==== 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 METAL BINDING PROTEIN 05-JUL-05 2CY6 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA MARITIMA; . AUTHOR B.S.CAVADA,W.F.AZEVEDO JR.,P.DELATORRE,B.A.M.ROCHA,E.P.SOUZA . 474 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 67.5 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 . 203 42.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 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 . 2 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 . 51 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 6 0 2 7 2 5 3 2 0 1 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 1 0 0 0 0 0 0 0 1 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, 0.0 232,-0.0 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 157.7 5.1 3.2 38.5 2 2 A D - 0 0 43 218,-0.1 2,-0.5 230,-0.1 213,-0.0 -0.213 360.0-115.7 -59.8 162.4 8.0 2.9 36.1 3 3 A T - 0 0 34 230,-0.0 213,-0.8 2,-0.0 2,-0.5 -0.944 38.1-168.5-104.3 127.1 11.4 1.6 37.2 4 4 A I E +A 215 0A 1 -2,-0.5 26,-3.5 211,-0.2 2,-0.4 -0.935 24.8 174.3-123.9 130.6 14.0 4.3 37.0 5 5 A V E +AB 214 29A 3 209,-2.3 209,-2.7 -2,-0.5 2,-0.3 -0.998 29.9 166.0-119.9 133.8 17.8 4.3 37.2 6 6 A A E -AB 213 28A 1 22,-2.7 22,-3.3 -2,-0.4 2,-0.5 -0.980 41.8-141.2-149.5 152.7 19.2 7.7 36.4 7 7 A V E -AB 212 27A 2 205,-2.9 205,-2.1 -2,-0.3 2,-0.4 -0.993 35.0-156.7-110.3 114.4 22.2 9.9 36.5 8 8 A E E -AB 211 26A 0 18,-3.0 18,-2.5 -2,-0.5 2,-0.7 -0.769 22.1-160.6-100.4 140.4 20.9 13.3 37.4 9 9 A L E -AB 210 25A 0 201,-3.3 201,-1.6 -2,-0.4 2,-0.8 -0.935 26.8-166.1-107.4 97.4 22.6 16.6 36.7 10 10 A D E +AB 209 24A 0 14,-3.0 14,-2.4 -2,-0.7 199,-0.3 -0.806 20.6 175.2-105.0 110.7 20.6 18.5 39.3 11 11 A T + 0 0 0 197,-1.6 198,-0.2 -2,-0.8 -1,-0.2 0.665 66.9 60.8 -90.9 -13.6 21.0 22.2 38.9 12 12 A Y S S- 0 0 60 196,-1.1 2,-0.7 12,-0.1 -1,-0.2 -0.933 76.2-139.8-121.9 111.6 18.5 23.1 41.6 13 13 A P - 0 0 21 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.573 16.1-174.5 -72.0 107.9 19.0 22.1 45.2 14 14 A N > > + 0 0 17 -2,-0.7 3,-2.3 1,-0.2 5,-1.7 -0.792 7.5 177.2 -98.0 81.2 15.6 21.1 46.6 15 15 A T G > 5S+ 0 0 89 -2,-1.0 3,-1.3 1,-0.3 -1,-0.2 0.764 71.7 69.0 -65.0 -23.5 17.0 20.6 50.1 16 16 A D G 3 5S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.576 104.2 41.7 -71.2 -13.5 13.5 19.8 51.3 17 17 A I G < 5S- 0 0 5 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.011 131.9 -83.0-119.4 27.3 13.6 16.5 49.3 18 18 A G T < 5S+ 0 0 53 