==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE BINDING PROTEIN 15-JUN-11 3SH3 . COMPND 2 MOLECULE: LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA WILSONII; . AUTHOR T.B.A.RANGEL,B.A.M.ROCHA,G.A.BEZERRA,M.J.B.BEZERRA,K.S.NASCI . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 64.7 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 . 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 . 23 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.5 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 4 1 1 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 0 136 0, 0.0 214,-0.0 0, 0.0 228,-0.0 0.000 360.0 360.0 360.0 145.7 -0.7 -2.4 19.8 2 2 A D - 0 0 46 214,-0.2 2,-0.6 226,-0.1 209,-0.0 -0.213 360.0-125.2 -68.1 158.1 -4.0 -2.5 17.8 3 3 A T - 0 0 37 2,-0.0 209,-0.7 226,-0.0 2,-0.5 -0.952 34.7-166.1-105.1 119.6 -7.3 -1.2 19.1 4 4 A I E +A 211 0A 2 -2,-0.6 26,-2.9 207,-0.2 2,-0.4 -0.928 26.3 173.2-117.8 126.1 -9.9 -3.9 18.9 5 5 A V E +AB 210 29A 2 205,-2.5 205,-3.5 -2,-0.5 2,-0.3 -0.999 30.7 164.9-115.2 127.0 -13.7 -4.0 19.1 6 6 A A E -AB 209 28A 1 22,-2.9 22,-3.4 -2,-0.4 2,-0.5 -0.965 42.0-142.9-140.1 155.3 -14.9 -7.4 18.3 7 7 A V E -AB 208 27A 1 201,-2.9 201,-1.8 -2,-0.3 2,-0.4 -0.994 35.5-154.0-110.5 118.4 -17.9 -9.8 18.4 8 8 A E E -AB 207 26A 0 18,-2.9 18,-2.4 -2,-0.5 2,-0.7 -0.803 22.4-161.1-101.5 136.2 -16.4 -13.2 19.1 9 9 A L E -AB 206 25A 0 197,-4.3 197,-2.5 -2,-0.4 2,-0.9 -0.929 26.5-170.7-104.6 100.5 -17.9 -16.5 18.3 10 10 A D E + B 0 24A 1 14,-2.3 14,-1.5 -2,-0.7 195,-0.3 -0.771 20.3 175.8-105.3 96.4 -15.9 -18.5 20.7 11 11 A S + 0 0 2 -2,-0.9 -1,-0.2 193,-0.5 194,-0.2 0.898 66.1 63.9 -70.8 -30.9 -16.2 -22.1 20.3 12 12 A Y S S- 0 0 52 192,-1.3 2,-0.6 11,-0.1 -1,-0.1 -0.780 76.3-136.6-110.1 119.2 -13.6 -23.0 22.9 13 13 A P + 0 0 18 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.525 20.3 179.2 -72.9 114.1 -14.0 -22.2 26.6 14 14 A N > > + 0 0 15 -2,-0.6 5,-1.9 1,-0.1 3,-1.7 -0.782 5.8 171.6-107.1 83.6 -10.7 -20.8 28.0 15 15 A T G > 5S+ 0 0 87 -2,-0.7 3,-1.6 1,-0.3 -1,-0.1 0.790 71.4 68.7 -63.6 -27.5 -11.8 -20.2 31.7 16 16 A D G 3 5S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.555 105.7 40.8 -71.8 -7.4 -8.2 -19.5 32.7 17 17 A I G < 5S- 0 0 6 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.022 135.5 -77.1-127.9 27.5 -8.3 -16.3 30.6 18 18 A G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.145 83.3 139.9 108.2 -15.7 -11.8 -15.1 31.5 19 19 A D < - 0 0 9 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.273 51.0-121.9 -59.1 142.4 -14.0 -17.3 29.4 20 20 A P - 0 0 27 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.213 