==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 02-MAY-11 3RS6 . COMPND 2 MOLECULE: LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA VIRGATA; . AUTHOR C.A.A.GADELHA,T.SANTI-GADELHA,C.S.NAGANO,E.H.S.BEZERRA,M.J.B . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 67.2 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 . 99 42.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.3 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 23 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 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 3 0 1 2 2 2 2 1 0 1 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 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 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 A 0 0 131 0, 0.0 228,-0.0 0, 0.0 214,-0.0 0.000 360.0 360.0 360.0 169.3 28.5 20.3 1.3 2 2 A D - 0 0 39 214,-0.2 2,-0.5 226,-0.1 209,-0.0 -0.266 360.0-124.4 -58.1 161.9 25.4 18.1 1.5 3 3 A T - 0 0 40 2,-0.0 209,-0.9 26,-0.0 2,-0.4 -0.978 36.3-169.4-110.9 125.5 22.1 19.3 0.3 4 4 A I E +A 211 0A 1 -2,-0.5 26,-3.6 207,-0.2 2,-0.4 -0.930 25.2 175.5-124.7 132.5 19.6 19.0 3.2 5 5 A V E +AB 210 29A 3 205,-2.3 205,-2.7 -2,-0.4 2,-0.3 -0.995 28.4 163.6-123.3 131.1 15.8 19.4 3.4 6 6 A A E -AB 209 28A 2 22,-2.9 22,-3.4 -2,-0.4 2,-0.6 -0.995 42.3-139.5-145.2 161.2 14.6 18.5 6.9 7 7 A V E -AB 208 27A 2 201,-2.9 201,-1.8 -2,-0.3 2,-0.4 -0.978 35.4-157.6-112.6 121.0 11.7 18.8 9.3 8 8 A E E -AB 207 26A 0 18,-2.7 18,-2.2 -2,-0.6 2,-0.7 -0.833 22.2-158.3-108.7 140.6 13.3 19.5 12.7 9 9 A L E -AB 206 25A 0 197,-3.3 197,-2.0 -2,-0.4 2,-1.0 -0.940 27.7-167.2-108.6 97.4 11.7 18.8 16.0 10 10 A D E +AB 205 24A 0 14,-2.9 14,-2.4 -2,-0.7 195,-0.2 -0.767 19.0 178.3-106.6 101.8 13.9 21.3 17.8 11 11 A S + 0 0 3 193,-1.1 194,-0.2 -2,-1.0 -1,-0.2 0.681 65.2 59.8 -74.8 -18.8 13.7 20.9 21.5 12 12 A Y S S- 0 0 57 192,-1.0 2,-0.9 12,-0.1 -1,-0.1 -0.946 77.2-133.5-125.1 124.5 16.2 23.7 22.3 13 13 A P - 0 0 32 0, 0.0 2,-1.2 0, 0.0 3,-0.1 -0.617 18.6-176.5 -84.5 108.9 15.9 27.3 21.4 14 14 A N > > + 0 0 18 -2,-0.9 5,-2.0 1,-0.2 3,-1.8 -0.737 8.6 173.5 -93.8 80.6 19.2 28.6 19.9 15 15 A T G > 5S+ 0 0 88 -2,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.782 71.0 68.1 -69.1 -19.4 18.0 32.1 19.6 16 16 A D G 3 5S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.660 105.9 41.2 -73.1 -14.5 21.6 33.2 18.6 17 17 A I G < 5S- 0 0 6 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.043 132.2 -86.8-118.9 28.4 21.1 31.2 15.3 18 18 A G T < 5S+ 0 0 48 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.456 77.0 143.6 94.2 3.9 17.6 32.2 14.6 19 19 A D < - 0 0 9 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.475 57.4-109.0 -63.9 148.6 15.5 29.7 16.6 20 20 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.263 39.3 -99.8 -65.1 171.3 12.5 31.1 18.1 21 21 A S S S+ 0 0 89 -6,-0.1 -6,-0.0 -7,-0.1 -2,-0.0 0.219 101.1 53.7 -86.7 21.6 12.7 31.3 21.8 22 22 A Y S S- 0 0 63 -10,-0.1 -10,-0.1 -8,-0.0 -8,-0.1 -0.948 102.0 -76.6-144.6 159.3 10.8 28.2 22.5 23 23 A P + 0 0 36 0, 0.0 17,-2.8 0, 0.0 2,-0.3 -0.342 65.1 167.9 -53.5 145.0 10.9 24.5 21.4 24 24 A H E -BC 10 39A 0 -14,-2.4 -14,-2.9 15,-0.3 2,-0.3 -0.976 39.2-120.0-156.2 163.4 9.6 24.4 17.9 25 25 A I E +BC 9 38A 0 13,-2.5 13,-2.1 -2,-0.3 2,-0.3 -0.834 39.5 178.0-106.6 154.4 9.2 22.4 14.8 26 26 A G E -BC 8 37A 0 -18,-2.2 -18,-2.7 -2,-0.3 2,-0.5 -0.987 32.1-127.9-151.7 159.6 10.6 23.7 11.6 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.7 -2,-0.3 9,-1.0 -0.963 27.6-163.1-113.8 129.4 11.2 23.1 8.0 28 28 A D E -B 6 0A 0 -22,-3.4 -22,-2.9 -2,-0.5 2,-0.6 -0.935 11.1-173.7-119.1 125.7 14.7 23.5 7.0 29 29 A I E S-B 5 0A 15 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.942 78.8 -37.0-121.7 98.4 15.7 24.0 3.4 30 30 A K S S+ 0 0 132 -26,-3.6 2,-0.3 -2,-0.6 -25,-0.1 0.643 127.8 73.5 62.3 20.3 19.5 23.9 3.1 31 31 A S S S- 0 0 7 -27,-0.2 -2,-0.2 -25,-0.1 4,-0.2 -0.933 76.2-135.7-158.3 144.2 19.8 25.8 6.3 32 32 A V S S+ 0 0 1 201,-0.6 2,-1.2 199,-0.4 200,-0.1 0.683 92.9 89.4 -64.8 -19.0 19.5 25.1 10.1 33 33 A R S S- 0 0 100 200,-0.4 -4,-0.3 -4,-0.1 -15,-0.1 -0.734 90.7-128.8 -87.5 95.5 17.6 28.5 10.1 34 34 A S - 0 0 26 -2,-1.2 -6,-0.3 1,-0.1 3,-0.1 -0.094 9.0-143.2 -50.9 141.1 14.1 27.1 9.4 35 35 A K S S+ 0 0 99 -8,-2.7 2,-0.3 1,-0.3 -7,-0.2 0.681 91.0 7.9 -74.4 -21.4 12.1 28.6 6.6 36 36 A S E S-C 27 0A 25 -9,-1.0 -9,-2.3 41,-0.1 2,-0.3 -0.966 71.1-179.4-157.9 149.1 9.1 28.1 8.8 37 37 A T E -C 26 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.924 10.2-159.1-145.0 162.0 8.6 27.1 12.4 38 38 A A E -C 25 0A 21 -13,-2.1 -13,-2.5 -2,-0.3 37,-0.1 -0.984 37.5 -96.5-143.1 142.6 5.7 26.5 14.8 39 39 A R E -C 24 0A 153 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.3 -0.347 38.7-155.4 -60.3 136.4 5.8 26.5 18.5 40 40 A W - 0 0 1 -17,-2.8 2,-1.8 -30,-0.2 -1,-0.1 -0.951 12.7-151.0-123.3 111.9 6.1 23.0 19.8 41 41 A N - 0 0 100 -2,-0.6 -17,-0.1 -19,-0.1 -2,-0.0 -0.628 28.4-154.6 -80.1 83.9 4.8 22.2 23.2 42 42 A M - 0 0 20 -2,-1.8 2,-0.6 1,-0.1 25,-0.0 -0.368 6.2-152.6 -65.5 140.1 7.3 19.4 23.7 43 43 A Q > - 0 0 47 3,-0.2 3,-2.2 152,-0.0 152,-0.3 -0.858 12.2-147.3-121.6 90.6 6.2 16.7 26.2 44 44 A T T 3 S+ 0 0 57 -2,-0.6 152,-0.2 1,-0.3 3,-0.1 -0.211 81.3 18.2 -58.1 140.7 9.2 15.1 27.7 45 45 A G T 3 S+ 0 0 40 150,-3.7 2,-0.3 1,-0.2 -1,-0.3 0.468 101.6 104.7 78.7 -2.1 8.8 11.5 28.5 46 46 A K S < S- 0 0 127 -3,-2.2 149,-0.6 149,-0.4 2,-0.3 -0.898 78.0-110.3-109.9 153.0 5.7 11.0 26.2 47 47 A V E -H 194 0B 68 -2,-0.3 21,-0.5 147,-0.1 2,-0.3 -0.510 38.5-163.5 -83.0 129.1 5.8 9.2 22.9 48 48 A G E -HI 193 67B 0 145,-3.1 145,-2.3 -2,-0.3 2,-0.4 -0.751 8.0-149.2-108.3 167.3 5.3 11.7 20.0 49 49 A T E -HI 192 66B 34 17,-2.3 17,-3.0 -2,-0.3 2,-0.4 -0.997 7.1-164.4-136.4 136.0 4.4 11.1 16.4 50 50 A A E -HI 191 65B 0 141,-3.0 141,-1.9 -2,-0.4 2,-0.4 -0.972 1.5-168.9-121.6 137.5 5.5 13.2 13.4 51 51 A H E -HI 190 64B 84 13,-2.6 13,-2.3 -2,-0.4 