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.352 79.9 141.9 96.1 -3.3 17.1 15.4 50.2 19 19 A D < - 0 0 10 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.376 57.9-109.7 -61.2 148.3 19.1 17.3 47.6 20 20 A P - 0 0 22 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.233 38.9 -97.1 -68.5 173.4 22.4 18.6 49.0 21 21 A S S S+ 0 0 94 -8,-0.1 -2,-0.1 -6,-0.1 -6,-0.0 0.103 103.7 51.1 -91.0 23.9 22.4 22.3 49.4 22 22 A Y S S- 0 0 75 -10,-0.1 2,-0.1 -8,-0.0 -8,-0.1 -0.904 101.5 -77.1-146.0 162.2 24.2 22.9 46.1 23 23 A P + 0 0 32 0, 0.0 17,-2.9 0, 0.0 2,-0.3 -0.474 64.7 167.1 -59.8 144.2 23.8 21.8 42.5 24 24 A H E -BC 10 39A 0 -14,-2.4 -14,-3.0 15,-0.3 2,-0.4 -0.972 39.8-118.6-157.0 160.4 25.0 18.3 42.2 25 25 A I E -BC 9 38A 0 13,-2.4 13,-2.3 -2,-0.3 2,-0.3 -0.869 40.9-179.8-104.5 148.8 25.2 15.2 40.1 26 26 A G E -BC 8 37A 0 -18,-2.5 -18,-3.0 -2,-0.4 2,-0.5 -0.990 32.3-123.7-148.7 158.3 23.6 12.2 41.5 27 27 A I E -BC 7 36A 0 9,-2.5 8,-2.2 -2,-0.3 9,-1.0 -0.929 28.5-163.1-104.7 125.2 22.8 8.6 41.0 28 28 A D E +B 6 0A 0 -22,-3.3 -22,-2.7 -2,-0.5 2,-0.6 -0.936 12.2 179.2-116.4 115.9 19.0 7.8 41.3 29 29 A I E S-B 5 0A 16 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.942 80.2 -34.1-118.6 101.1 17.8 4.2 41.8 30 30 A K S S+ 0 0 130 -26,-3.5 2,-0.3 -2,-0.6 -25,-0.1 0.527 128.5 67.1 69.1 13.1 14.1 4.2 42.0 31 31 A S S S- 0 0 9 -27,-0.2 -2,-0.2 206,-0.1 4,-0.2 -0.965 75.5-132.3-160.7 145.0 14.0 7.6 43.7 32 32 A V S S+ 0 0 1 203,-0.4 2,-1.4 -2,-0.3 204,-0.1 0.694 93.2 90.1 -65.6 -20.6 14.7 11.2 43.0 33 33 A R S S- 0 0 99 -4,-0.1 -4,-0.3 -3,-0.1 -1,-0.1 -0.695 89.6-130.4 -84.0 100.8 16.5 11.1 46.3 34 34 A S - 0 0 24 -2,-1.4 -6,-0.2 1,-0.2 3,-0.1 -0.124 8.4-144.0 -57.5 137.9 19.8 10.2 45.0 35 35 A K S S+ 0 0 98 -8,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.736 91.4 13.7 -67.7 -26.6 21.6 7.3 46.6 36 36 A K E S+C 27 0A 105 -9,-1.0 -9,-2.5 41,-0.1 2,-0.3 -0.982 72.0 178.2-152.7 140.6 24.7 9.2 46.0 37 37 A T E -C 26 0A 42 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.3 -0.898 10.8-160.1-137.6 165.9 25.6 12.8 45.0 38 38 A A E -C 25 0A 21 -13,-2.3 -13,-2.4 -2,-0.3 2,-0.1 -0.984 37.0 -96.2-145.0 151.4 28.5 15.0 44.4 39 39 A K E -C 24 0A 150 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.3 -0.374 44.1-169.7 -67.2 129.3 28.8 18.7 44.3 40 40 A W - 0 0 4 -17,-2.9 2,-1.0 -30,-0.2 33,-0.1 -0.990 19.3-149.3-130.0 126.9 28.5 20.0 40.8 41 41 A N - 0 0 91 -2,-0.4 2,-0.3 -19,-0.1 -30,-0.1 -0.803 19.4-151.7 -93.8 96.7 29.2 23.5 39.5 42 42 A M - 0 0 20 -2,-1.0 