43.1 -83.4 -69.5 174.9 -17.2 -18.7 30.9 21 21 A N S S+ 0 0 135 -8,-0.1 -6,-0.1 -6,-0.1 -2,-0.1 0.408 103.2 29.3 -60.3 -5.2 -17.7 -22.5 31.0 22 22 A Y S S- 0 0 56 -10,-0.1 -8,-0.1 -8,-0.1 19,-0.1 -0.885 99.5 -59.4-153.4 167.1 -19.0 -22.9 27.5 23 23 A P + 0 0 33 0, 0.0 17,-3.3 0, 0.0 2,-0.3 -0.383 64.4 171.7 -62.2 140.5 -19.0 -21.7 23.9 24 24 A H E -BC 10 39A 0 -14,-1.5 -14,-2.3 15,-0.3 2,-0.4 -0.971 38.9-122.5-148.6 155.2 -20.2 -18.2 24.0 25 25 A I E -BC 9 38A 0 13,-2.0 13,-1.9 -2,-0.3 2,-0.4 -0.847 41.7-170.7 -97.1 145.2 -20.7 -15.2 21.8 26 26 A G E -BC 8 37A 0 -18,-2.4 -18,-2.9 -2,-0.4 2,-0.7 -0.990 30.7-136.6-142.9 148.1 -18.9 -12.2 23.3 27 27 A I E -BC 7 36A 0 9,-2.6 8,-2.4 -2,-0.4 9,-0.9 -0.923 29.2-163.5 -99.6 116.7 -18.5 -8.5 22.9 28 28 A D E -B 6 0A 0 -22,-3.4 -22,-2.9 -2,-0.7 2,-0.6 -0.913 11.8-176.4-107.5 120.6 -14.8 -7.7 23.2 29 29 A I E S-B 5 0A 15 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.838 76.8 -39.9-117.1 90.4 -13.7 -4.1 23.8 30 30 A K S S+ 0 0 126 -26,-2.9 2,-0.3 -2,-0.6 -25,-0.1 0.668 127.8 69.8 69.9 18.1 -9.9 -3.9 23.8 31 31 A S S S- 0 0 10 -27,-0.2 -2,-0.3 1,-0.1 4,-0.2 -0.934 78.3-131.8-161.3 141.3 -9.5 -7.2 25.6 32 32 A I S S+ 0 0 0 199,-0.4 2,-1.2 201,-0.4 200,-0.1 0.659 92.5 94.3 -62.3 -16.2 -10.1 -10.9 24.8 33 33 A R S S- 0 0 97 200,-0.5 -4,-0.3 -4,-0.1 -1,-0.1 -0.684 86.9-128.8 -83.5 97.2 -11.9 -10.8 28.1 34 34 A S - 0 0 31 -2,-1.2 -6,-0.2 1,-0.1 3,-0.2 -0.082 13.1-151.8 -54.6 138.4 -15.5 -10.1 27.0 35 35 A K S S+ 0 0 100 -8,-2.4 2,-0.3 1,-0.3 -1,-0.1 0.774 90.1 13.9 -75.4 -29.7 -17.4 -7.3 28.6 36 36 A S E S+C 27 0A 34 -9,-0.9 -9,-2.6 41,-0.1 -1,-0.3 -0.987 72.4 178.8-147.4 135.7 -20.5 -9.2 27.9 37 37 A T E -C 26 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.929 10.2-164.2-131.9 159.9 -21.1 -12.9 26.9 38 38 A A E -C 25 0A 20 -13,-1.9 -13,-2.0 -2,-0.3 2,-0.2 -0.975 39.7 -95.9-135.8 149.4 -24.1 -15.1 26.2 39 39 A R E -C 24 0A 125 -2,-0.3 2,-0.7 -15,-0.2 -15,-0.3 -0.496 36.3-149.9 -67.7 129.4 -24.0 -18.9 26.1 40 40 A W - 0 0 3 -17,-3.3 2,-1.5 -2,-0.2 -1,-0.1 -0.895 1.6-153.3-106.1 106.5 -23.6 -20.0 22.5 41 41 A N - 0 0 103 -2,-0.7 30,-0.1 30,-0.1 -17,-0.1 -0.638 27.4-144.0 -80.9 90.4 -25.3 -23.4 21.9 42 42 A M - 0 0 39 -2,-1.5 -1,-0.0 1,-0.1 -31,-0.0 -0.062 21.8-165.0 -60.4 151.7 -23.1 -24.4 19.0 43 43 A Q > - 0 0 51 3,-0.2 3,-2.2 152,-0.0 152,-0.2 -0.480 18.4-162.0-133.4 62.4 -24.4 -26.4 16.0 44 44 A T T 3 S+ 0 0 58 1,-0.3 152,-0.2 150,-0.1 3,-0.1 -0.146 76.0 29.2 -45.7 128.2 -21.1 -27.6 14.5 45 45 A G T 3 S+ 0 0 45 150,-3.0 2,-0.3 1,-0.4 -1,-0.3 0.322 103.1 98.2 98.0 -7.5 -21.6 -28.7 10.9 46 46 A K S < S- 0 0 123 -3,-2.2 149,-0.7 