==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING PROTEIN 12-JAN-07 2JDZ . COMPND 2 MOLECULE: LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA GUIANENSIS; . AUTHOR C.S.NAGANO,L.SANZ,B.S.CAVADA,J.J.CALVETE . 234 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 64.1 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 . 97 41.5 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 . 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 . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.8 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 . 2 0.9 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 2 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 3 A A 0 0 131 0, 0.0 230,-0.1 0, 0.0 216,-0.0 0.000 360.0 360.0 360.0 157.2 22.2 18.6 20.3 2 4 A D - 0 0 49 216,-0.2 2,-0.6 228,-0.1 211,-0.0 -0.168 360.0-125.8 -62.8 157.5 19.9 16.3 18.3 3 5 A T - 0 0 42 2,-0.0 211,-0.8 26,-0.0 2,-0.4 -0.960 38.4-170.1-104.5 119.2 16.5 14.9 19.5 4 6 A I E +A 213 0A 1 -2,-0.6 26,-2.5 209,-0.2 2,-0.4 -0.945 26.4 178.2-123.7 131.2 16.7 11.1 19.2 5 7 A V E +AB 212 29A 4 207,-2.3 207,-2.8 -2,-0.4 2,-0.3 -0.998 28.6 165.0-121.7 129.6 14.2 8.3 19.5 6 8 A A E -AB 211 28A 2 22,-2.4 22,-2.7 -2,-0.4 2,-0.5 -0.957 41.2-145.8-145.7 155.0 15.8 4.9 18.8 7 9 A V E -AB 210 27A 3 203,-2.1 203,-2.0 -2,-0.3 2,-0.4 -1.000 34.3-157.3-116.8 114.7 15.4 1.2 19.0 8 10 A E E -AB 209 26A 0 18,-2.3 18,-2.3 -2,-0.5 2,-0.7 -0.827 21.9-157.9-100.8 136.7 18.9 -0.2 19.6 9 11 A L E -AB 208 25A 0 199,-3.1 199,-1.6 -2,-0.4 2,-0.8 -0.950 26.6-167.2-103.3 100.6 20.0 -3.7 18.9 10 12 A D E +AB 207 24A 2 14,-2.7 14,-2.1 -2,-0.7 197,-0.3 -0.827 17.9 176.3-103.2 108.5 23.0 -3.6 21.3 11 13 A S + 0 0 3 195,-1.3 196,-0.2 -2,-0.8 -1,-0.2 0.782 66.4 56.4 -85.2 -23.0 25.3 -6.5 20.8 12 14 A Y S S- 0 0 56 194,-1.1 2,-0.6 191,-0.1 -1,-0.1 -0.932 78.6-134.9-119.8 117.6 28.0 -5.4 23.4 13 15 A P - 0 0 37 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.611 17.5-175.7 -77.8 117.1 27.2 -4.8 27.1 14 16 A N > > + 0 0 13 -2,-0.6 5,-1.6 1,-0.2 3,-1.3 -0.831 5.8 175.4-107.4 86.9 28.7 -1.6 28.5 15 17 A T G > 5S+ 0 0 92 -2,-0.7 3,-1.9 1,-0.3 -1,-0.2 0.826 73.8 73.5 -66.4 -31.3 27.7 -2.0 32.2 16 18 A D G 3 5S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.871 107.1 34.3 -39.5 -46.8 29.7 1.1 32.8 17 19 A I G < 5S- 0 0 7 -3,-1.3 -1,-0.3 15,-0.0 -2,-0.2 -0.012 131.6 -80.8-109.8 26.7 26.9 3.1 31.1 18 20 A G T < 5S+ 0 0 52 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.218 78.7 141.2 101.0 -14.4 23.8 1.1 32.1 19 21 A D < - 0 0 8 -5,-1.6 -1,-0.3 1,-0.1 14,-0.0 -0.336 55.1-114.9 -56.7 137.4 23.7 -1.8 29.7 20 22 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.249 38.1 -96.0 -63.0 167.5 22.6 -5.1 31.2 21 23 A S S S+ 0 0 97 -8,-0.1 -2,-0.0 -7,-0.1 -6,-0.0 0.029 102.8 54.0 -81.2 29.0 25.3 -7.8 31.3 22 24 A Y S S- 0 0 59 -2,-0.4 2,-0.1 -10,-0.1 -10,-0.1 -0.963 99.9 -76.6-150.2 162.3 24.0 -9.4 28.1 23 25 A P + 0 0 34 0, 0.0 17,-2.7 0, 0.0 2,-0.3 -0.450 63.5 168.9 -58.0 139.9 23.1 -8.6 24.4 24 26 A H E -BC 10 39A 0 -14,-2.1 -14,-2.7 15,-0.3 2,-0.4 -0.986 38.9-125.3-155.0 155.6 19.8 -6.7 24.4 25 27 A I E -BC 9 38A 0 13,-2.6 13,-2.1 -2,-0.3 2,-0.3 -0.853 38.8-178.4-103.7 147.0 17.3 -4.7 22.4 26 28 A G E -BC 8 37A 0 -18,-2.3 -18,-2.3 -2,-0.4 2,-0.6 -0.988 32.0-128.0-145.9 159.5 16.3 -1.4 23.9 27 29 A I E -BC 7 36A 0 9,-2.4 8,-3.0 -2,-0.3 9,-1.0 -0.949 28.0-161.9-109.7 115.4 14.1 1.7 23.5 28 30 A D E -B 6 0A 0 -22,-2.7 -22,-2.4 -2,-0.6 2,-0.7 -0.889 9.4-173.9-104.8 115.7 16.1 4.9 23.8 29 31 A I E S-B 5 0A 13 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.902 76.2 -39.5-109.6 101.0 14.3 8.1 24.5 30 32 A K S S+ 0 0 124 -26,-2.5 2,-0.3 -2,-0.7 -25,-0.1 0.601 127.8 61.9 63.8 17.2 16.8 11.0 24.2 31 33 A S S S- 0 0 13 -27,-0.2 -2,-0.2 200,-0.0 4,-0.1 -0.954 81.9-121.2-167.8 147.4 19.6 9.1 26.0 32 34 A I S S+ 0 0 0 203,-0.5 2,-1.2 201,-0.4 202,-0.1 0.630 94.3 91.8 -67.3 -15.2 21.7 5.9 25.4 33 35 A R S S- 0 0 106 202,-0.4 -4,-0.3 -4,-0.1 -1,-0.1 -0.716 87.7-129.3 -86.9 96.6 20.4 4.7 28.7 34 36 A S - 0 0 28 -2,-1.2 -6,-0.3 1,-0.1 3,-0.1 -0.041 10.7-146.6 -56.3 143.5 17.4 2.8 27.4 35 37 A K S S+ 0 0 97 -8,-3.0 2,-0.3 1,-0.3 -7,-0.2 0.747 89.8 16.2 -74.4 -28.7 14.0 3.4 29.0 36 38 A S E S-C 27 0A 35 -9,-1.0 -9,-2.4 41,-0.1 2,-0.3 -0.992 72.9-175.8-148.1 138.8 13.1 -0.3 28.4 37 39 A T E -C 26 0A 63 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.942 8.7-171.2-136.3 159.9 15.3 -3.3 27.6 38 40 A A E -C 25 0A 22 -13,-2.1 -13,-2.6 -2,-0.3 2,-0.1 -0.989 35.7-102.0-146.6 141.8 15.0 -7.0 26.8 39 41 A R E -C 24 0A 157 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.3 -0.403 35.8-147.0 -63.4 135.5 17.6 -9.8 26.5 40 42 A W - 0 0 4 -17,-2.7 2,-2.2 -30,-0.1 -1,-0.1 -0.927 10.2-146.2-116.9 