==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 26-SEP-02 1MVQ . COMPND 2 MOLECULE: LECTIN, ISOFORM 1; . SOURCE 2 ORGANISM_SCIENTIFIC: CRATYLIA MOLLIS; . AUTHOR G.A.DE SOUZA,P.S.OLIVEIRA,S.TRAPANI,M.T.CORREIA,G.OLIVA,L.C. . 236 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 66.5 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 . 99 41.9 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 25 10.6 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 . 4 1.7 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 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 . 0 4 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 . 1 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 0 131 0, 0.0 2,-0.1 0, 0.0 231,-0.0 0.000 360.0 360.0 360.0-171.0 2.3 10.0 32.1 2 2 A D - 0 0 48 229,-0.1 2,-0.6 217,-0.1 212,-0.0 -0.407 360.0-130.0 -74.4 159.4 2.6 13.2 34.2 3 3 A T - 0 0 32 -2,-0.1 212,-0.6 2,-0.0 2,-0.4 -0.981 36.1-175.2-108.0 117.8 1.2 16.5 33.0 4 4 A I E +A 214 0A 3 -2,-0.6 26,-2.9 210,-0.2 2,-0.4 -0.960 25.7 180.0-125.7 132.1 4.0 19.1 33.4 5 5 A V E +AB 213 29A 3 208,-2.2 208,-2.6 -2,-0.4 2,-0.3 -0.990 28.6 168.3-116.5 132.4 4.2 22.8 32.9 6 6 A A E -AB 212 28A 1 22,-2.6 22,-3.2 -2,-0.4 2,-0.5 -0.988 38.8-144.9-145.6 155.9 7.7 24.1 33.7 7 7 A V E -AB 211 27A 4 204,-2.7 204,-2.3 -2,-0.3 2,-0.4 -0.992 32.7-156.9-116.6 118.2 10.0 27.1 33.5 8 8 A E E -AB 210 26A 0 18,-2.1 18,-2.1 -2,-0.5 2,-0.7 -0.782 22.4-157.9-100.6 143.7 13.6 25.8 32.9 9 9 A L E -AB 209 25A 0 200,-3.4 200,-1.7 -2,-0.4 2,-0.7 -0.929 29.7-164.7-108.9 98.7 16.9 27.5 33.6 10 10 A D E +AB 208 24A 2 14,-2.7 14,-2.1 -2,-0.7 198,-0.2 -0.792 20.1 178.1-104.0 115.0 18.8 25.4 31.1 11 11 A T + 0 0 2 196,-1.4 194,-0.3 -2,-0.7 197,-0.2 0.394 65.6 53.2 -97.4 1.6 22.6 25.5 31.5 12 12 A Y S S- 0 0 61 195,-0.7 2,-0.6 10,-0.1 -1,-0.1 -0.956 77.8-130.1-141.6 120.1 23.6 23.2 28.8 13 13 A P - 0 0 40 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.573 22.2-180.0 -73.2 116.9 22.6 23.3 25.1 14 14 A N > > - 0 0 21 -2,-0.6 5,-1.7 1,-0.1 3,-1.6 -0.848 4.2-177.6-109.2 89.5 21.3 19.9 23.8 15 15 A T G > 5S+ 0 0 95 -2,-0.7 3,-1.2 1,-0.3 -1,-0.1 0.706 72.2 69.3 -73.3 -13.5 20.5 20.9 20.2 16 16 A D G 3 5S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.714 103.5 44.7 -73.5 -18.1 19.2 17.4 19.3 17 17 A I G < 5S- 0 0 2 -3,-1.6 -1,-0.3 15,-0.1 -2,-0.2 0.056 131.5 -92.4-108.9 22.1 16.1 18.1 21.5 18 18 A G T < 5S+ 0 0 50 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.616 72.2 150.2 