==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 14-SEP-09 3JU9 . COMPND 2 MOLECULE: CONCANAVALIN-BR; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA BRASILIENSIS; . AUTHOR E.H.S.BEZERRA,B.A.M.ROCHA,C.S.NAGANO,G.A.BEZERRA,T.R.MOURA, . 238 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 65.5 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 . 97 40.8 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 . 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 . 25 10.5 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 . 3 1.3 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 . 1 3 0 1 2 2 4 0 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 1 1 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 0 135 0, 0.0 218,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.2 29.3 20.7 1.5 2 2 A D - 0 0 42 218,-0.1 2,-0.5 230,-0.1 213,-0.0 -0.238 360.0-126.6 -63.2 156.3 26.2 18.4 1.9 3 3 A T - 0 0 39 2,-0.0 213,-0.6 26,-0.0 2,-0.4 -0.966 30.9-168.4-107.9 125.9 22.8 19.5 0.8 4 4 A I E +A 215 0A 2 -2,-0.5 26,-2.7 211,-0.2 2,-0.4 -0.943 23.7 175.1-123.1 129.2 20.1 19.4 3.6 5 5 A V E +AB 214 29A 2 209,-1.9 209,-2.2 -2,-0.4 2,-0.3 -0.999 31.0 169.3-116.6 128.0 16.3 19.6 3.6 6 6 A A E -AB 213 28A 2 22,-2.7 22,-3.2 -2,-0.4 2,-0.5 -0.967 42.0-146.3-141.8 151.3 15.0 18.9 7.1 7 7 A V E -AB 212 27A 2 205,-2.7 205,-2.0 -2,-0.3 2,-0.4 -0.985 34.7-159.6-106.2 119.4 12.1 19.0 9.5 8 8 A E E -AB 211 26A 0 18,-2.4 18,-2.3 -2,-0.5 2,-0.8 -0.823 22.1-158.3-104.2 135.6 13.5 19.8 13.0 9 9 A L E -AB 210 25A 0 201,-3.4 201,-1.8 -2,-0.4 2,-0.8 -0.931 27.0-167.1-102.5 98.3 11.9 19.1 16.4 10 10 A D E +AB 209 24A 2 14,-2.7 14,-2.4 -2,-0.8 199,-0.2 -0.821 19.6 177.0-101.9 107.2 13.9 21.7 18.3 11 11 A T + 0 0 4 197,-0.8 198,-0.2 -2,-0.8 -1,-0.1 0.665 65.8 56.8 -80.7 -16.3 13.6 21.3 22.1 12 12 A Y S S- 0 0 59 196,-0.9 2,-0.5 10,-0.1 -1,-0.1 -0.953 76.3-133.2-129.1 118.0 16.1 24.1 23.0 13 13 A P - 0 0 38 0, 0.0 2,-0.7 0, 0.0 8,-0.1 -0.563 17.1-176.5 -75.2 120.5 15.9 27.8 22.0 14 14 A N > > - 0 0 21 -2,-0.5 5,-1.6 6,-0.2 3,-1.5 -0.862 10.2-176.0-107.9 89.6 19.3 29.2 20.7 15 15 A T T 3 5S+ 0 0 92 -2,-0.7 3,-0.4 1,-0.3 -1,-0.1 0.513 71.7 60.5 -76.8 -3.6 18.0 32.7 20.2 16 16 A D T 3 5S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.457 102.4 51.0-105.1 -3.1 21.2 34.2 18.7 17 17 A I T < 5S- 0 0 5 -3,-1.5 -1,-0.2 15,-0.1 -2,-0.2 -0.059 132.2 -86.3-111.1 28.0 21.2 31.8 15.7 18 18 A G T 5S+ 0 0 52 -3,-0.4 -3,-0.2 1,-0.3 -2,-0.1 0.270 79.5 143.7 93.6 -11.4 17.6 32.7 14.9 19 19 A D < - 0 0 13 -5,-1.6 -1,-0.3 1,-0.1 2,-0.1 -0.252 54.4-115.2 -55.0 146.2 15.6 30.3 17.1 20 20 A P - 0 0 24 0, 0.0 -6,-0.2 0, 0.0 4,-0.1 -0.326 36.3 -99.6 -68.6 175.0 12.4 31.6 18.5 21 21 A S S S+ 0 0 96 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.051 100.4 54.8 -92.1 30.4 12.5 31.9 22.3 22 22 A Y S S- 0 0 77 -10,-0.1 -10,-0.1 -12,-0.0 19,-0.1 -0.962 101.3 -77.2-148.2 158.6 10.5 28.6 22.8 23 23 A P + 0 0 45 0, 0.0 17,-2.3 0, 0.0 2,-0.3 -0.383 64.9 172.3 -54.3 144.7 10.8 25.0 21.8 24 24 A H E -BC 10 39A 0 -14,-2.4 -14,-2.7 15,-0.3 2,-0.4 -0.975 38.0-125.3-157.2 153.1 9.6 24.8 18.2 25 25 A I E -BC 9 38A 0 13,-2.7 13,-2.0 -2,-0.3 2,-0.3 -0.909 39.9-179.5-104.4 144.1 9.2 22.7 15.2 26 26 A G E -BC 8 37A 0 -18,-2.3 -18,-2.4 -2,-0.4 2,-0.5 -0.980 33.1-126.6-146.9 157.3 10.7 24.0 11.9 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.5 -2,-0.3 9,-0.8 -0.925 28.1-160.0-105.0 122.3 11.4 23.5 8.2 28 28 A D E -B 6 0A 0 -22,-3.2 -22,-2.7 -2,-0.5 2,-0.7 -0.912 10.6-174.9-109.3 114.8 15.1 23.8 7.3 29 29 A I E S-B 5 0A 17 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.889 78.2 -42.0-110.9 99.2 16.1 24.5 3.7 30 30 A K S S+ 0 0 129 -26,-2.7 2,-0.3 -2,-0.7 -25,-0.1 0.684 127.8 71.2 55.3 27.7 19.9 24.3 3.5 31 31 A S S S- 0 0 10 -27,-0.2 4,-0.2 -25,-0.1 -25,-0.1 -0.953 76.9-132.3-164.9 147.9 20.3 26.2 6.8 32 32 A V S S+ 0 0 2 205,-0.6 2,-1.4 203,-0.3 204,-0.1 0.679 92.2 91.3 -75.5 -16.8 19.7 25.6 10.5 33 33 A R S S- 0 0 95 204,-0.5 -4,-0.3 -4,-0.1 -1,-0.1 -0.639 89.9-128.3 -81.5 91.3 18.0 29.0 10.5 34 34 A S - 0 0 28 -2,-1.4 -6,-0.2 1,-0.1 3,-0.1 -0.018 9.4-145.1 -48.8 140.3 14.4 27.6 9.8 35 35 A K S S+ 0 0 96 -8,-2.5 2,-0.3 1,-0.3 -1,-0.1 0.683 89.5 7.1 -74.1 -20.0 12.4 29.1 6.9 36 36 A K E S-C 27 0A 93 -9,-0.8 -9,-2.3 41,-0.1 -1,-0.3 -0.939 71.9-176.6-164.2 138.5 9.4 28.7 9.0 37 37 A T E -C 26 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.877 9.6-161.7-136.1 165.2 8.6 27.6 12.7 38 38 A A E -C 25 0A 22 -13,-2.0 -13,-2.7 -2,-0.3 2,-0.2 -0.976 35.9 -98.1-145.4 148.6 5.8 26.9 15.1 39 39 A K E -C 24 0A 144 