149,-0.3 2,-0.4 -0.869 82.5-104.1-113.5 149.0 -24.5 -26.3 10.4 47 47 A V E -H 194 0B 69 -2,-0.3 21,-0.5 147,-0.2 2,-0.3 -0.551 40.2-158.3 -71.7 123.5 -24.4 -22.9 8.7 48 48 A G E -HI 193 67B 0 145,-3.6 145,-2.5 -2,-0.4 2,-0.4 -0.724 6.4-149.3-104.5 157.1 -24.6 -20.1 11.3 49 49 A T E -HI 192 66B 34 17,-2.7 17,-1.9 -2,-0.3 2,-0.5 -0.987 7.8-167.2-128.2 125.1 -25.6 -16.5 10.9 50 50 A V E -HI 191 65B 0 141,-3.2 141,-1.7 -2,-0.4 2,-0.5 -0.943 0.4-169.2-111.9 128.9 -24.3 -13.5 12.9 51 51 A H E -HI 190 64B 89 13,-2.7 13,-1.9 -2,-0.5 2,-0.4 -0.975 8.5-176.6-114.6 127.0 -26.0 -10.1 12.9 52 52 A I E +HI 189 63B 3 137,-3.3 137,-2.8 -2,-0.5 2,-0.3 -0.963 7.2 167.0-123.3 138.1 -24.1 -7.2 14.6 53 53 A S E +HI 188 62B 39 9,-2.6 9,-2.9 -2,-0.4 2,-0.3 -0.993 8.6 160.8-151.8 157.5 -25.3 -3.7 15.0 54 54 A Y E -H 187 0B 12 133,-1.6 133,-2.2 -2,-0.3 2,-0.3 -0.937 11.6-168.2-167.4 144.5 -24.5 -0.5 16.8 55 55 A N E >> -H 186 0B 54 -2,-0.3 4,-2.7 131,-0.2 5,-0.6 -0.980 30.4-125.2-140.5 150.0 -25.4 3.2 16.5 56 56 A S T 45S+ 0 0 12 129,-2.8 130,-0.1 -2,-0.3 26,-0.1 0.540 106.7 56.6 -72.3 -8.5 -23.7 6.0 18.4 57 57 A V T 45S+ 0 0 99 128,-0.2 -1,-0.2 1,-0.1 129,-0.1 0.924 116.7 31.4 -84.9 -52.9 -27.0 7.3 19.7 58 58 A A T 45S- 0 0 61 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.803 90.9-154.9 -71.1 -29.9 -28.2 4.1 21.5 59 59 A K T <5 + 0 0 82 -4,-2.7 20,-2.2 1,-0.2 2,-0.5 0.896 46.4 133.9 54.1 41.2 -24.6 3.2 22.2 60 60 A R E < - J 0 78B 135 -5,-0.6 2,-0.6 18,-0.3 18,-0.2 -0.940 43.4-159.6-125.0 108.8 -25.5 -0.5 22.3 61 61 A L E - J 0 77B 2 16,-2.2 16,-1.6 -2,-0.5 2,-0.4 -0.779 23.4-180.0 -82.0 123.6 -23.3 -2.9 20.4 62 62 A S E -IJ 53 76B 34 -9,-2.9 -9,-2.6 -2,-0.6 2,-0.3 -0.976 15.0-175.4-134.5 143.6 -25.4 -6.0 19.9 63 63 A A E -IJ 52 75B 2 12,-2.5 12,-2.7 -2,-0.4 2,-0.4 -0.978 2.0-171.8-135.4 145.5 -24.8 -9.3 18.2 64 64 A V E -IJ 51 74B 38 -13,-1.9 -13,-2.7 -2,-0.3 2,-0.4 -0.997 3.4-166.5-138.2 135.4 -27.1 -12.3 17.6 65 65 A V E +IJ 50 73B 2 8,-2.6 8,-2.7 -2,-0.4 2,-0.3 -0.970 17.7 157.4-120.7 140.6 -26.1 -15.7 16.3 66 66 A S E -I 49 0B 34 -17,-1.9 -17,-2.7 -2,-0.4 2,-0.3 -0.981 29.9-144.3-152.2 164.0 -28.5 -18.4 15.0 67 67 A Y E > -I 48 0B 12 -2,-0.3 3,-2.1 4,-0.3 -19,-0.1 -0.867 56.6 -68.5-121.5 160.0 -28.9 -21.4 12.8 68 68 A S T 3 S- 0 0 123 -21,-0.5 3,-0.1 -2,-0.3 -1,-0.0 -0.258 118.8 -2.5 -52.7 125.5 -32.0 -22.1 10.7 69 69 A G T 3 S+ 0 0 93 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.652 109.1 118.7 69.2 17.2 -34.9 -23.0 13.0 70 70 A S S < S- 0 0 39 -3,-2.1 2,-0.3 1,-0.1 -1,-0.2 -0.576 75.6 -89.6-105.1 170.1 -32.9 -22.7 16.2 71 71 A S - 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