==== 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 2JE9 . 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) . 33347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 67.1 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 . 412 43.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 95 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 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 . 4 12 0 4 8 12 8 3 7 0 3 1 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 3 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 0 153 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.2 7.3 -9.0 34.9 2 3 A A - 0 0 72 1,-0.1 232,-0.1 218,-0.0 218,-0.0 -0.271 360.0 -95.9 -62.7 155.0 4.6 -11.4 33.7 3 4 A D - 0 0 40 218,-0.2 2,-0.5 230,-0.1 -1,-0.1 -0.252 33.5-118.1 -57.5 160.7 5.6 -15.0 32.9 4 5 A T - 0 0 38 2,-0.0 213,-0.8 26,-0.0 2,-0.4 -0.964 38.8-169.4-107.7 121.5 6.2 -15.9 29.2 5 6 A I E +A 216 0A 3 -2,-0.5 26,-2.9 211,-0.2 2,-0.4 -0.919 24.6 178.0-123.2 130.9 3.7 -18.6 28.1 6 7 A V E +AB 215 30A 2 209,-2.2 209,-2.7 -2,-0.4 2,-0.3 -0.986 29.1 166.4-119.2 134.3 3.3 -20.8 25.0 7 8 A A E -AB 214 29A 1 22,-2.6 22,-2.9 -2,-0.4 2,-0.5 -0.999 40.8-141.9-148.5 150.8 0.2 -23.1 25.2 8 9 A V E -AB 213 28A 2 205,-3.1 205,-2.0 -2,-0.3 2,-0.4 -0.985 34.6-156.9-108.0 122.8 -2.1 -25.5 23.4 9 10 A E E -AB 212 27A 0 18,-2.4 18,-1.9 -2,-0.5 2,-0.7 -0.814 23.7-160.1-106.6 137.2 -5.7 -24.9 24.8 10 11 A L E -AB 211 26A 0 201,-3.2 201,-1.7 -2,-0.4 2,-0.8 -0.939 28.0-168.8-104.4 97.2 -8.7 -27.3 24.8 11 12 A D E +AB 210 25A 1 14,-2.4 14,-2.2 -2,-0.7 199,-0.2 -0.818 18.4 175.7-101.4 106.5 -11.2 -24.5 25.3 12 13 A S + 0 0 3 197,-1.0 198,-0.2 -2,-0.8 -1,-0.1 0.647 64.6 60.9 -82.6 -18.7 -14.6 -25.9 26.1 13 14 A Y S S- 0 0 52 196,-1.0 2,-0.6 10,-0.1 -1,-0.1 -0.944 77.7-134.3-119.9 116.1 -16.4 -22.5 26.8 14 15 A P - 0 0 32 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.513 18.7-176.7 -72.4 108.9 -16.7 -19.7 24.1 15 16 A N > > + 0 0 17 -2,-0.6 5,-2.2 1,-0.2 3,-1.4 -0.812 7.5 174.1 -98.6 83.0 -15.8 -16.3 25.6 16 17 A T G > 5S+ 0 0 80 -2,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.753 70.5 70.3 -71.1 -18.0 -16.6 -14.2 22.5 17 18 A D G 3 5S+ 0 0 113 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.752 105.6 40.3 -68.6 -17.4 -16.0 -11.0 24.5 18 19 A I G < 5S- 0 0 8 -3,-1.4 -1,-0.2 15,-0.0 -2,-0.2 -0.014 131.4 -86.5-118.8 28.9 -12.3 -11.9 24.5 19 20 A G T < 