==== 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 15-JAN-07 2JE7 . COMPND 2 MOLECULE: LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA GUIANENSIS; . AUTHOR C.S.NAGANO,L.SANZ,B.S.CAVADA,J.J.CALVETE . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 65.0 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 . 98 41.4 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 . 3 1.3 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 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 3 0 1 3 1 2 2 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 0 132 0, 0.0 232,-0.0 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 163.5 4.1 23.5 1.0 2 4 A D - 0 0 44 218,-0.1 2,-0.6 230,-0.1 213,-0.0 -0.259 360.0-125.2 -60.9 160.2 7.1 25.7 1.4 3 5 A T - 0 0 40 2,-0.0 213,-0.8 26,-0.0 2,-0.4 -0.974 35.8-168.8-111.5 118.9 10.5 24.5 0.2 4 6 A I E +A 215 0A 2 -2,-0.6 26,-3.0 211,-0.2 2,-0.4 -0.928 25.5 174.7-121.7 129.8 13.0 24.7 3.1 5 7 A V E +AB 214 29A 3 209,-2.3 209,-2.7 -2,-0.4 2,-0.3 -0.998 28.7 166.6-120.0 131.0 16.8 24.4 3.4 6 8 A A E -AB 213 28A 2 22,-2.8 22,-3.2 -2,-0.4 2,-0.6 -0.991 41.5-141.8-144.9 153.7 18.0 25.2 6.9 7 9 A V E -AB 212 27A 2 205,-2.9 205,-2.0 -2,-0.3 2,-0.4 -0.985 34.7-155.3-108.0 119.0 20.8 25.0 9.4 8 10 A E E -AB 211 26A 0 18,-2.5 18,-2.1 -2,-0.6 2,-0.8 -0.814 22.0-161.6-101.0 134.0 19.4 24.2 12.8 9 11 A L E -AB 210 25A 0 201,-3.4 201,-1.8 -2,-0.4 2,-0.9 -0.920 28.4-168.7-103.5 94.4 20.8 24.9 16.2 10 12 A D E +AB 209 24A 1 14,-2.5 14,-2.4 -2,-0.8 199,-0.2 -0.780 19.6 175.8-100.2 102.0 18.7 22.4 17.9 11 13 A S + 0 0 3 197,-0.9 198,-0.2 -2,-0.9 -1,-0.2 0.707 64.3 60.6 -76.8 -22.4 18.8 22.7 21.7 12 14 A Y S S- 0 0 58 196,-1.1 2,-0.8 12,-0.1 -1,-0.1 -0.931 76.9-134.6-119.7 118.9 16.2 20.0 22.5 13 15 A P - 0 0 35 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.608 19.4-177.7 -76.4 111.9 16.5 16.3 21.6 14 16 A N > > + 0 0 18 -2,-0.8 3,-1.9 1,-0.2 5,-1.7 -0.756 7.1 173.5-101.6 79.2 13.2 15.1 20.2 15 17 A T G > 5S+ 0 0 91 -2,-0.9 3,-1.5 1,-0.3 -1,-0.2 0.752 70.6 68.8 -63.7 -24.1 14.3 11.5 19.7 16 18 A D G 3 5S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.658 105.8 41.9 -69.9 -15.6 10.7 10.4 18.7 17 19 A I G < 5S- 0 0 7 -3,-1.9 -1,-0.3 15,-0.1 -2,-0.2 0.005 131.8 -87.3-117.6 27.0 11.2 12.5 15.5 18 20 A G T < 5S+ 0 0 49 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.414 77.2 143.1 92.6 -3.4 14.8 11.4 14.7 19 21 A D < - 0 0 12 -5,-1.7 -1,-0.3 1,-0.1 2,-0.1 -0.339 57.9-107.3 -56.0 