==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 22-OCT-07 2ZBJ . COMPND 2 MOLECULE: LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA ROSTRATA; . AUTHOR T.M.DE OLIVEIRA,P.DELATORRE,B.A.M.DA ROCHA,E.P.DE SOUSA, . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 66.8 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 . 96 41.4 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 . 2 0.9 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 . 26 11.2 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 . 3 1.3 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 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 3 0 1 2 3 3 0 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 . 1 0 0 0 0 1 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 A 0 0 132 0, 0.0 228,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-169.1 2.1 23.6 2.9 2 2 A D - 0 0 45 226,-0.1 2,-0.6 214,-0.1 209,-0.0 -0.325 360.0-124.3 -69.3 164.1 5.2 25.9 2.9 3 3 A T - 0 0 38 -2,-0.1 209,-0.8 2,-0.0 2,-0.4 -0.962 36.0-169.9-111.3 121.7 8.5 24.7 1.6 4 4 A I E +A 211 0A 2 -2,-0.6 26,-3.1 207,-0.2 2,-0.4 -0.922 25.9 176.9-121.4 130.6 11.2 25.0 4.3 5 5 A V E +AB 210 29A 3 205,-2.3 205,-2.5 -2,-0.4 2,-0.3 -0.997 28.9 170.4-115.5 128.4 15.0 24.7 4.4 6 6 A A E -AB 209 28A 2 22,-2.8 22,-3.4 -2,-0.4 2,-0.6 -0.989 39.8-146.8-141.2 150.5 16.3 25.6 7.9 7 7 A V E -AB 208 27A 2 201,-2.7 201,-1.8 -2,-0.3 2,-0.4 -0.987 35.2-158.8-102.5 114.6 19.4 25.5 10.1 8 8 A E E -AB 207 26A 0 18,-2.5 18,-2.0 -2,-0.6 2,-0.7 -0.793 23.2-159.0 -95.0 142.2 18.0 24.8 13.6 9 9 A L E -AB 206 25A 1 197,-3.0 197,-1.8 -2,-0.4 2,-0.8 -0.954 27.1-167.9-107.6 96.9 19.7 25.6 16.8 10 10 A D E +AB 205 24A 0 14,-2.9 14,-2.4 -2,-0.7 195,-0.2 -0.828 20.6 172.5-100.0 101.1 17.7 23.1 18.8 11 11 A S + 0 0 4 -2,-0.8 194,-0.2 193,-0.7 -1,-0.2 0.781 65.6 64.6 -77.1 -28.3 18.1 23.6 22.5 12 12 A Y S S- 0 0 64 192,-1.3 2,-0.5 12,-0.1 -1,-0.1 -0.877 76.4-142.4-104.2 108.6 15.4 21.1 23.5 13 13 A P - 0 0 32 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.584 17.6-177.5 -71.5 115.6 15.9 17.4 22.6 14 14 A N > > + 0 0 6 -2,-0.5 3,-2.2 1,-0.2 5,-1.6 -0.802 3.3 177.7-110.0 80.8 12.5 15.8 21.7 15 15 A T G > 5S+ 0 0 79 -2,-0.6 3,-1.9 1,-0.3 -1,-0.2 0.801 73.7 71.3 -58.9 -26.5 13.6 12.3 21.1 16 16 A D G 3 5S+ 0 0 108 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.757 103.6 40.8 -62.8 -24.1 10.0 11.4 