84.8 14.3 15.7 21.6 20.2 19 19 A D < - 0 0 10 -5,-1.7 -1,-0.3 1,-0.1 4,-0.1 -0.536 51.2-114.1 -66.3 145.1 17.7 23.7 22.6 20 20 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -6,-0.1 -0.313 38.1 -98.0 -62.8 166.4 19.1 26.8 21.1 21 21 A S S S+ 0 0 98 -8,-0.1 2,-0.3 -6,-0.1 -2,-0.0 -0.060 102.0 56.9 -85.1 36.4 23.0 26.7 21.0 22 22 A Y S S- 0 0 79 -2,-0.5 -10,-0.1 -10,-0.1 19,-0.1 -0.965 99.7 -79.2-154.1 162.0 23.3 28.9 24.2 23 23 A Q + 0 0 47 -2,-0.3 17,-2.4 -12,-0.2 2,-0.3 -0.353 63.2 167.4 -63.7 149.7 22.2 28.7 27.8 24 24 A H E -BC 10 39A 0 -14,-2.1 -14,-2.7 15,-0.3 2,-0.4 -0.985 41.4-119.1-160.5 158.9 18.6 29.8 28.1 25 25 A I E -BC 9 38A 0 13,-2.3 13,-1.9 -2,-0.3 2,-0.3 -0.876 40.8-176.6-103.9 145.3 15.4 30.1 30.0 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.1 -2,-0.4 2,-0.5 -0.979 29.9-132.3-143.8 155.2 12.4 28.3 28.6 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.7 -2,-0.3 9,-1.0 -0.964 27.4-163.6-110.9 124.1 8.7 27.7 29.0 28 28 A N E -B 6 0A 0 -22,-3.2 -22,-2.6 -2,-0.5 2,-0.6 -0.929 10.5-173.3-113.1 123.9 7.9 24.0 28.7 29 29 A I E S-B 5 0A 12 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.921 76.9 -38.0-120.6 102.7 4.3 22.8 28.2 30 30 A K S S+ 0 0 119 -26,-2.9 2,-0.3 -2,-0.6 -25,-0.1 0.616 128.3 64.3 63.7 15.1 4.0 19.0 28.4 31 31 A S S S- 0 0 13 -27,-0.2 -2,-0.2 205,-0.1 4,-0.2 -0.962 79.4-126.5-161.3 151.0 7.4 18.6 26.6 32 32 A I S S+ 0 0 0 202,-0.3 2,-1.3 -2,-0.3 203,-0.1 0.661 91.5 91.6 -70.6 -17.3 11.1 19.3 27.1 33 33 A R S S- 0 0 105 -4,-0.1 -4,-0.3 1,-0.1 -15,-0.1 -0.694 88.0-130.0 -87.6 96.6 11.1 21.1 23.7 34 34 A S - 0 0 29 -2,-1.3 -6,-0.2 1,-0.1 3,-0.1 -0.087 11.0-145.0 -53.8 140.9 10.3 24.6 25.0 35 35 A K S S+ 0 0 107 -8,-2.7 2,-0.3 1,-0.3 -7,-0.1 0.730 88.7 11.8 -76.4 -24.9 7.5 26.6 23.5 36 36 A A E S+C 27 0A 22 -9,-1.0 -9,-2.3 41,-0.1 2,-0.3 -0.977 70.2 179.8-152.5 138.9 9.5 29.8 24.0 37 37 A T E -C 26 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.958 9.1-164.8-136.6 163.4 13.1 30.5 25.0 38 38 A T E -C 25 0A 46 -13,-1.9 -13,-2.3 -2,-0.3 37,-0.1 -0.990 36.0 -98.8-143.5 141.9 15.4 33.5 25.6 39 39 A R E -C 24 0A 137 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.333 41.9-177.0 -58.3 138.6 19.2 33.6 25.9 40 40 A W - 0 0 5 -17,-2.4 2,-0.8 -30,-0.1 -17,-0.1 -0.981 19.5-144.7-143.3 123.1 20.4 33.6 29.5 41 41 A D - 0 0 83 -2,-0.4 2,-0.2 -19,-0.1 -30,-0.1 -0.810 19.8-140.1 -95.3 112.3 24.1 33.9 30.5 42 42 A V - 0 0 23 -2,-0.8 2,-0.8 1,-0.1 -19,-0.1 -0.455 4.7-147.3 -67.7 133.3 24.7 31.8 33.6 