 5 A Y E -A 48 0A 12 43,-1.5 43,-3.1 -2,-0.2 2,-0.3 -0.989 6.3-166.4-129.2 143.2 30.4 4.0 2.1 6 6 A S E -Ab 47 137A 19 130,-2.5 132,-2.6 -2,-0.4 2,-0.4 -0.957 4.0-164.4-125.7 146.0 30.0 4.0 5.8 7 7 A I E -Ab 46 138A 0 39,-2.3 39,-2.8 -2,-0.3 2,-0.5 -0.989 7.6-161.2-128.8 123.8 27.1 2.6 8.0 8 8 A T E -Ab 45 139A 20 130,-2.3 132,-2.6 -2,-0.4 2,-0.4 -0.923 8.6-164.2-110.8 124.0 26.9 3.7 11.6 9 9 A L E -Ab 44 140A 1 35,-3.4 35,-2.7 -2,-0.5 2,-0.4 -0.874 9.5-169.4-112.3 136.1 24.8 1.6 14.0 10 10 A R E - b 0 141A 93 130,-1.7 132,-2.7 -2,-0.4 2,-0.5 -0.989 20.0-136.6-121.5 136.9 23.4 2.4 17.5 11 11 A V E - b 0 142A 47 31,-0.4 2,-0.5 -2,-0.4 132,-0.2 -0.816 15.3-169.9-102.0 126.9 21.9 -0.4 19.6 12 12 A Y E - b 0 143A 118 130,-3.1 132,-2.9 -2,-0.5 2,-0.5 -0.956 1.4-170.4-113.4 124.4 18.7 0.0 21.6 13 13 A Q E + b 0 144A 57 -2,-0.5 132,-0.2 130,-0.2 3,-0.1 -0.981 14.3 163.9-118.0 125.2 17.8 -2.7 24.1 14 14 A T + 0 0 63 130,-1.9 2,-0.5 -2,-0.5 131,-0.2 0.596 49.9 63.6-120.9 -16.3 14.3 -2.3 25.4 15 15 A N > - 0 0 45 129,-0.3 3,-1.9 4,-0.2 -1,-0.2 -0.919 50.9-163.6-127.4 108.4 13.1 -5.5 27.1 16 16 A R G > S+ 0 0 203 -2,-0.5 3,-1.9 1,-0.3 -1,-0.1 0.786 88.3 70.9 -59.6 -27.1 14.8 -7.0 30.2 17 17 A D G 3 S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.0 3,-0.1 0.725 91.7 58.6 -62.6 -21.4 13.1 -10.3 29.5 18 18 A R G < S- 0 0 71 -3,-1.9 45,-0.4 1,-0.3 -1,-0.3 0.420 109.5-126.6 -83.4 2.3 15.3 -10.9 26.5 19 19 A G < - 0 0 12 -3,-1.9 2,-0.5 -4,-0.1 -1,-0.3 -0.238 40.7 -60.1 68.4-173.9 18.4 -10.7 28.6 20 20 A Y - 0 0 153 -3,-0.1 42,-1.1 -7,-0.0 2,-0.3 -0.917 49.3-142.5-113.6 128.0 21.1 -8.3 27.6 21 21 A F E +F 61 0B 4 -2,-0.5 2,-0.3 40,-0.2 40,-0.2 -0.643 18.8 177.8 -91.2 142.7 22.9 -8.5 24.3 22 22 A S E -F 60 0B 68 38,-1.9 38,-2.4 -2,-0.3 2,-0.3 -0.968 37.2 -98.1-135.7 156.4 26.6 -7.8 23.6 23 23 A I E +F 59 0B 32 -2,-0.3 36,-0.3 36,-0.2 3,-0.1 -0.562 37.4 171.3 -75.2 132.3 28.7 -8.0 20.5 24 24 A V E + 0 0 5 34,-3.1 157,-2.3 1,-0.4 2,-0.3 0.440 65.5 16.2-118.0 -6.3 30.7 -11.3 20.2 25 25 A E E -F 58 0B 0 33,-1.2 33,-2.3 155,-0.1 -1,-0.4 -0.954 53.0-165.0-166.4 