20.4 17 17 A I G < 5S- 0 0 17 -3,-2.2 -1,-0.3 15,-0.0 -2,-0.2 0.031 131.8 -84.9-111.4 27.3 10.3 13.3 17.0 18 18 A G T < 5S+ 0 0 49 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.464 78.0 145.0 91.0 2.6 13.8 12.1 16.0 19 19 A D < - 0 0 9 -5,-1.6 -1,-0.3 1,-0.1 2,-0.1 -0.438 54.0-114.2 -66.4 146.5 16.0 14.6 17.9 20 20 A P - 0 0 25 0, 0.0 2,-1.4 0, 0.0 -6,-0.1 -0.398 39.7 -96.3 -70.9 165.1 19.2 13.3 19.2 21 21 A N S S+ 0 0 127 -8,-0.1 -2,-0.0 -2,-0.1 18,-0.0 -0.235 99.5 49.1 -84.5 47.2 19.4 13.3 23.0 22 22 A Y S S- 0 0 69 -2,-1.4 -8,-0.1 -12,-0.1 19,-0.1 -0.966 101.8 -72.4-165.4 161.6 21.2 16.5 23.4 23 23 A P + 0 0 34 0, 0.0 17,-3.1 0, 0.0 2,-0.3 -0.432 66.8 167.4 -62.1 147.7 21.0 20.1 22.3 24 24 A H E -BC 10 39A 0 -14,-2.4 -14,-2.9 15,-0.3 2,-0.3 -0.982 39.3-120.7-155.9 158.6 22.1 20.1 18.7 25 25 A I E -BC 9 38A 0 13,-2.5 13,-2.3 -2,-0.3 2,-0.3 -0.819 37.9-174.8-103.3 154.4 22.3 22.0 15.5 26 26 A G E -BC 8 37A 0 -18,-2.0 -18,-2.5 -2,-0.3 2,-0.6 -0.996 31.0-131.2-150.0 150.0 20.5 20.6 12.5 27 27 A I E -BC 7 36A 0 9,-2.6 8,-3.0 -2,-0.3 9,-1.0 -0.938 29.7-162.0-101.6 120.2 19.9 21.0 8.8 28 28 A D E -B 6 0A 0 -22,-3.4 -22,-2.8 -2,-0.6 2,-0.6 -0.923 9.9-173.2-110.2 119.0 16.2 20.6 8.1 29 29 A I E S-B 5 0A 12 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.917 77.2 -39.7-113.5 103.3 15.1 19.9 4.6 30 30 A K S S+ 0 0 118 -26,-3.1 2,-0.3 -2,-0.6 -25,-0.1 0.619 129.7 67.3 52.9 20.5 11.3 20.1 4.3 31 31 A S S S- 0 0 8 -27,-0.2 -2,-0.3 -25,-0.1 -25,-0.2 -0.967 78.8-129.0-162.7 144.0 11.0 18.4 7.8 32 32 A I S S+ 0 0 0 201,-0.5 2,-1.6 199,-0.4 200,-0.1 0.704 91.7 92.7 -58.6 -26.4 11.8 19.1 11.5 33 33 A R S S- 0 0 102 200,-0.5 -4,-0.3 -4,-0.1 -1,-0.1 -0.613 89.2-128.2 -78.2 93.4 13.6 15.7 11.5 34 34 A S - 0 0 25 -2,-1.6 -6,-0.3 1,-0.1 3,-0.2 -0.069 9.6-146.6 -46.7 138.7 17.0 17.1 10.6 35 35 A K S S+ 0 0 101 -8,-3.0 2,-0.3 1,-0.3 -7,-0.1 0.780 91.8 12.8 -80.5 -28.0 18.8 15.4 7.7 36 36 A S E S-C 27 0A 39 -9,-1.0 -9,-2.6 41,-0.1 -1,-0.3 -0.992 75.0-177.2-146.4 140.0 22.1 16.0 9.6 37 37 A T E -C 26 0A 50 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.924 8.7-163.8-127.8 157.4 22.7 17.1 13.2 38 38 A A E -C 25 0A 23 -13,-2.3 -13,-2.5 -2,-0.3 2,-0.1 -0.992 34.4-101.6-136.8 145.2 25.6 17.9 15.4 39 39 A R E -C 24 0A 156 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.374 36.3-153.2 -60.3 135.3 25.8 18.1 19.2 40 40 A W - 0 0 5 -17,-3.1 2,-2.1 -30,-0.2 -1,-0.1 -0.938 16.0-147.5-118.2 119.4 25.7 21.6 20.5 41 41 A N - 0 0 120 -2,-0.5 2,-0.1 30,-0.2 -17,-0.1 -0.582 32.8-157.2 -80.3 75.6 27.2 22.7 23.8 42 42 A M - 0 0 25 -2,-2.1 2,-0.5 -32,-0.1 -2,-0.0 -0.355 7.3-161.0 -49.5 127.9 24.4 25.3 24.2 43 43 A Q > - 0 0 40 3,-0.1 3,-1.4 -2,-0.1 152,-0.3 -0.853 5.4-150.5-119.7 105.4 25.5 28.1 26.6 44 44 A T T 3 S+ 0 0 68 -2,-0.5 152,-0.3 1,-0.2 3,-0.1 -0.281 80.0 23.2 -70.5 147.9 22.8 30.2 28.1 45 45 A G T 3 S+ 0 0 48 150,-3.2 2,-0.3 1,-0.2 -1,-0.2 0.417 101.9 102.0 81.7 -1.7 23.5 33.7 28.9 46 46 A K S < S- 0 0 90 -3,-1.4 149,-0.6 149,-0.4 2,-0.5 -0.894 77.4-115.3-113.0 144.8 26.4 33.9 26.5 47 47 A V E -G 194 0B 68 -2,-0.3 21,-0.6 147,-0.2 2,-0.2 -0.647 37.0-166.6 -79.5 124.1 26.1 35.6 23.0 48 48 A G E -GH 193 67B 0 145,-3.2 145,-2.2 -2,-0.5 2,-0.4 -0.697 10.8-144.4-108.5 166.9 26.6 33.1 20.3 49 49 A T E -GH 192 66B 36 17,-2.4 17,-2.4 -2,-0.2 2,-0.4 -0.996 8.4-166.4-130.1 136.1 27.2 33.4 16.5 50 50 A V E -GH 191 65B 0 141,-2.6 141,-2.2 -2,-0.4 2,-0.4 -0.963 1.4-170.6-118.8 134.5 25.9 31.2 13.7 51 51 A H E -GH 190 64B 80 13,-2.5 13,-2.2 -2,-0.4 2,-0.4 -0.999 6.8-175.4-122.7 132.9 27.2 31.3 10.1 52 52 A I E +GH 189 63B 3 137,-2.7 137,-2.8 -2,-0.4 2,-0.3 -0.968 7.5 170.6-127.4 138.4 25.4 29.4 7.3 53 53 A S E +GH 188 62B 40 9,-2.4 9,-2.9 -2,-0.4 2,-0.3 -0.993 10.4 167.9-147.8 161.8 26.5 29.1 3.8 54 54 A Y E -G 187 0B 15 133,-2.2 133,-2.5 -2,-0.3 2,-0.3 -0.948 8.5-169.9-160.9 142.6 25.7 27.3 0.6 55 55 A N E >> -G 186 0B 55 5,-0.4 4,-2.3 -2,-0.3 5,-0.7 -0.984 28.8-126.8-138.5 157.7 26.7 27.5 -3.0 56 56 A S T 45S+ 0 0 4 129,-2.7 130,-0.1 -2,-0.3 26,-0.1 0.532 104.7 54.1 -77.1 -11.7 25.2 25.7 -5.9 57 57 A V T 45S+ 0 0 104 128,-0.2 -1,-0.2 1,-0.1 129,-0.1 0.886 115.5 38.4 -86.8 -42.8 28.4 24.2 -7.3 58 58 A A T 45S- 0 0 60 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.839 90.0-155.6 -73.3 -32.4 29.4 22.6 -4.0 59 59 A K T <5 + 0 0 89 -4,-2.3 20,-2.3 1,-0.2 2,-0.4 0.881 49.9 128.4 57.3 38.9 25.8 21.7 -3.3 60 60 A R E < - I 0 78B 129 -5,-0.7 2,-0.5 18,-0.3 -5,-0.4 -0.959 46.5-158.6-131.1 112.1 26.7 21.6 0.4 61 61 A L E + I 0 77B 2 16,-2.7 16,-2.2 -2,-0.4 2,-0.3 -0.785 25.2 176.5 -88.8 128.9 24.7 23.5 3.0 62 62 A S E -HI 53 76B 32 -9,-2.9 -9,-2.4 -2,-0.5 2,-0.3 -0.951 17.8-172.8-137.7 159.5 26.7 24.2 6.1 63 63 A A E -HI 52 75B 5 12,-2.5 12,-2.3 -2,-0.3 2,-0.4 -0.996 5.5-166.7-147.8 149.7 26.6 