43 43 A Q > - 0 0 73 -2,-0.2 3,-2.1 3,-0.1 155,-0.3 -0.879 20.0-136.8-104.7 100.1 27.0 33.4 36.2 44 44 A N T 3 S+ 0 0 72 -2,-0.8 155,-0.3 1,-0.3 3,-0.1 -0.363 84.8 10.5 -59.5 119.0 28.9 30.6 37.7 45 45 A G T 3 S+ 0 0 36 153,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.404 101.7 111.6 96.0 -1.5 29.1 31.0 41.5 46 46 A K < - 0 0 69 -3,-2.1 152,-0.7 152,-0.4 2,-0.5 -0.776 69.8-113.9-105.2 152.4 26.6 33.9 41.8 47 47 A V E -H 197 0B 60 -2,-0.3 2,-0.2 150,-0.2 150,-0.2 -0.731 37.6-171.8 -85.6 125.5 23.2 33.9 43.5 48 48 A G E -H 196 0B 0 148,-2.3 148,-2.0 -2,-0.5 2,-0.4 -0.663 12.4-142.0-112.1 168.3 20.4 34.5 41.0 49 49 A T E -HI 195 66B 34 17,-2.4 17,-2.7 146,-0.2 2,-0.4 -0.994 8.0-163.6-132.4 138.1 16.6 35.1 41.4 50 50 A A E -HI 194 65B 2 144,-2.8 144,-2.1 -2,-0.4 2,-0.4 -0.970 2.3-169.4-119.6 140.6 13.8 33.9 39.3 51 51 A H E -HI 193 64B 80 13,-2.7 13,-2.5 -2,-0.4 2,-0.4 -0.995 6.5-175.4-129.3 132.3 10.2 35.3 39.4 52 52 A I E +HI 192 63B 3 140,-2.9 140,-2.8 -2,-0.4 2,-0.3 -0.971 5.4 175.2-129.7 138.1 7.3 33.5 37.6 53 53 A S E +HI 191 62B 40 9,-2.4 9,-2.5 -2,-0.4 2,-0.3 -0.996 9.7 173.7-145.7 152.2 3.7 34.7 37.2 54 54 A Y E -H 190 0B 11 136,-2.1 136,-2.4 -2,-0.3 2,-0.3 -0.974 6.0-174.0-153.7 146.7 0.5 33.8 35.6 55 55 A N E >> -H 189 0B 60 5,-0.3 4,-2.4 -2,-0.3 5,-0.6 -0.994 26.1-136.1-140.2 137.1 -3.1 35.1 35.7 56 56 A S T 45S+ 0 0 13 132,-2.6 133,-0.1 -2,-0.3 26,-0.1 0.540 103.1 53.4 -73.5 -12.2 -6.0 33.4 33.9 57 57 A V T 45S+ 0 0 103 131,-0.2 -1,-0.2 3,-0.1 132,-0.1 0.878 116.2 37.1 -82.3 -47.5 -7.4 36.6 32.5 58 58 A A T 45S- 0 0 67 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.827 91.1-156.3 -70.8 -32.8 -4.2 37.7 30.9 59 59 A K T <5 + 0 0 82 -4,-2.4 20,-1.3 1,-0.2 2,-0.4 0.880 48.2 128.8 54.2 42.4 -3.4 34.0 29.9 60 60 A R E < - J 0 78B 133 -5,-0.6 2,-0.6 18,-0.2 -5,-0.3 -0.968 47.1-157.8-130.6 114.9 0.3 34.9 29.8 61 61 A L E - J 0 77B 2 16,-2.8 16,-2.1 -2,-0.4 2,-0.3 -0.815 23.9-179.1 -90.4 123.2 2.9 32.8 31.7 62 62 A S E -IJ 53 76B 34 -9,-2.5 -9,-2.4 -2,-0.6 2,-0.4 -0.935 13.7-175.7-127.8 150.8 6.0 35.0 32.2 63 63 A A E -IJ 52 75B 4 12,-2.6 12,-2.4 -2,-0.3 2,-0.4 -0.999 3.8-171.9-139.6 145.2 9.4 34.4 33.9 64 64 A V E -IJ 51 74B 41 -13,-2.5 -13,-2.7 -2,-0.4 2,-0.4 -0.998 3.6-167.2-133.2 139.3 12.3 36.7 34.6 65 65 A V E +IJ 50 73B 1 8,-2.5 8,-2.4 -2,-0.4 2,-0.3 -0.995 17.1 173.4-124.4 133.8 15.7 35.6 35.9 66 66 A S E -IJ 49 72B 33 -17,-2.7 -17,-2.4 -2,-0.4 6,-0.2 -0.960 23.5-152.8-139.3 155.2 18.2 38.1 37.2 67 67 A Y E >> - J 0 71B 