146.7 32.0 -11.0 16.6 26 26 A K E -FG 57 170B 4 144,-2.5 144,-2.6 -2,-0.3 2,-0.3 -0.949 18.9-179.3-141.3 116.9 32.5 -8.3 13.9 27 27 A T E -F 56 0B 0 29,-2.2 29,-1.9 -2,-0.4 2,-0.4 -0.816 15.9-156.8-119.3 158.4 33.2 -9.3 10.3 28 28 A V E -F 55 0B 0 -2,-0.3 209,-0.4 27,-0.2 27,-0.2 -0.997 20.1-129.6-134.1 129.0 33.9 -7.6 7.0 29 29 A W - 0 0 10 25,-2.6 25,-0.1 -2,-0.4 207,-0.1 -0.415 18.6-128.2 -76.3 152.6 33.3 -9.1 3.5 30 30 A H S S+ 0 0 62 -2,-0.1 3,-0.5 4,-0.1 4,-0.2 0.464 71.0 101.4 -92.6 -2.8 36.2 -8.9 1.0 31 31 A F S > S+ 0 0 70 1,-0.2 3,-1.8 2,-0.2 18,-0.3 -0.289 78.1 28.5 -71.1 165.2 34.5 -7.4 -2.1 32 32 A A T 3 S- 0 0 34 1,-0.3 17,-0.2 20,-0.1 -1,-0.2 0.813 138.0 -56.9 56.0 37.8 34.9 -3.7 -2.9 33 33 A N T 3 S- 0 0 87 -3,-0.5 -1,-0.3 16,-0.1 -2,-0.2 0.679 86.2-106.7 66.6 23.2 38.3 -3.4 -1.3 34 34 A G < - 0 0 0 -3,-1.8 15,-2.6 199,-0.2 16,-0.3 -0.269 38.9-139.0 66.7-148.2 37.0 -4.6 2.1 35 35 A G E -C 48 0A 10 197,-0.7 2,-0.3 13,-0.3 13,-0.2 -0.967 4.0-112.2 168.2-175.6 36.5 -2.3 5.1 36 36 A T E -C 47 0A 17 11,-2.1 11,-2.8 -2,-0.3 2,-0.3 -0.986 13.9-129.0-147.4 148.4 36.8 -1.9 8.8 37 37 A W E +C 46 0A 1 131,-2.2 2,-0.3 -2,-0.3 9,-0.2 -0.800 28.3 177.2 -94.0 145.2 34.7 -1.6 12.0 38 38 A S E -C 45 0A 54 7,-2.1 7,-2.3 -2,-0.3 2,-0.4 -0.928 19.2-138.3-139.1 164.2 35.3 1.2 14.5 39 39 A E E +C 44 0A 122 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.992 28.8 154.3-126.8 133.4 33.7 2.3 17.7 40 40 A A E > -C 43 0A 63 3,-2.2 3,-2.8 -2,-0.4 -2,-0.1 -0.963 65.6 -2.5-156.7 141.4 32.9 5.9 18.8 41 41 A N T 3 S- 0 0 97 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.809 127.7 -58.2 50.1 33.0 30.4 7.7 21.1 42 42 A G T 3 S+ 0 0 70 1,-0.3 -31,-0.4 -32,-0.0 -1,-0.3 0.548 116.0 112.3 72.8 11.0 28.8 4.3 21.7 43 43 A A E < - C 0 40A 3 -3,-2.8 -3,-2.2 -33,-0.1 2,-0.5 -0.760 61.6-133.3-112.2 158.4 28.1 3.7 18.0 44 44 A H E -AC 9 39A 26 -35,-2.7 -35,-3.4 -2,-0.3 2,-0.5 -0.959 19.4-164.0-118.8 121.2 29.6 1.1 15.6 45 45 A T E -AC 8 38A 25 -7,-2.3 -7,-2.1 -2,-0.5 2,-0.6 -0.926 8.8-162.2-114.3 126.6 30.7 2.3 12.2 46 46 A L E -AC 7 37A 0 -39,-2.8 -39,-2.3 -2,-0.5 2,-0.5 -0.926 11.6-165.8 -98.8 119.1 31.5 -0.0 9.2 47 47 A T E -AC 6 36A 48 -11,-2.8 -11,-2.1 -2,-0.6 2,-0.3 -0.938 8.7-167.4-108.9 130.0 33.6 1.8 6.6 48 48 A X E -AC 5 35A 2 -43,-3.1 -43,-1.5 -2,-0.5 -13,-0.3 -0.898 28.3-130.0-123.6 149.8 33.8 0.1 3.2 49 49 A G S S- 0 0 27 -15,-2.6 2,-0.3 -2,-0.3 -47,-0.2 0.508 82.5 -27.2 -77.2 -5.8 36.0 0.6 0.2 50 50 A G S > S- 0 0 4 -16,-0.3 3,-0.5 -45,-0.2 23,-0.2 -0.954 83.3 -58.5 176.4 172.0 33.1 0.8 -2.3 51 51 A S T 3 S+ 0 0 31 -48,-0.3 23,-0.2 -2,-0.3 3,-0.1 -0.482 104.4 56.9 -64.4 143.0 29.6 -0.3 -3.1 52 52 A G T 3 S+ 0 0 22 21,-2.1 2,-0.2 1,-0.4 -1,-0.2 0.551 87.7 80.0 110.1 12.6 29.2 -4.1 -3.1 53 53 A T < - 0 0 0 -3,-0.5 20,-1.9 20,-0.4 -1,-0.4 -0.663 48.0-174.3-134.4-168.2 30.3 -5.3 0.2 54 54 A S E - H 0 72B 0 18,-0.2 -25,-2.6 -2,-0.2 2,-0.3 -0.961 11.1-142.1-169.8 174.8 29.1 -5.6 3.8 55 55 A G E -FH 28 71B 0 16,-2.3 16,-2.3 -2,-0.3 2,-0.4 -0.947 13.0-139.8-152.8 171.9 29.9 -6.5 7.4 56 56 A X E -FH 27 70B 0 -29,-1.9 -29,-2.2 -2,-0.3 2,-0.5 -0.985 6.8-155.5-141.0 143.8 28.2 -8.1 10.3 57 57 A L E -FH 26 69B 0 12,-2.4 12,-2.7 -2,-0.4 2,-0.5 -0.988 15.7-157.4-111.4 128.0 27.8 -7.9 14.0 58 58 A R E -FH 25 68B 0 -33,-2.3 -34,-3.1 -2,-0.5 -33,-1.2 -0.921 12.6-165.0-102.3 134.8 27.0 -11.1 15.9 59 59 A F E -FH 23 67B 3 8,-3.2 8,-2.2 -2,-0.5 2,-0.4 -0.880 9.8-167.4-115.3 147.9 25.3 -10.6 19.3 60 60 A X E -FH 22 66B 44 -38,-2.4 -38,-1.9 -2,-0.3 6,-0.2 -0.999 15.2-140.7-133.2 136.7 24.8 -13.0 22.2 61 61 A S E > -F 21 0B 6 4,-2.1 3,-2.1 -2,-0.4 -40,-0.2 -0.444 30.4-106.2 -87.4 166.2 22.5 -12.3 25.2 62 62 A T T 3 S+ 0 0 111 -42,-1.1 -43,-0.1 1,-0.3 -41,-0.1 0.593 124.7 56.8 -61.6 -14.0 23.0 -13.1 28.8 63 63 A K T 3 S- 0 0 148 -45,-0.4 -1,-0.3 2,-0.1 -44,-0.1 0.238 123.6-105.8-100.0 8.5 20.5 -15.9 28.2 64 64 A G < + 0 0 34 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.654 67.2 149.5 80.9 17.2 22.6 -17.4 25.4 65 65 A E - 0 0 16 -47,-0.2 -4,-2.1 20,-0.0 2,-0.5 -0.734 31.6-154.7 -84.9 131.5 20.6 -16.3 22.4 66 66 A R E +H 60 0B 58 -2,-0.4 20,-1.5 20,-0.4 2,-0.3 -0.922 20.0 165.6-113.9 