5S+ 0 0 50 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.494 74.5 148.7 91.5 2.1 -12.0 -13.2 21.0 20 21 A D < - 0 0 15 -5,-2.2 -1,-0.3 1,-0.1 14,-0.0 -0.448 54.5-108.0 -62.5 143.4 -13.0 -16.9 21.3 21 22 A P - 0 0 26 0, 0.0 2,-1.7 0, 0.0 -6,-0.1 -0.388 39.8-102.9 -59.5 156.4 -14.7 -18.4 18.3 22 23 A N S S+ 0 0 128 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.251 99.1 48.9 -84.6 50.0 -18.4 -19.0 19.1 23 24 A Y S S- 0 0 71 -2,-1.7 -10,-0.1 -12,-0.1 -12,-0.1 -0.934 103.8 -69.9-170.4 156.8 -18.0 -22.8 19.7 24 25 A P + 0 0 35 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.333 66.6 169.8 -55.2 142.3 -15.7 -25.2 21.7 25 26 A H E -BC 11 40A 0 -14,-2.2 -14,-2.4 15,-0.3 2,-0.3 -0.963 38.6-123.1-152.9 159.9 -12.3 -25.1 20.0 26 27 A I E -BC 10 39A 0 13,-2.5 13,-1.9 -2,-0.3 2,-0.3 -0.872 38.9-179.5-102.7 147.6 -8.6 -26.0 20.1 27 28 A G E -BC 9 38A 0 -18,-1.9 -18,-2.4 -2,-0.3 2,-0.6 -0.990 32.5-130.0-148.9 154.2 -6.0 -23.2 19.9 28 29 A I E -BC 8 37A 0 9,-2.4 8,-2.6 -2,-0.3 9,-1.0 -0.963 28.3-161.6-106.4 119.3 -2.4 -22.3 19.9 29 30 A D E -B 7 0A 0 -22,-2.9 -22,-2.6 -2,-0.6 2,-0.6 -0.912 11.0-176.0-107.9 120.3 -1.6 -19.4 22.4 30 31 A I E S-B 6 0A 13 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.937 78.3 -39.1-119.6 98.7 1.7 -17.4 22.0 31 32 A K S S+ 0 0 127 -26,-2.9 2,-0.3 -2,-0.6 -25,-0.1 0.565 127.4 71.6 62.1 11.9 1.9 -15.0 24.9 32 33 A S S S- 0 0 9 -27,-0.2 -2,-0.2 1,-0.1 4,-0.1 -0.988 77.5-131.1-154.1 147.6 -1.8 -14.2 24.8 33 34 A I S S+ 0 0 2 205,-0.6 2,-1.1 203,-0.4 204,-0.1 0.678 93.9 89.3 -68.3 -20.6 -5.1 -15.9 25.7 34 35 A R S S- 0 0 105 204,-0.5 -4,-0.3 -4,-0.1 -1,-0.1 -0.729 88.6-130.7 -85.7 100.1 -6.2 -14.8 22.2 35 36 A S - 0 0 28 -2,-1.1 -6,-0.3 1,-0.1 3,-0.1 -0.131 9.1-144.9 -60.4 143.2 -5.1 -17.8 20.2 36 37 A K S S+ 0 0 100 -8,-2.6 2,-0.3 1,-0.3 -7,-0.1 0.784 90.2 17.5 -77.2 -24.2 -3.0 -17.2 17.0 37 38 A S E S-C 28 0A 34 -9,-1.0 -9,-2.4 41,-0.1 2,-0.3 -0.994 72.2-178.1-151.5 137.4 -4.7 -20.2 15.4 38 39 A T E -C 27 0A 58 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.870 9.9-166.1-132.9 160.3 -7.9 -22.1 16.2 39 40 A A E -C 26 0A 23 -13,-1.9 -13,-2.5 -2,-0.3 2,-0.1 -0.964 36.8-101.8-146.2 141.2 -10.0 -25.1 15.0 40 41 A R E -C 25 0A 135 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.3 -0.364 36.9-151.4 -64.4 128.4 -13.5 -26.1 15.9 41 42 A W - 0 0 5 -17,-2.5 2,-1.4 -30,-0.2 -1,-0.1 -0.901 8.4-151.7-109.6 117.8 -13.5 -28.9 18.4 