2,-0.8 -32,-0.1 25,-0.0 -0.562 10.5-139.8 -68.8 129.9 26.9 23.9 36.6 43 43 A Q > - 0 0 23 -2,-0.3 3,-2.6 3,-0.1 156,-0.3 -0.835 20.5-125.7-101.4 105.5 28.6 26.3 34.2 44 44 A N T 3 S- 0 0 73 -2,-0.8 156,-0.2 1,-0.3 3,-0.1 -0.246 86.5 -2.4 -60.8 124.7 25.9 28.5 32.9 45 45 A G T 3 S+ 0 0 18 154,-3.1 -1,-0.3 1,-0.3 2,-0.3 0.566 104.5 120.0 74.8 8.2 25.8 28.6 29.1 46 46 A K S < S- 0 0 108 -3,-2.6 153,-0.7 153,-0.5 2,-0.7 -0.745 70.5-110.7-103.6 153.0 28.8 26.3 28.7 47 47 A V E -H 198 0B 49 -2,-0.3 151,-0.2 151,-0.2 2,-0.2 -0.778 39.9-169.0 -86.2 116.7 28.8 23.0 27.0 48 48 A G E -H 197 0B 0 149,-2.4 149,-2.0 -2,-0.7 2,-0.4 -0.523 11.1-143.1 -97.4 165.0 29.2 20.1 29.5 49 49 A T E -HI 196 66B 34 17,-2.6 17,-2.9 147,-0.2 2,-0.5 -0.998 8.6-164.3-133.6 135.2 29.8 16.5 29.0 50 50 A A E -HI 195 65B 1 145,-3.1 145,-2.5 -2,-0.4 2,-0.4 -0.961 3.0-171.6-119.5 126.2 28.4 13.7 31.0 51 51 A H E -HI 194 64B 66 13,-2.8 13,-2.1 -2,-0.5 2,-0.4 -0.982 2.9-170.9-117.1 136.8 29.8 10.1 30.9 52 52 A I E -HI 193 63B 1 141,-3.3 141,-2.6 -2,-0.4 2,-0.4 -0.983 7.2-177.6-130.0 132.4 28.0 7.3 32.6 53 53 A I E +HI 192 62B 88 9,-2.7 9,-3.1 -2,-0.4 2,-0.3 -0.999 8.7 160.2-138.6 133.2 29.6 3.9 33.0 54 54 A Y E +H 191 0B 8 137,-2.4 137,-2.7 -2,-0.4 2,-0.3 -0.975 8.3 179.1-147.1 144.7 28.4 0.6 34.5 55 55 A N E >> -H 190 0B 58 5,-0.4 4,-2.0 -2,-0.3 5,-0.7 -0.993 34.2-126.8-142.1 155.2 29.3 -3.0 34.2 56 56 A S T 45S+ 0 0 12 133,-2.9 134,-0.1 -2,-0.3 26,-0.1 0.397 104.4 56.8 -74.7 -3.0 27.8 -6.0 35.8 57 57 A V T 45S+ 0 0 97 132,-0.2 -1,-0.2 3,-0.1 133,-0.0 0.896 116.8 29.5 -95.5 -56.1 31.2 -7.2 37.2 58 58 A G T 45S- 0 0 50 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.751 93.5-151.7 -68.8 -27.6 32.3 -4.2 39.2 59 59 A K T <5 + 0 0 69 -4,-2.0 20,-1.5 1,-0.2 2,-0.4 0.937 47.5 133.1 52.9 50.0 28.6 -3.4 39.8 60 60 A R E < - J 0 78B 120 -5,-0.7 2,-0.6 18,-0.2 -5,-0.4 -0.945 49.4-149.8-135.5 115.7 29.4 0.3 40.1 61 61 A L E - J 0 77B 2 16,-2.7 16,-2.7 -2,-0.4 2,-0.3 -0.767 27.9-178.4 -81.9 120.7 27.4 3.0 38.4 62 62 A S E +IJ 53 76B 25 -9,-3.1 -9,-2.7 -2,-0.6 2,-0.3 -0.902 11.8 177.1-122.4 148.3 29.7 5.8 37.7 63 63 A A E -IJ 52 75B 2 12,-2.1 12,-2.4 -2,-0.3 2,-0.4 -0.984 7.6-172.9-146.4 148.3 29.3 9.3 36.2 64 64 A V E -IJ 51 74B 37 -13,-2.1 -13,-2.8 -2,-0.3 2,-0.4 -0.992 5.5-164.8-136.0 145.1 31.4 12.3 35.6 65 65 A V E +IJ 50 73B 0 8,-2.8 8,-2.4 -2,-0.4 2,-0.3 -0.982 19.0 172.0-130.1 129.1 30.3 15.6 34.3 66 66 A S E -IJ 49 72B 33 -17,-2.9 -17,-2.6 -2,-0.4 6,-0.2 -0.957 21.5-148.3-139.3 