2,-0.4 -0.999 7.6-175.2-125.6 128.8 3.9 13.0 10.0 52 52 A I E +HI 189 63B 2 137,-3.3 137,-2.9 -2,-0.4 2,-0.3 -0.969 6.5 174.1-127.1 138.7 5.6 14.7 7.2 53 53 A S E +HI 188 62B 37 9,-2.4 9,-2.7 -2,-0.4 2,-0.3 -0.996 8.4 165.4-144.3 155.6 4.2 15.0 3.6 54 54 A Y E -H 187 0B 5 133,-2.5 133,-2.7 -2,-0.3 2,-0.4 -0.968 9.5-172.4-159.2 145.8 4.9 16.6 0.4 55 55 A N E >> -H 186 0B 55 -2,-0.3 4,-2.7 5,-0.3 5,-0.6 -0.990 29.8-127.7-140.1 157.0 3.9 16.4 -3.2 56 56 A S T 45S+ 0 0 2 129,-3.1 130,-0.1 -2,-0.4 26,-0.1 0.475 104.9 52.8 -78.7 -7.3 5.4 18.2 -6.1 57 57 A V T 45S+ 0 0 102 128,-0.2 -1,-0.2 3,-0.1 129,-0.1 0.867 118.3 33.9 -88.1 -49.7 2.1 19.6 -7.4 58 58 A A T 45S- 0 0 63 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.852 91.8-158.8 -67.7 -33.0 1.0 21.2 -4.2 59 59 A K T <5 + 0 0 77 -4,-2.7 20,-1.7 1,-0.2 2,-0.4 0.903 44.8 130.5 49.7 46.2 4.7 22.0 -3.4 60 60 A R E < - J 0 78B 135 -5,-0.6 2,-0.6 18,-0.3 -5,-0.3 -0.944 46.0-157.1-129.8 112.7 3.9 22.3 0.3 61 61 A L E + J 0 77B 2 16,-2.6 16,-1.9 -2,-0.4 2,-0.3 -0.769 24.2 179.0 -85.4 126.7 6.1 20.4 2.7 62 62 A S E -IJ 53 76B 30 -9,-2.7 -9,-2.4 -2,-0.6 2,-0.3 -0.904 15.3-173.5-131.8 156.2 4.1 19.9 5.9 63 63 A A E -IJ 52 75B 2 12,-2.6 12,-2.3 -2,-0.3 2,-0.4 -0.998 5.0-168.2-140.9 152.2 4.7 18.3 9.2 64 64 A V E -IJ 51 74B 36 -13,-2.3 -13,-2.6 -2,-0.3 2,-0.5 -0.998 4.1-167.5-140.5 132.5 2.6 17.6 12.3 65 65 A V E +IJ 50 73B 0 8,-2.9 8,-2.8 -2,-0.4 2,-0.3 -0.995 19.2 172.1-119.3 125.6 4.0 16.5 15.5 66 66 A S E -IJ 49 72B 31 -17,-3.0 -17,-2.3 -2,-0.5 2,-0.4 -0.939 28.8-155.1-134.0 162.3 1.5 15.2 18.1 67 67 A Y E >> -IJ 48 71B 6 4,-2.3 3,-2.0 -2,-0.3 4,-1.6 -0.990 49.3 -88.4-129.8 140.2 1.2 13.5 21.4 68 68 A T T 34 S- 0 0 146 -21,-0.5 4,-0.0 -2,-0.4 -21,-0.0 -0.158 103.2 -10.9 -56.3 131.6 -2.0 11.6 22.2 69 69 A G T 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.329 128.0 68.8 66.8 -5.0 -4.7 13.8 23.7 70 70 A S T <4 S- 0 0 65 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.805 97.2 -13.8-115.8 -39.8 -2.4 16.7 24.3 71 71 A S E < -J 67 0B 28 -4,-1.6 -4,-2.3 2,-0.0 2,-0.4 -0.991 32.3-162.4-164.0 156.5 -1.1 18.6 21.3 72 72 A S E -J 66 0B 79 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.949 16.8-168.4-143.9 116.7 -0.7 18.7 17.6 73 73 A T E -J 65 0B 13 -8,-2.8 -8,-2.9 -2,-0.4 2,-0.4 -0.920 8.3-170.3-111.4 132.5 1.8 21.2 16.2 74 74 A T E +J 64 0B 87 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.929 10.9 177.5-128.8 145.5 1.9 21.8 12.5 75 75 A V E -J 63 0B 10 -12,-2.3 -12,-2.6 -2,-0.4 2,-0.3 -0.982 4.9-177.1-145.1 142.4 4.2 23.6 10.2 76 76 A S E -J 62 0B 54 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.944 4.3-172.2-137.5 151.7 4.1 24.0 6.4 77 77 A Y E -J 61 0B 77 -16,-1.9 -16,-2.6 -2,-0.3 2,-0.6 -0.951 23.7-129.1-148.4 132.7 6.3 25.6 3.9 78 78 A D E +J 60 0B 89 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.724 48.4 140.7 -82.1 129.7 5.8 26.2 0.3 79 79 A V - 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