42 43 A N - 0 0 100 -2,-0.6 -17,-0.1 30,-0.1 30,-0.0 -0.642 27.2-151.6 -87.3 85.5 -16.4 -31.4 18.6 43 44 A M - 0 0 46 -2,-1.4 2,-0.3 1,-0.1 -2,-0.0 -0.180 16.4-158.2 -60.0 147.6 -16.3 -32.3 22.3 44 45 A Q > - 0 0 64 3,-0.2 3,-2.7 156,-0.0 156,-0.2 -0.737 18.6-156.0-122.7 74.2 -17.5 -35.7 23.6 45 46 A T T 3 S+ 0 0 65 -2,-0.3 156,-0.2 1,-0.3 3,-0.1 -0.235 80.7 26.0 -51.6 129.6 -18.2 -34.8 27.2 46 47 A G T 3 S+ 0 0 41 154,-3.6 2,-0.3 1,-0.3 -1,-0.3 0.301 103.1 100.4 96.7 -16.1 -17.9 -38.0 29.2 47 48 A K S < S- 0 0 126 -3,-2.7 153,-0.6 153,-0.3 2,-0.4 -0.815 78.8-108.7-106.2 150.7 -15.5 -39.8 26.8 48 49 A V E -H 199 0B 64 -2,-0.3 21,-0.7 151,-0.1 2,-0.3 -0.603 40.3-167.9 -77.5 123.1 -11.7 -40.2 27.1 49 50 A G E -HI 198 68B 0 149,-2.0 149,-2.1 -2,-0.4 2,-0.4 -0.724 10.1-145.0-107.6 168.5 -9.9 -38.0 24.6 50 51 A T E -HI 197 67B 1 17,-2.3 17,-2.4 -2,-0.3 2,-0.4 -0.988 6.8-162.9-132.9 139.0 -6.2 -37.8 23.5 51 52 A V E -HI 196 66B 0 145,-2.5 145,-1.7 -2,-0.4 2,-0.4 -0.986 1.8-168.0-122.4 131.6 -4.1 -34.8 22.5 52 53 A H E -HI 195 65B 8 13,-2.6 13,-2.1 -2,-0.4 2,-0.4 -0.986 7.6-174.1-119.3 132.9 -0.8 -35.0 20.6 53 54 A I E +HI 194 64B 1 141,-3.1 141,-2.1 -2,-0.4 2,-0.3 -0.964 4.8 176.6-127.2 139.3 1.5 -31.9 20.4 54 55 A S E +HI 193 63B 15 9,-2.3 9,-2.6 -2,-0.4 2,-0.3 -0.994 8.0 172.2-145.8 151.0 4.7 -31.5 18.3 55 56 A Y E -H 192 0B 15 137,-2.1 137,-2.4 -2,-0.3 2,-0.3 -0.970 5.8-175.9-157.1 144.0 7.3 -28.9 17.4 56 57 A N E >> -H 191 0B 20 -2,-0.3 4,-2.6 5,-0.3 5,-0.6 -0.984 26.3-137.9-143.7 132.3 10.7 -28.9 15.6 57 58 A S T 45S+ 0 0 9 133,-2.7 134,-0.1 -2,-0.3 26,-0.1 0.598 102.9 53.5 -71.8 -14.0 12.9 -25.8 15.3 58 59 A V T 45S+ 0 0 12 132,-0.2 -1,-0.2 1,-0.1 723,-0.1 0.918 116.1 35.9 -81.2 -55.9 13.7 -26.5 11.6 59 60 A A T 45S- 0 0 10 721,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.845 93.0-154.0 -61.7 -35.0 10.1 -26.8 10.4 60 61 A K T <5 + 0 0 84 -4,-2.6 20,-1.7 1,-0.2 2,-0.4 0.898 48.6 126.9 58.1 48.0 9.1 -24.0 12.9 61 62 A R E < - J 0 79B 33 -5,-0.6 2,-0.6 18,-0.3 -5,-0.3 -0.954 47.4-156.6-140.2 113.0 5.5 -25.3 13.1 62 63 A L E - J 0 78B 2 16,-2.8 16,-1.9 -2,-0.4 2,-0.3 -0.820 24.9-178.7 -90.1 125.1 3.8 -26.0 16.4 63 64 A S E -IJ 54 77B 3 -9,-2.6 -9,-2.3 -2,-0.6 2,-0.3 -0.930 14.9-172.5-130.7 153.8 0.9 -28.5 15.8 64 65 A A E -IJ 53 76B 1 12,-2.6 12,-2.4 -2,-0.3 2,-0.4 -0.989 3.2-168.1-142.4 143.9 -1.8 -30.2 17.9 65 66 A V E -IJ 52 75B 2 -13,-2.1 -13,-2.6 -2,-0.3 