164.5 32.8 18.0 33.0 67 67 A Y > - 0 0 8 4,-2.2 3,-2.0 -2,-0.3 -19,-0.2 -0.802 39.7 -98.0-127.3 164.6 33.2 21.3 31.3 68 68 A P T 3 S+ 0 0 110 0, 0.0 -20,-0.1 0, 0.0 -1,-0.0 0.772 117.5 64.8 -57.8 -26.5 35.8 22.6 28.9 69 69 A N T 3 S- 0 0 113 1,-0.1 3,-0.1 2,-0.1 -3,-0.0 0.580 120.0-105.8 -73.3 -10.9 37.7 24.5 31.7 70 70 A G S < S+ 0 0 56 -3,-2.0 -1,-0.1 1,-0.4 2,-0.1 0.167 72.0 142.9 109.2 -11.6 38.4 21.2 33.3 71 71 A D + 0 0 64 -5,-0.1 -4,-2.2 -30,-0.0 -1,-0.4 -0.421 25.3 175.2 -67.0 143.3 36.0 21.3 36.1 72 72 A S E -J 66 0B 58 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.992 23.3-163.7-151.3 135.4 34.6 17.9 36.8 73 73 A A E -J 65 0B 8 -8,-2.4 -8,-2.8 -2,-0.3 2,-0.4 -0.992 13.9-169.4-124.2 145.8 32.3 16.2 39.3 74 74 A T E -J 64 0B 75 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.961 7.8-177.3-129.8 147.8 32.1 12.5 39.7 75 75 A V E -J 63 0B 5 -12,-2.4 -12,-2.1 -2,-0.4 2,-0.4 -0.997 3.1-176.8-143.5 136.7 29.7 10.2 41.5 76 76 A S E -J 62 0B 26 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.3 -0.991 1.9-173.4-132.3 144.5 29.8 6.4 41.8 77 77 A Y E -J 61 0B 75 -16,-2.7 -16,-2.7 -2,-0.4 2,-0.6 -0.982 23.2-129.8-141.6 130.8 27.4 4.1 43.5 78 78 A D E +J 60 0B 88 -2,-0.4 2,-0.3 -18,-0.3 -18,-0.2 -0.645 47.8 142.8 -81.8 117.1 27.7 0.4 44.1 79 79 A V - 0 0 24 -20,-1.5 2,-1.0 -2,-0.6 -2,-0.1 -0.988 52.6-128.9-157.7 146.2 24.7 -1.3 42.9 80 80 A D > - 0 0 41 -2,-0.3 3,-2.5 1,-0.2 4,-0.2 -0.777 21.8-169.1 -99.9 94.1 23.7 -4.5 41.2 81 81 A L G >> S+ 0 0 3 -2,-1.0 4,-2.9 1,-0.3 3,-1.5 0.673 79.4 73.2 -62.7 -20.0 21.5 -3.2 38.5 82 82 A D G 34 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.2 100,-0.1 0.725 97.2 51.9 -55.4 -34.5 20.3 -6.8 37.7 83 83 A N G <4 S+ 0 0 131 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.365 119.5 32.6 -83.4 1.5 18.4 -6.5 40.9 84 84 A V T <4 S+ 0 0 25 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.711 104.5 65.1-124.3 -46.7 16.7 -3.2 39.9 85 85 A L S < S- 0 0 8 -4,-2.9 -1,-0.1 1,-0.1 2,-0.1 -0.482 78.1-115.2 -83.5 149.4 16.2 -3.0 36.2 86 86 A P - 0 0 45 0, 0.0 95,-0.2 0, 0.0 -1,-0.1 -0.378 37.2-106.7 -68.2 158.9 13.9 -5.1 34.0 87 87 A E S S+ 0 0 63 94,-0.1 94,-2.1 93,-0.1 95,-1.1 0.899 109.1 43.0 -58.7 -42.0 15.8 -7.2 31.5 88 88 A W E S+D 180 0A 15 92,-0.2 129,-0.5 93,-0.1 2,-0.3 -0.884 76.0 161.6-109.5 140.3 14.6 -5.0 28.7 89 89 A V E -DE 179 216A 0 90,-2.5 90,-3.1 -2,-0.4 2,-0.4 -0.823 34.6-126.6-138.7 172.2 14.7 -1.3 29.1 90 90 A R E - 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