==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 16-JAN-07 2JEC . COMPND 2 MOLECULE: LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA GRANDIFLORA; . AUTHOR C.S.NAGANO,L.SANZ,B.S.CAVADA,J.J.CALVETE . 952 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 628 66.0 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 . 407 42.8 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 91 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 4 12 0 4 9 12 11 2 4 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 2 0 0 0 0 0 0 0 2 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 2 A M 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.6 -7.3 -8.6 -35.1 2 3 A A - 0 0 70 1,-0.1 232,-0.1 218,-0.0 218,-0.0 -0.229 360.0 -99.3 -63.8 153.2 -4.6 -11.0 -33.6 3 4 A D - 0 0 38 218,-0.2 2,-0.5 230,-0.1 -1,-0.1 -0.261 31.8-120.1 -59.3 160.1 -5.5 -14.7 -32.7 4 5 A T - 0 0 38 2,-0.0 213,-0.8 26,-0.0 2,-0.4 -0.965 38.5-169.4-108.9 120.0 -6.2 -15.5 -29.1 5 6 A I E +A 216 0A 2 -2,-0.5 26,-3.1 211,-0.2 2,-0.4 -0.918 26.7 176.3-123.0 132.7 -3.7 -18.1 -27.9 6 7 A V E +AB 215 30A 2 209,-2.1 209,-2.7 -2,-0.4 2,-0.3 -0.999 29.3 167.2-121.0 133.2 -3.2 -20.4 -24.9 7 8 A A E -AB 214 29A 1 22,-2.8 22,-3.0 -2,-0.4 2,-0.5 -0.979 40.4-141.2-147.4 156.1 -0.3 -22.7 -25.1 8 9 A V E -AB 213 28A 2 205,-2.9 205,-1.9 -2,-0.3 2,-0.4 -0.992 35.5-157.2-110.7 119.7 2.1 -25.0 -23.4 9 10 A E E -AB 212 27A 0 18,-2.3 18,-1.9 -2,-0.5 2,-0.8 -0.827 24.4-160.4-105.1 134.8 5.6 -24.5 -24.7 10 11 A L E -AB 211 26A 0 201,-3.4 201,-1.6 -2,-0.4 2,-0.8 -0.910 27.1-169.1-100.9 97.5 8.6 -26.8 -24.8 11 12 A D E +AB 210 25A 1 14,-2.4 14,-2.2 -2,-0.8 199,-0.2 -0.792 17.6 175.6-100.3 105.7 11.1 -24.0 -25.3 12 13 A S + 0 0 3 197,-1.2 198,-0.2 -2,-0.8 -1,-0.2 0.707 64.5 60.7 -83.1 -22.5 14.5 -25.4 -26.1 13 14 A Y S S- 0 0 53 196,-1.0 2,-0.7 10,-0.1 -1,-0.1 -0.930 78.1-133.3-116.2 119.0 16.2 -22.0 -26.7 14 15 A P - 0 0 29 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.542 19.0-176.3 -74.4 110.5 16.6 -19.3 -24.1 15 16 A N > > + 0 0 17 -2,-0.7 5,-1.8 1,-0.1 3,-1.8 -0.762 7.7 173.9-100.1 80.1 15.7 -15.9 -25.6 16 17 A T G > 5S+ 0 0 85 -2,-0.8 3,-1.0 1,-0.3 -1,-0.1 0.687 70.2 68.9 -65.9 -18.0 16.5 -13.8 -22.5 17 18 A D G 3 5S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.714 106.5 40.4 -73.1 -17.6 15.9 -10.5 -24.4 18 19 A I G < 5S- 0 0 8 -3,-1.8 -1,-0.2 15,-0.0 -2,-0.2 -0.053 131.4 -83.9-121.4 30.7 12.2 -11.4 -24.5 19 20 A G T < 5S+ 0 0 48 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.438 76.8 143.3 93.2 0.2 11.8 -12.8 -21.0 20 21 A D < - 0 0 12 -5,-1.8 -1,-0.3 1,-0.1 14,-0.1 -0.466 55.6-110.9 -65.0 143.6 12.9 -16.4 -21.2 21 22 A P - 0 0 25 0, 0.0 2,-1.4 0, 0.0 -6,-0.1 -0.366 38.6-101.0 -61.1 158.5 14.7 -17.9 -18.3 22 23 A N S S+ 0 0 129 -8,-0.1 -2,-0.0 -6,-0.1 3,-0.0 -0.198 100.0 51.4 -82.2 47.9 18.4 -18.6 -19.1 23 24 A Y S S- 0 0 70 -2,-1.4 -10,-0.1 -12,-0.1 19,-0.1 -0.951 102.7 -74.4-167.4 156.3 17.8 -22.4 -19.7 24 25 A P + 0 0 33 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.364 64.9 171.2 -56.8 143.2 15.5 -24.6 -21.7 25 26 A H E -BC 11 40A 0 -14,-2.2 -14,-2.4 15,-0.3 2,-0.3 -0.977 37.5-123.2-152.8 158.5 12.2 -24.6 -20.0 26 27 A I E +BC 10 39A 0 13,-2.6 13,-2.1 -2,-0.3 2,-0.3 -0.819 39.7 178.0 -99.5 151.4 8.5 -25.6 -20.2 27 28 A G E -BC 9 38A 0 -18,-1.9 -18,-2.3 -2,-0.3 2,-0.6 -0.990 33.9-128.2-153.2 158.7 5.9 -22.8 -19.9 28 29 A I E -BC 8 37A 0 9,-2.1 8,-2.8 -2,-0.3 9,-0.9 -0.972 28.5-161.2-112.3 120.7 2.3 -21.9 -19.9 29 30 A D E -B 7 0A 0 -22,-3.0 -22,-2.8 -2,-0.6 2,-0.6 -0.899 9.8-174.1-110.1 119.5 1.6 -19.0 -22.3 30 31 A I E S-B 6 0A 13 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.908 77.1 -37.7-118.2 98.8 -1.6 -17.0 -22.0 31 32 A K S S+ 0 0 127 -26,-3.1 2,-0.3 -2,-0.6 -25,-0.1 0.621 128.1 67.6 63.1 19.3 -2.0 -14.6 -24.8 32 33 A S S S- 0 0 8 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.972 78.2-128.9-164.3 146.2 1.8 -13.9 -24.8 33 34 A I S S+ 0 0 1 205,-0.5 2,-1.3 203,-0.3 204,-0.1 0.719 93.8 89.3 -65.4 -26.3 5.1 -15.6 -25.6 34 35 A R S S- 0 0 105 204,-0.4 -4,-0.3 -4,-0.1 -15,-0.1 -0.666 90.0-128.8 -78.8 95.9 6.2 -14.4 -22.1 35 36 A S - 0 0 28 -2,-1.3 -6,-0.3 1,-0.1 3,-0.1 -0.103 8.6-143.8 -51.3 141.0 5.1 -17.4 -20.1 36 37 A K S S+ 0 0 101 -8,-2.8 2,-0.3 1,-0.3 -7,-0.1 0.727 90.9 12.6 -75.3 -21.1 2.9 -16.8 -17.0 37 38 A S E S-C 28 0A 35 -9,-0.9 -9,-2.1 41,-0.1 2,-0.3 -0.979 73.0-176.6-157.6 137.3 4.7 -19.7 -15.4 38 39 A T E -C 27 0A 56 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.902 9.6-164.3-133.5 162.0 7.8 -21.7 -16.3 39 40 A A E -C 26 0A 22 -13,-2.1 -13,-2.6 -2,-0.3 2,-0.1 -0.975 36.9-100.1-143.7 143.9 9.9 -24.7 -15.0 40 41 A R E -C 25 0A 138 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.3 -0.379 37.6-150.5 -62.7 130.6 13.4 -25.7 -15.9 41 42 A W - 0 0 5 -17,-2.5 2,-1.5 -30,-0.2 -1,-0.1 -0.922 7.3-150.2-111.0 117.1 13.4 -28.4 -18.5 42 43 A N - 0 0 102 -2,-0.6 -17,-0.1 30,-0.1 30,-0.0 -0.680 27.5-151.4 -86.4 87.5 16.2 -31.0 -18.6 43 44 A M - 0 0 46 -2,-1.5 2,-0.3 1,-0.1 25,-0.0 -0.237 16.0-158.7 -61.0 146.0 16.2 -31.7 -22.3 44 45 A Q > - 0 0 59 3,-0.2 3,-2.3 156,-0.0 156,-0.2 -0.715 17.7-156.0-120.6 79.6 17.3 -35.1 -23.6 45 46 A T T 3 S+ 0 0 64 -2,-0.3 156,-0.2 1,-0.3 3,-0.1 -0.245 79.5 24.8 -56.6 133.0 18.1 -34.3 -27.2 46 47 A G T 3 S+ 0 0 42 154,-3.3 2,-0.3 1,-0.3 -1,-0.3 0.326 103.9 100.7 92.7 -9.8 17.9 -37.4 -29.3 47 48 A K S < S- 0 0 128 -3,-2.3 153,-0.6 153,-0.3 2,-0.4 -0.848 79.3-106.5-113.5 149.8 15.4 -39.2 -27.0 48 49 A V E -G 199 0B 66 -2,-0.3 21,-0.6 151,-0.1 2,-0.3 -0.562 40.8-167.1 -76.0 125.9 11.7 -39.6 -27.3 49 50 A G E -GH 198 68B 0 149,-2.8 149,-2.1 -2,-0.4 2,-0.4 -0.726 9.4-145.6-111.2 162.4 9.8 -37.4 -24.8 50 51 A T E -GH 197 67B 17 17,-2.5 17,-2.1 -2,-0.3 2,-0.4 -0.992 7.5-165.0-129.6 139.6 6.2 -37.3 -23.6 51 52 A V E -GH 196 66B 0 145,-2.6 145,-2.0 -2,-0.4 2,-0.4 -0.980 1.9-169.9-124.7 132.3 4.0 -34.3 -22.6 52 53 A H E -GH 195 65B 30 13,-2.3 13,-2.0 -2,-0.4 2,-0.4 -0.994 7.3-176.4-122.1 134.0 0.7 -34.5 -20.8 53 54 A I E +GH 194 64B 0 141,-3.3 141,-2.6 -2,-0.4 2,-0.3 -0.973 5.4 170.0-129.1 142.8 -1.5 -31.5 -20.4 54 55 A S E +GH 193 63B 11 9,-2.1 9,-2.3 -2,-0.4 2,-0.3 -0.994 6.2 167.4-153.7 153.9 -4.8 -31.1 -18.5 55 56 A Y E -G 192 0B 15 137,-2.2 137,-2.2 -2,-0.3 2,-0.3 -0.975 8.6-171.0-156.0 150.1 -7.3 -28.5 -17.3 56 57 A N E >> -G 191 0B 17 -2,-0.3 4,-2.6 5,-0.3 5,-0.7 -0.972 29.5-128.1-145.8 152.9 -10.8 -28.3 -15.9 57 58 A S T 45S+ 0 0 8 133,-2.7 134,-0.1 -2,-0.3 26,-0.1 0.462 105.4 54.7 -74.4 -9.0 -13.0 -25.3 -15.3 58 59 A V T 45S+ 0 0 11 132,-0.2 -1,-0.2 3,-0.1 723,-0.1 0.882 116.8 33.3 -86.0 -53.6 -13.7 -26.1 -11.7 59 60 A A T 45S- 0 0 7 2,-0.1 -2,-0.2 721,-0.1 3,-0.1 0.859 92.3-153.3 -65.8 -33.2 -10.1 -26.4 -10.5 60 61 A K T <5 + 0 0 77 -4,-2.6 20,-1.7 1,-0.2 2,-0.4 0.911 48.4 130.9 55.5 46.5 -9.1 -23.6 -13.0 61 62 A R E < - I 0 79B 60 -5,-0.7 2,-0.5 18,-0.2 -5,-0.3 -0.944 44.1-160.7-135.2 113.8 -5.6 -25.0 -13.2 62 63 A L E + I 0 78B 2 16,-2.6 16,-2.1 -2,-0.4 2,-0.3 -0.821 23.4 174.1 -91.2 125.3 -3.8 -25.7 -16.4 63 64 A S E -HI 54 77B 2 -9,-2.3 -9,-2.1 -2,-0.5 2,-0.3 -0.944 15.4-172.9-134.2 156.3 -0.8 -28.1 -15.9 64 65 A A E -HI 53 76B 0 12,-2.4 12,-2.3 -2,-0.3 2,-0.4 -0.979 3.9-165.1-143.2 152.1 1.7 -29.9 -18.1 65 66 A V E -HI 52 75B 2 -13,-2.0 -13,-2.3 -2,-0.3 2,-0.4 -0.997 3.0-163.1-139.5 140.0 4.4 -32.5 -17.4 66 67 A V E +HI 51 74B 1 8,-2.3 8,-2.4 -2,-0.4 2,-0.3 -0.983 19.5 161.2-124.3 135.8 7.3 -33.6 -19.7 67 68 A S E -H 50 0B 4 -17,-2.1 -17,-2.5 -2,-0.4 2,-0.3 -0.947 23.9-153.2-146.9 164.1 9.2 -36.8 -19.2 68 69 A Y E > -H 49 0B 7 -2,-0.3 3,-0.9 -19,-0.2 -19,-0.1 -0.932 49.9 -71.8-132.3 160.6 11.5 -39.3 -20.9 69 70 A S T 3 S- 0 0 79 -21,-0.6 2,-0.6 -2,-0.3 768,-0.1 -0.223 117.4 -1.2 -53.5 132.7 12.0 -43.0 -20.3 70 71 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.2 833,-0.1 767,-0.1 0.006 110.9 107.6 80.9 -31.9 13.9 -43.5 -17.0 71 72 A S S < S- 0 0 40 -3,-0.9 -1,-0.2 -2,-0.6 2,-0.2 -0.172 74.9 -98.7 -83.9 170.6 14.3 -39.8 -16.3 72 73 A S - 0 0 97 -3,-0.1 -4,-0.2 -5,-0.1 2,-0.2 -0.508 43.7-118.9 -81.0 156.5 12.7 -37.5 -13.8 73 74 A S - 0 0 48 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.2 -0.522 9.7-138.5-101.5 161.1 9.8 -35.3 -15.0 74 75 A T E -I 66 0B 14 -8,-2.4 -8,-2.3 -2,-0.2 2,-0.3 -0.985 22.8-170.2-115.0 131.1 9.4 -31.5 -15.2 75 76 A T E +I 65 0B 66 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.890 9.3 179.5-120.0 153.2 6.0 -30.0 -14.3 76 77 A V E +I 64 0B 6 -12,-2.3 -12,-2.4 -2,-0.3 2,-0.3 -0.986 5.1 178.9-148.9 142.2 4.4 -26.6 -14.6 77 78 A S E -I 63 0B 18 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.970 8.3-169.8-139.7 160.0 1.0 -25.2 -13.6 78 79 A Y E -I 62 0B 77 -16,-2.1 -16,-2.6 -2,-0.3 2,-0.6 -0.973 25.1-126.0-151.9 133.9 -0.9 -22.0 -13.7 79 80 A D E +I 61 0B 78 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.709 51.2 144.0 -81.5 116.3 -4.2 -20.8 -12.2 80 81 A V - 0 0 17 -20,-1.7 2,-0.8 -2,-0.6 3,-0.1 -0.985 50.6-135.4-156.6 139.4 -6.3 -19.5 -15.0 81 82 A D > - 0 0 46 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.891 20.7-162.6 -97.7 101.4 -10.0 -19.4 -16.0 82 83 A L G >> S+ 0 0 5 -2,-0.8 4,-3.4 1,-0.3 3,-1.3 0.759 83.7 65.6 -58.8 -31.1 -9.8 -20.3 -19.7 83 84 A N G 34 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 100,-0.0 0.742 98.9 54.7 -65.7 -20.8 -13.4 -19.0 -20.4 84 85 A N G <4 S+ 0 0 128 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.574 120.3 32.9 -79.7 -9.6 -12.1 -15.5 -19.5 85 86 A V T <4 S+ 0 0 26 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.810 114.3 47.6-110.8 -53.4 -9.4 -16.0 -22.1 86 87 A L S < S- 0 0 7 -4,-3.4 -1,-0.1 1,-0.1 4,-0.1 -0.584 79.4-108.4 -99.1 153.7 -10.6 -18.2 -25.0 87 88 A P - 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