6 4,-2.2 4,-0.7 -2,-0.3 3,-0.6 -0.937 43.6 -89.6-118.8 152.1 21.6 38.5 38.9 68 68 A P T 34 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.279 109.0 50.6 -52.9 135.6 22.7 41.5 41.0 69 69 A G T 34 S- 0 0 89 1,-0.1 -3,-0.0 -3,-0.0 0, 0.0 0.624 126.5 -70.0 105.0 13.3 24.3 44.1 38.9 70 70 A G T <4 S+ 0 0 74 -3,-0.6 2,-0.6 1,-0.2 -1,-0.1 0.319 85.9 131.9 100.3 -1.6 21.7 44.5 36.2 71 71 A S E < +J 67 0B 47 -4,-0.7 -4,-2.2 -3,-0.1 2,-0.3 -0.747 27.8 157.7 -91.3 116.7 21.7 41.3 34.0 72 72 A S E -J 66 0B 75 -2,-0.6 2,-0.4 -6,-0.2 -6,-0.2 -0.988 25.4-162.4-143.6 148.1 18.2 39.9 33.4 73 73 A A E -J 65 0B 10 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.3 -0.995 11.7-168.5-132.4 136.0 16.5 37.6 30.9 74 74 A T E +J 64 0B 81 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.940 7.7 178.4-127.9 150.6 12.7 37.4 30.4 75 75 A V E -J 63 0B 8 -12,-2.4 -12,-2.6 -2,-0.3 2,-0.3 -0.992 3.9-178.2-146.8 144.6 10.5 34.9 28.5 76 76 A S E -J 62 0B 58 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.984 6.0-170.6-141.4 158.5 6.7 34.8 28.2 77 77 A Y E -J 61 0B 76 -16,-2.1 -16,-2.8 -2,-0.3 2,-0.6 -0.979 22.2-130.0-150.9 133.8 4.2 32.5 26.4 78 78 A D E +J 60 0B 90 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.788 46.8 140.5 -89.1 123.6 0.5 32.9 25.9 79 79 A V - 0 0 22 -20,-1.3 2,-0.9 -2,-0.6 3,-0.1 -0.991 53.2-124.1-161.0 142.6 -1.5 29.8 27.0 80 80 A D > - 0 0 50 -2,-0.3 3,-1.6 1,-0.1 -24,-0.1 -0.827 24.5-170.5 -91.1 102.0 -4.7 29.0 28.7 81 81 A L G >> S+ 0 0 4 -2,-0.9 4,-2.8 1,-0.3 3,-1.8 0.716 77.3 73.6 -69.6 -20.6 -3.5 26.7 31.6 82 82 A N G 34 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.2 99,-0.0 0.732 100.4 47.0 -60.5 -24.9 -7.0 25.7 32.5 83 83 A N G <4 S+ 0 0 133 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.286 118.9 39.6-102.1 11.2 -6.9 23.5 29.4 84 84 A I T <4 S+ 0 0 46 -3,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.685 109.1 54.3-116.2 -50.8 -3.5 22.1 30.2 85 85 A L S < S- 0 0 7 -4,-2.8 -1,-0.2 1,-0.1 4,-0.1 -0.517 79.3-116.7 -94.5 150.0 -3.4 21.4 33.9 86 86 A P - 0 0 48 0, 0.0 94,-0.2 0, 0.0 -1,-0.1 -0.321 37.2-101.2 -73.2 170.1 -5.8 19.4 36.1 87 87 A E S S+ 0 0 67 1,-0.1 93,-1.8 93,-0.1 94,-1.2 0.806 109.4 43.1 -63.5 -36.7 -7.7 21.2 38.8 88 88 A W E S+D 179 0A 114 91,-0.2 128,-0.6 92,-0.1 2,-0.3 -0.966 74.2 162.0-115.7 133.4 -5.4 20.0 41.6 89 89 A V E -DE 178 215A 0 89,-2.3 89,-3.3 -2,-0.5 2,-0.4 -0.850 32.3-129.7-137.7 167.4 -1.6 20.1 41.2 90 90 A R E - 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