149.7 16.9 13.9 16.7 20 22 A P - 0 0 23 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.336 38.9-101.8 -64.4 166.9 20.0 12.5 18.2 21 23 A S S S+ 0 0 92 -8,-0.1 -2,-0.0 -7,-0.1 -6,-0.0 0.049 100.8 56.5 -85.9 27.4 19.7 12.2 22.0 22 24 A Y S S- 0 0 64 -10,-0.1 -8,-0.1 -8,-0.0 -10,-0.1 -0.971 102.0 -79.0-149.3 155.9 21.7 15.3 22.7 23 25 A P + 0 0 36 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.315 65.1 167.9 -53.7 143.4 21.6 19.0 21.6 24 26 A H E -BC 10 39A 0 -14,-2.4 -14,-2.5 15,-0.3 2,-0.3 -0.983 38.7-122.4-157.1 157.4 23.0 19.2 18.1 25 27 A I E +BC 9 38A 0 13,-2.4 13,-2.1 -2,-0.3 2,-0.3 -0.815 39.4 179.5-103.0 155.9 23.5 21.3 15.0 26 28 A G E -BC 8 37A 0 -18,-2.1 -18,-2.5 -2,-0.3 2,-0.5 -0.995 34.2-123.7-155.8 158.8 22.1 20.0 11.7 27 29 A I E -BC 7 36A 0 9,-2.4 8,-2.6 -2,-0.3 9,-0.9 -0.944 30.1-163.3-105.3 121.3 21.5 20.5 8.0 28 30 A D E -B 6 0A 0 -22,-3.2 -22,-2.8 -2,-0.5 2,-0.6 -0.933 10.3-176.4-112.2 119.0 17.8 20.2 7.0 29 31 A I E S-B 5 0A 12 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.932 77.6 -38.9-118.2 102.3 16.8 19.7 3.4 30 32 A K S S+ 0 0 129 -26,-3.0 2,-0.3 -2,-0.6 -25,-0.1 0.601 128.1 70.4 57.0 20.1 13.0 19.8 3.0 31 33 A S S S- 0 0 9 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.978 76.8-133.0-159.5 146.6 12.6 17.9 6.3 32 34 A I S S+ 0 0 1 205,-0.6 2,-1.3 203,-0.3 204,-0.1 0.683 92.1 91.0 -68.0 -20.6 13.1 18.5 10.1 33 35 A R S S- 0 0 102 204,-0.5 -4,-0.3 -4,-0.1 -1,-0.1 -0.671 89.4-128.9 -82.7 94.7 14.9 15.1 10.1 34 36 A S - 0 0 28 -2,-1.3 -6,-0.2 1,-0.1 3,-0.1 -0.064 10.2-145.6 -53.3 140.2 18.4 16.4 9.5 35 37 A K S S+ 0 0 102 -8,-2.6 2,-0.3 1,-0.3 -7,-0.1 0.730 89.8 10.7 -75.0 -24.5 20.5 15.0 6.7 36 38 A S E S-C 27 0A 37 -9,-0.9 -9,-2.4 41,-0.1 2,-0.3 -0.963 73.2-178.4-152.4 140.6 23.6 15.5 8.8 37 39 A T E -C 26 0A 54 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.929 10.1-159.8-136.2 162.4 24.1 16.4 12.5 38 40 A A E -C 25 0A 21 -13,-2.1 -13,-2.4 -2,-0.3 2,-0.2 -0.994 35.3 -98.6-140.6 145.4 26.8 17.1 15.0 39 41 A R E -C 24 0A 167 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.3 -0.412 39.5-162.8 -62.3 126.8 26.9 17.0 18.8 40 42 A W - 0 0 2 -17,-2.5 2,-1.6 -2,-0.2 -1,-0.1 -0.936 14.8-158.2-120.5 109.2 26.5 20.6 20.1 41 43 A N - 0 0 111 -2,-0.6 2,-0.2 -19,-0.1 -17,-0.1 -0.674 26.4-158.0 -84.1 90.0 27.5 21.4 23.7 42 44 A M - 0 0 25 -2,-1.6 2,-0.8 -31,-0.1 -2,-0.0 -0.488 8.3-143.6 -76.6 139.5 25.4 24.5 23.9 43 45 A Q > - 0 0 43 -2,-0.2 3,-2.0 3,-0.1 156,-0.3 -0.831 