2,-0.4 -0.996 3.4-164.6-135.9 134.0 -4.3 -33.0 17.3 66 67 A V E +IJ 51 74B 3 8,-2.3 8,-2.3 -2,-0.4 2,-0.3 -0.965 19.7 161.4-115.2 131.8 -7.3 -34.0 19.5 67 68 A S E -I 50 0B 2 -17,-2.4 -17,-2.3 -2,-0.4 2,-0.3 -0.948 23.1-154.9-143.1 166.5 -9.2 -37.3 19.0 68 69 A Y E > -I 49 0B 11 -2,-0.3 3,-1.9 -19,-0.2 -19,-0.1 -0.933 49.3 -71.0-134.4 161.7 -11.5 -39.8 20.7 69 70 A S T 3 S- 0 0 102 -21,-0.7 3,-0.1 -2,-0.3 766,-0.0 -0.327 118.2 -3.4 -53.7 123.3 -12.1 -43.5 20.1 70 71 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 833,-0.1 2,-0.3 0.651 110.5 111.1 69.6 20.4 -13.9 -43.9 16.8 71 72 A S S < S- 0 0 44 -3,-1.9 -1,-0.2 1,-0.0 2,-0.2 -0.776 73.9 -94.1-120.9 165.5 -14.3 -40.2 16.1 72 73 A S - 0 0 92 -2,-0.3 2,-0.2 -3,-0.1 -30,-0.1 -0.518 45.4-122.2 -72.6 144.9 -12.9 -37.7 13.6 73 74 A S - 0 0 52 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.2 -0.533 11.1-139.6 -92.1 158.5 -9.9 -35.8 14.8 74 75 A T E -J 66 0B 15 -8,-2.3 -8,-2.3 -2,-0.2 2,-0.3 -0.973 22.2-167.0-114.7 132.2 -9.5 -32.0 15.1 75 76 A T E -J 65 0B 69 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.904 10.8-179.8-123.6 149.2 -6.1 -30.4 14.1 76 77 A V E +J 64 0B 7 -12,-2.4 -12,-2.6 -2,-0.3 2,-0.3 -0.992 4.6 179.5-147.6 142.5 -4.5 -27.0 14.6 77 78 A S E -J 63 0B 38 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.962 8.6-173.5-140.9 153.8 -1.1 -25.5 13.5 78 79 A Y E -J 62 0B 79 -16,-1.9 -16,-2.8 -2,-0.3 2,-0.5 -0.963 24.5-130.9-148.6 132.2 0.9 -22.3 13.8 79 80 A D E +J 61 0B 91 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.766 49.4 143.3 -79.5 122.0 4.2 -21.3 12.2 80 81 A V - 0 0 19 -20,-1.7 2,-0.8 -2,-0.5 3,-0.1 -0.974 51.5-130.3-163.7 140.3 6.4 -19.8 14.9 81 82 A D > - 0 0 41 -2,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.874 19.6-165.4 -97.7 104.9 10.1 -19.7 16.0 82 83 A L G >> S+ 0 0 5 -2,-0.8 4,-2.7 1,-0.3 3,-1.3 0.759 82.5 68.9 -68.8 -24.5 9.9 -20.7 19.7 83 84 A N G 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.2 100,-0.0 0.781 99.2 51.6 -57.8 -32.2 13.6 -19.5 20.3 84 85 A N G <4 S+ 0 0 123 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.555 119.0 35.7 -79.5 -8.6 12.3 -15.9 19.7 85 86 A V T <4 S+ 0 0 27 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.819 111.9 46.8-110.5 -53.1 9.5 -16.3 22.3 86 87 A L S < S- 0 0 11 -4,-2.7 -1,-0.1 1,-0.1 4,-0.1 -0.540 80.4-107.0 -96.8 157.4 10.7 -18.5 25.2 87 88 A P - 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