127.1 22.8 -15.7 19.3 67 67 A I E -H 59 0B 0 -8,-2.2 -8,-3.2 -2,-0.5 2,-0.4 -0.990 20.0-149.0-140.7 140.1 21.6 -13.2 16.5 68 68 A T E -HI 58 83B 0 15,-2.4 15,-2.1 -2,-0.3 2,-0.4 -0.915 2.0-160.8-112.8 145.7 23.5 -11.6 13.6 69 69 A V E -HI 57 82B 1 -12,-2.7 -12,-2.4 -2,-0.4 2,-0.4 -0.992 11.0-166.6-119.3 127.3 22.9 -8.2 12.0 70 70 A A E +HI 56 81B 0 11,-2.8 11,-1.8 -2,-0.4 2,-0.3 -0.940 9.2 174.6-115.7 136.5 24.3 -7.7 8.5 71 71 A V E +HI 55 80B 0 -16,-2.3 -16,-2.3 -2,-0.4 2,-0.3 -0.988 14.6 127.1-137.3 148.2 24.5 -4.3 6.8 72 72 A G E -HI 54 79B 0 7,-1.8 7,-2.3 -2,-0.3 2,-0.4 -0.951 49.9 -89.9-172.3-169.2 26.0 -3.2 3.5 73 73 A V E - I 0 78B 1 -20,-1.9 -21,-2.1 -2,-0.3 2,-0.4 -0.997 29.1-175.9-128.9 128.0 25.6 -1.5 0.2 74 74 A H E > S- I 0 77B 30 3,-3.0 3,-1.8 -2,-0.4 -2,-0.0 -0.994 76.3 -14.6-124.8 121.6 24.4 -3.1 -3.0 75 75 A N T 3 S- 0 0 107 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.900 129.5 -53.4 47.8 46.2 24.3 -1.2 -6.3 76 76 A Y T 3 S+ 0 0 159 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.461 120.0 101.0 73.5 8.4 24.7 2.1 -4.3 77 77 A K E < S-I 74 0B 112 -3,-1.8 -3,-3.0 57,-0.1 -1,-0.2 -0.927 74.6-107.3-123.7 145.7 21.8 1.5 -2.0 78 78 A R E -I 73 0B 45 55,-0.4 2,-0.3 -2,-0.4 -5,-0.2 -0.261 34.1-174.3 -66.2 154.6 21.8 0.2 1.6 79 79 A W E -I 72 0B 0 -7,-2.3 -7,-1.8 33,-0.2 2,-0.3 -0.954 4.1-179.0-140.8 162.7 20.8 -3.2 2.6 80 80 A C E +I 71 0B 0 -2,-0.3 2,-0.3 28,-0.3 33,-0.3 -0.983 4.8 178.5-155.4 162.5 20.3 -5.1 5.9 81 81 A D E -I 70 0B 4 -11,-1.8 -11,-2.8 -2,-0.3 2,-0.4 -0.964 14.2-149.5-160.9 154.4 19.2 -8.5 7.3 82 82 A V E -I 69 0B 5 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -0.999 8.3-165.0-129.9 133.0 18.9 -10.2 10.7 83 83 A V E +I 68 0B 15 -15,-2.1 -15,-2.4 -2,-0.4 2,-0.2 -0.982 13.0 179.5-119.1 126.0 19.4 -13.9 11.3 84 84 A T + 0 0 34 -2,-0.5 -17,-0.1 -17,-0.2 35,-0.0 -0.621 53.7 51.4-113.5 177.1 18.1 -15.5 14.5 85 85 A G S S+ 0 0 61 -19,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.766 71.9 173.5 70.1 28.3 18.1 -19.0 16.0 86 86 A L - 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