13.1-148.2-106.9 91.0 26.4 27.1 26.5 44 46 A T T 3 S+ 0 0 53 -2,-0.8 156,-0.2 1,-0.3 3,-0.1 -0.321 84.1 24.7 -59.3 138.3 23.2 28.7 27.9 45 47 A G T 3 S+ 0 0 41 154,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.348 103.0 102.1 89.3 -4.7 23.9 32.3 28.9 46 48 A K S < S- 0 0 115 -3,-2.0 153,-0.6 153,-0.4 2,-0.5 -0.862 76.3-112.7-113.9 147.2 26.8 32.7 26.5 47 49 A V E -H 198 0B 73 -2,-0.3 21,-0.5 151,-0.2 2,-0.2 -0.622 37.9-167.1 -77.7 123.7 26.9 34.5 23.2 48 50 A G E -H 197 0B 0 149,-2.6 149,-2.1 -2,-0.5 2,-0.4 -0.670 10.8-144.6-106.4 164.9 27.5 32.1 20.3 49 51 A T E -HI 196 66B 35 17,-2.4 17,-2.9 -2,-0.2 2,-0.4 -0.993 8.0-164.0-129.0 137.9 28.4 32.7 16.6 50 52 A A E -HI 195 65B 0 145,-2.9 145,-2.1 -2,-0.4 2,-0.4 -0.990 2.6-170.8-121.3 135.0 27.2 30.7 13.6 51 53 A H E -HI 194 64B 83 13,-2.5 13,-2.2 -2,-0.4 2,-0.4 -0.994 6.9-175.3-125.9 128.0 28.8 30.8 10.2 52 54 A I E +HI 193 63B 4 141,-3.1 141,-2.6 -2,-0.4 2,-0.3 -0.963 5.7 174.1-128.0 138.0 27.2 29.1 7.2 53 55 A S E +HI 192 62B 47 9,-2.2 9,-2.5 -2,-0.4 2,-0.3 -0.996 8.2 165.3-147.5 153.2 28.5 28.7 3.7 54 56 A Y E -H 191 0B 7 137,-2.2 137,-2.3 -2,-0.3 2,-0.3 -0.968 8.3-173.5-159.2 142.1 27.8 27.1 0.4 55 57 A N E >> -H 190 0B 56 -2,-0.3 4,-2.5 5,-0.3 5,-0.6 -0.994 30.1-128.6-140.5 153.9 28.9 27.3 -3.2 56 58 A S T 45S+ 0 0 6 133,-3.0 134,-0.1 -2,-0.3 26,-0.0 0.533 105.0 54.7 -74.9 -8.6 27.5 25.6 -6.3 57 59 A V T 45S+ 0 0 103 132,-0.2 -1,-0.2 1,-0.1 133,-0.0 0.923 117.4 32.7 -85.0 -56.9 30.8 24.2 -7.4 58 60 A A T 45S- 0 0 63 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.820 90.6-155.8 -64.3 -33.0 31.8 22.4 -4.2 59 61 A K T <5 + 0 0 79 -4,-2.5 20,-1.7 1,-0.2 2,-0.4 0.892 46.9 130.0 53.0 46.0 28.1 21.6 -3.5 60 62 A R E < - J 0 78B 131 -5,-0.6 2,-0.5 18,-0.2 -5,-0.3 -0.941 46.4-155.9-132.3 112.2 28.8 21.3 0.3 61 63 A L E + J 0 77B 2 16,-2.5 16,-2.0 -2,-0.4 2,-0.3 -0.756 24.7 179.4 -86.0 126.3 26.6 23.2 2.7 62 64 A S E -IJ 53 76B 27 -9,-2.5 -9,-2.2 -2,-0.5 2,-0.3 -0.932 15.5-173.9-130.5 154.1 28.6 23.8 5.9 63 65 A A E -IJ 52 75B 3 12,-2.6 12,-2.4 -2,-0.3 2,-0.4 -0.998 5.1-167.8-142.7 147.3 28.0 25.4 9.3 64 66 A V E -IJ 51 74B 37 -13,-2.2 -13,-2.5 -2,-0.3 2,-0.5 -1.000 4.6-167.1-134.1 133.8 30.2 26.1 12.3 65 67 A V E +IJ 50 73B 0 8,-3.0 8,-2.8 -2,-0.4 2,-0.3 -0.984 17.4 177.9-124.9 125.9 28.8 27.2 15.7 66 68 A S E -IJ 49 72B 32 -17,-2.9 -17,-2.4 -2,-0.5 2,-0.4 -0.936 28.7-161.5-133.9 150.0 31.3 28.5 18.3 67 69 A Y E >> - J 0 71B 8 4,-2.4 3,-1.9 -2,-0.3 4,-1.7 -0.999 47.7 -99.8-122.0 132.9 31.5 30.0 21.7 68 70 A S T 34 S- 0 0 122 -21,-0.5 4,-0.0 -2,-0.4 -21,-0.0 -0.198 100.0 -2.6 -59.5 130.4 34.8 31.8 22.4 69 71 A G T 34 S+ 0 0 97 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.283 130.0 61.8 77.6 -8.7 37.3 29.8 24.3 70 72 A T T <4 S- 0 0 87 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.820 100.1 -8.2-115.5 -54.3 35.0 26.8 24.7 71 73 A S E < -J 67 0B 31 -4,-1.7 -4,-2.4 2,-0.0 2,-0.4 -0.999 31.2-165.3-159.7 147.8 33.8 25.0 21.6 72 74 A S E -J 66 0B 83 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.980 19.4-170.1-134.9 118.4 33.5 24.9 17.9 73 75 A T E -J 65 0B 14 -8,-2.8 -8,-3.0 -2,-0.4 2,-0.3 -0.952 5.7-168.2-116.2 134.6 31.0 22.5 16.4 74 76 A T E +J 64 0B 90 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.942 11.2 175.5-127.5 143.3 30.9 21.8 12.7 75 77 A V E +J 63 0B 6 -12,-2.4 -12,-2.6 -2,-0.3 2,-0.3 -0.991 5.3 177.7-145.3 144.1 28.5 20.1 10.3 76 78 A S E -J 62 0B 51 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.967 7.8-171.4-142.5 156.7 28.5 19.6 6.6 77 79 A Y E -J 61 0B 80 -16,-2.0 -16,-2.5 -2,-0.3 2,-0.6 -0.956 23.8-129.4-153.5 133.3 26.4 17.9 3.9 78 80 A D E +J 60 0B 93 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.737 49.8 139.0 -84.9 121.3 26.9 17.4 0.2 79 81 A V - 0 0 21 -20,-1.7 2,-1.1 -2,-0.6 3,-0.1 -0.968 57.4-122.8-162.6 140.8 23.9 18.6 -1.7 80 82 A D >> - 0 0 64 -2,-0.3 3,-0.9 1,-0.2 4,-0.7 -0.790 33.5-179.1 -88.1 97.3 23.1 20.4 -4.9 81 83 A L H 3> S+ 0 0 0 -2,-1.1 4,-2.9 1,-0.3 3,-0.5 0.782 75.3 62.3 -73.6 -28.3 21.0 23.2 -3.3 82 84 A N H 34 S+ 0 0 20 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.665 103.4 53.2 -76.3 -11.8 20.3 25.0 -6.5 83 85 A N H <4 S+ 0 0 129 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.714 114.3 40.6 -78.5 -32.3 18.5 21.8 -7.5 84 86 A V H < S+ 0 0 28 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.862 110.8 60.0 -84.3 -43.6 16.4 21.8 -4.3 85 87 A L S < S- 0 0 10 -4,-2.9 4,-0.1 1,-0.1 -81,-0.1 -0.516 85.7-108.2 -93.3 153.2 15.6 25.5 -4.1 86 88 A P - 0 0 50 0, 0.0 95,-0.2 0, 0.0 -1,-0.1 -0.282 37.3-105.2 -70.3 170.4 13.7 27.8 -6.5 87 89 A E S S+ 0 0 82 94,-0.1 94,-2.0 93,-0.1 95,-1.2 0.846 109.3 44.1 -66.3 -37.5 15.7 30.4 -8.4 88 90 A W E S+D 180 0A 128 92,-0.2 129,-0.6 93,-0.2 2,-0.3 -0.919 76.2 163.3-110.2 136.0 14.4 33.3 -6.2 89 91 A V E -DE 179 216A 0 90,-2.6 90,-3.4 -2,-0.4 2,-0.4 -0.870 33.8-127.7-138.7 167.7 14.3 32.8 -2.4 90 92 A R E - 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