25.9 9.4 64 64 A V E -HI 51 74B 41 -13,-2.2 -13,-2.5 -2,-0.3 2,-0.4 -0.994 5.6-168.5-137.1 135.4 28.8 26.7 12.3 65 65 A V E +HI 50 73B 2 8,-2.5 8,-3.0 -2,-0.4 2,-0.3 -0.999 18.3 159.8-126.0 131.6 27.8 27.9 15.8 66 66 A S E -H 49 0B 34 -17,-2.4 -17,-2.4 -2,-0.4 2,-0.3 -0.963 26.7-152.2-143.5 162.7 30.2 29.2 18.4 67 67 A Y E > -H 48 0B 13 -2,-0.3 3,-1.7 -19,-0.2 -19,-0.1 -0.943 46.4 -83.6-123.4 157.6 30.6 31.3 21.5 68 68 A T T 3 S+ 0 0 114 -21,-0.6 3,-0.1 -2,-0.3 -21,-0.0 -0.302 116.5 12.8 -51.5 137.1 33.7 33.3 22.6 69 69 A G T 3 S+ 0 0 94 1,-0.2 -1,-0.2 -3,-0.0 2,-0.2 0.413 113.4 98.6 74.8 -0.6 36.2 31.0 24.4 70 70 A S S < S- 0 0 39 -3,-1.7 -1,-0.2 1,-0.1 2,-0.2 -0.732 78.4 -95.7-118.1 165.5 34.4 27.8 23.3 71 71 A S - 0 0 105 -2,-0.2 -4,-0.2 -3,-0.1 -30,-0.2 -0.461 43.0-121.4 -71.0 146.0 34.5 25.0 20.7 72 72 A S - 0 0 65 -2,-0.2 2,-0.5 -6,-0.1 -6,-0.2 -0.480 13.5-139.0 -86.9 156.6 32.4 25.5 17.6 73 73 A T E -I 65 0B 15 -8,-3.0 -8,-2.5 -2,-0.2 2,-0.3 -0.974 22.5-169.5-109.2 136.8 29.7 23.1 16.5 74 74 A T E +I 64 0B 94 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.910 10.5 179.9-124.2 151.5 29.5 22.4 12.7 75 75 A V E -I 63 0B 6 -12,-2.3 -12,-2.5 -2,-0.3 2,-0.3 -0.979 3.3-177.6-148.7 144.0 26.9 20.6 10.5 76 76 A S E -I 62 0B 53 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.965 4.9-172.7-140.3 147.2 26.9 20.0 6.7 77 77 A Y E -I 61 0B 79 -16,-2.2 -16,-2.7 -2,-0.3 2,-0.5 -0.964 24.7-128.8-143.6 131.0 24.4 18.4 4.4 78 78 A D E +I 60 0B 94 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.682 50.8 141.0 -80.8 119.7 24.8 17.7 0.7 79 79 A V - 0 0 19 -20,-2.3 2,-0.8 -2,-0.5 -2,-0.1 -0.976 52.3-137.1-163.5 136.6 21.8 19.1 -1.1 80 80 A D > - 0 0 43 -2,-0.3 3,-1.6 1,-0.1 4,-0.1 -0.953 21.7-162.3 -97.0 104.7 21.0 20.8 -4.2 81 81 A L G >> S+ 0 0 2 -2,-0.8 4,-3.5 1,-0.3 3,-1.3 0.660 84.2 69.9 -68.0 -23.7 18.6 23.5 -3.0 82 82 A N G 34 S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.2 96,-0.0 0.743 97.2 53.6 -62.3 -23.0 17.2 24.1 -6.4 83 83 A N G <4 S+ 0 0 125 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.422 120.8 32.8 -83.3 1.1 15.6 20.6 -6.1 84 84 A V T <4 S+ 0 0 22 -3,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.690 115.3 47.2-122.4 -54.5 14.0 21.7 -2.8 85 85 A L S < S- 0 0 7 -4,-3.5 -1,-0.3 1,-0.1 4,-0.1 -0.646 80.0-109.4-102.4 155.4 13.2 25.3 -2.9 86 86 A P - 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