113.8 18.4 -10.6 22.9 41 43 A N - 0 0 99 -2,-0.6 -17,-0.1 30,-0.2 -2,-0.0 -0.543 31.5-154.8 -77.3 78.5 19.3 -14.2 21.8 42 44 A M - 0 0 39 -2,-2.2 2,-0.6 1,-0.1 25,-0.0 -0.283 13.2-158.9 -61.8 132.3 21.8 -12.9 19.3 43 45 A Q > - 0 0 55 3,-0.2 3,-2.3 27,-0.0 154,-0.2 -0.711 16.0-153.6-113.2 77.8 22.4 -15.3 16.4 44 46 A T T 3 S+ 0 0 62 -2,-0.6 154,-0.2 1,-0.3 3,-0.1 -0.261 78.6 20.3 -59.1 132.9 25.7 -14.1 15.1 45 47 A G T 3 S+ 0 0 34 152,-3.7 2,-0.3 1,-0.3 -1,-0.3 0.315 103.8 103.0 92.6 -7.9 26.1 -14.9 11.4 46 48 A K S < S- 0 0 138 -3,-2.3 151,-0.6 151,-0.4 2,-0.3 -0.830 80.1-101.5-109.5 149.2 22.4 -15.4 10.7 47 49 A V E -H 196 0B 79 -2,-0.3 21,-0.6 149,-0.1 149,-0.2 -0.494 42.1-166.6 -71.6 123.2 19.9 -13.0 9.0 48 50 A G E -HI 195 67B 0 147,-2.8 147,-1.3 -2,-0.3 2,-0.4 -0.582 10.1-150.7-100.1 166.5 17.8 -11.1 11.5 49 51 A T E -HI 194 66B 50 17,-1.8 17,-2.0 145,-0.2 2,-0.4 -0.988 7.1-166.3-135.2 140.5 14.6 -9.0 11.1 50 52 A A E -HI 193 65B 1 143,-3.0 143,-2.3 -2,-0.4 2,-0.4 -0.974 3.1-171.5-123.3 136.7 13.6 -6.1 13.2 51 53 A H E -HI 192 64B 61 13,-2.4 13,-2.4 -2,-0.4 2,-0.4 -0.997 3.7-176.7-133.2 136.0 10.1 -4.5 13.2 52 54 A I E +HI 191 63B 1 139,-2.9 139,-2.7 -2,-0.4 2,-0.3 -0.991 6.1 172.3-136.3 136.4 9.1 -1.3 15.0 53 55 A S E +HI 190 62B 34 9,-2.2 9,-2.3 -2,-0.4 2,-0.3 -0.985 7.1 170.9-149.9 157.3 5.7 0.4 15.2 54 56 A Y E -H 189 0B 17 135,-2.3 135,-2.4 -2,-0.3 2,-0.3 -0.968 8.2-169.1-158.9 144.1 3.9 3.2 16.9 55 57 A N E >> -H 188 0B 57 -2,-0.3 4,-2.7 5,-0.3 5,-0.6 -0.998 26.9-130.6-141.6 158.4 0.7 5.0 16.9 56 58 A S T 45S+ 0 0 6 131,-2.7 132,-0.1 -2,-0.3 26,-0.1 0.613 104.7 51.8 -82.0 -13.0 -0.5 8.2 18.5 57 59 A V T 45S+ 0 0 101 130,-0.3 -1,-0.2 1,-0.1 131,-0.1 0.929 118.3 35.0 -83.0 -52.3 -3.7 6.8 19.9 58 60 A A T 45S- 0 0 62 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.817 90.2-156.4 -70.0 -32.7 -2.1 3.7 21.6 59 61 A K T <5 + 0 0 86 -4,-2.7 20,-1.6 1,-0.2 2,-0.5 0.902 46.2 129.6 55.7 47.3 1.0 5.7 22.5 60 62 A R E < - J 0 78B 113 -5,-0.6 2,-0.5 18,-0.2 -5,-0.3 -0.927 47.2-154.3-138.5 112.7 3.1 2.6 22.7 61 63 A L E + J 0 77B 2 16,-2.3 16,-2.1 -2,-0.5 2,-0.3 -0.759 24.3 179.9 -89.1 124.5 6.4 2.2 20.9 62 64 A S E -IJ 53 76B 34 -9,-2.3 -9,-2.2 -2,-0.5 2,-0.3 -0.926 13.9-175.4-132.5 149.6 7.2 -1.5 20.3 63 65 A A E -IJ 52 75B 5 12,-2.4 12,-2.3 -2,-0.3 2,-0.4 -0.993 3.4-169.5-142.5 143.4 9.9 -3.5 18.6 64 66 A V E -IJ 51 74B 44 -13,-2.4 -13,-2.4 -2,-0.3 2,-0.4 -0.998 2.1-167.5-134.4 137.8 10.5 -7.2 17.8 65 67 A V E +IJ 50 73B 1 8,-2.2 8,-2.6 -2,-0.4 2,-0.3 -0.983 19.0 163.5-122.0 136.9 13.7 -8.9 16.6 66 68 A S E -I 49 0B 38 -17,-2.0 -17,-1.8 -2,-0.4 2,-0.3 -0.973 23.7-154.7-149.2 154.5 13.6 -12.5 15.3 67 69 A Y E > -I 48 0B 14 -2,-0.3 3,-1.9 -19,-0.2 -19,-0.1 -0.941 47.7 -78.4-126.9 156.1 15.6 -15.0 13.3 68 70 A S T 3 S+ 0 0 122 -21,-0.6 3,-0.1 -2,-0.3 -21,-0.0 -0.265 115.9 4.1 -51.5 129.2 14.3 -17.9 11.3 69 71 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.624 111.2 101.8 69.5 19.2 13.5 -20.8 13.6 70 72 A T S < S- 0 0 44 -3,-1.9 -1,-0.2 -27,-0.0 2,-0.2 -0.825 78.6 -86.8-128.0 166.4 14.2 -19.0 16.9 71 73 A S - 0 0 101 -2,-0.3 -4,-0.2 -3,-0.1 -30,-0.2 -0.500 46.5-125.0 -66.0 139.3 12.4 -17.2 19.7 72 74 A S - 0 0 70 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.2 -0.445 11.9-138.8 -78.7 159.5 11.6 -13.6 19.1 73 75 A T E -J 65 0B 16 -8,-2.6 -8,-2.2 -2,-0.1 2,-0.4 -0.994 22.3-171.7-117.1 125.4 12.6 -10.7 21.5 74 76 A T E -J 64 0B 99 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.935 9.2-179.7-118.2 148.9 10.1 -7.9 22.1 75 77 A V E -J 63 0B 8 -12,-2.3 -12,-2.4 -2,-0.4 2,-0.3 -0.995 4.0-178.0-138.7 145.7 10.4 -4.6 23.9 76 78 A S E -J 62 0B 31 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.994 7.4-170.8-139.7 149.9 7.8 -1.9 24.5 77 79 A Y E -J 61 0B 79 -16,-2.1 -16,-2.3 -2,-0.3 2,-0.6 -0.981 24.2-131.4-139.9 128.9 7.7 1.5 26.1 78 80 A D E +J 60 0B 104 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.713 50.8 143.1 -75.7 118.2 4.6 3.6 26.9 79 81 A V - 0 0 21 -20,-1.6 2,-1.1 -2,-0.6 3,-0.1 -0.962 54.2-131.0-157.6 134.0 5.5 7.1 25.5 80 82 A D > - 0 0 42 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.805 26.6-169.4 -84.4 96.5 3.7 10.0 23.7 81 83 A L G >> S+ 0 0 2 -2,-1.1 4,-2.5 1,-0.3 3,-1.3 0.715 78.4 67.9 -65.4 -22.6 6.2 10.5 20.9 82 84 A N G 34 S+ 0 0 42 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.595 98.5 53.5 -76.2 -3.7 4.6 13.7 19.8 83 85 A N G <4 S+ 0 0 125 -3,-1.9 -1,-0.3 3,-0.0 -2,-0.2 0.433 116.3 38.9 -95.9 -5.7 5.8 15.2 23.1 84 86 A V T <4 S+ 0 0 26 -3,-1.3 -2,-0.2 -4,-0.2 -3,-0.1 0.785 111.1 53.5-107.3 -48.8 9.4 14.1 22.4 85 87 A L S < S- 0 0 11 -4,-2.5 -1,-0.1 1,-0.1 4,-0.1 -0.530 80.5-112.3 -95.3 152.7 9.9 14.6 18.6 86 88 A P - 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