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.452 40.7-164.6 -69.4 132.2 5.7 26.7 18.9 40 40 A W - 0 0 7 -17,-2.3 2,-1.1 -2,-0.2 33,-0.0 -0.976 18.5-149.8-128.7 121.1 5.9 23.2 20.2 41 41 A N - 0 0 92 -2,-0.5 2,-0.3 -19,-0.1 -30,-0.1 -0.785 20.9-155.7 -85.3 95.4 5.1 21.9 23.7 42 42 A M - 0 0 22 -2,-1.1 2,-0.9 -31,-0.1 25,-0.0 -0.605 9.3-141.2 -69.3 129.6 7.4 18.9 24.0 43 43 A Q > - 0 0 26 -2,-0.3 3,-2.2 3,-0.1 156,-0.3 -0.837 18.8-126.5-102.8 104.7 5.9 16.5 26.6 44 44 A N T 3 S+ 0 0 73 -2,-0.9 156,-0.2 1,-0.3 3,-0.1 -0.137 87.2 2.2 -52.1 131.0 8.7 15.1 28.7 45 45 A G T 3 S+ 0 0 24 154,-2.1 -1,-0.3 1,-0.2 2,-0.2 0.411 103.6 116.7 73.7 -1.6 8.7 11.3 28.8 46 46 A K S < S- 0 0 116 -3,-2.2 2,-0.8 153,-0.4 153,-0.7 -0.636 70.6-109.9 -97.6 156.7 5.8 10.9 26.4 47 47 A V E -G 198 0B 55 -2,-0.2 151,-0.2 151,-0.2 2,-0.2 -0.776 38.7-167.9 -86.7 111.5 5.7 9.2 23.0 48 48 A G E -G 197 0B 0 149,-2.1 149,-2.1 -2,-0.8 2,-0.4 -0.538 10.7-144.8 -92.2 160.5 5.2 11.8 20.2 49 49 A T E -GH 196 66B 35 17,-2.4 17,-2.5 147,-0.2 2,-0.4 -0.997 8.3-163.8-124.0 133.7 4.4 11.3 16.5 50 50 A A E -GH 195 65B 2 145,-2.8 145,-2.0 -2,-0.4 2,-0.4 -0.971 2.8-168.5-113.2 135.1 5.8 13.4 13.7 51 51 A H E -GH 194 64B 63 13,-2.7 13,-2.0 -2,-0.4 2,-0.4 -0.990 2.9-170.8-123.1 129.9 4.2 13.3 10.2 52 52 A I E -GH 193 63B 1 141,-3.0 141,-2.3 -2,-0.4 2,-0.4 -0.965 6.5-178.8-126.1 133.2 5.9 15.0 7.2 53 53 A I E +GH 192 62B 85 9,-2.5 9,-2.8 -2,-0.4 2,-0.3 -0.994 7.5 163.8-139.3 133.4 4.2 15.4 3.8 54 54 A Y E -G 191 0B 8 137,-2.3 137,-2.9 -2,-0.4 2,-0.3 -0.963 7.0-179.9-144.8 140.2 5.3 16.9 0.5 55 55 A N E >> -G 190 0B 58 5,-0.4 4,-1.7 -2,-0.3 5,-0.6 -0.997 32.0-132.1-134.6 152.2 4.1 16.7 -3.2 56 56 A S T 45S+ 0 0 14 133,-1.9 134,-0.1 -2,-0.3 26,-0.1 0.468 103.4 57.1 -73.3 -3.4 5.5 18.4 -6.3 57 57 A V T 45S+ 0 0 98 132,-0.1 -1,-0.2 3,-0.1 133,-0.0 0.910 117.0 27.6 -91.9 -59.0 2.0 19.6 -7.3 58 58 A G T 45S- 0 0 52 2,-0.1 -2,-0.2 20,-0.0 3,-0.1 0.706 94.1-150.5 -71.7 -23.1 1.0 21.7 -4.3 59 59 A K T <5 + 0 0 69 -4,-1.7 20,-1.8 1,-0.2 2,-0.4 0.892 48.2 132.3 51.4 51.1 4.8 22.3 -3.7 60 60 A R E < - I 0 78B 110 -5,-0.6 2,-0.6 18,-0.3 -5,-0.4 -0.961 48.6-150.9-138.3 112.1 4.3 22.6 0.1 61 61 A L E - I 0 77B 3 16,-2.7 16,-2.6 -2,-0.4 2,-0.3 -0.771 27.2-176.8 -83.3 119.6 6.4 20.9 2.7 62 62 A S E -HI 53 76B 27 -9,-2.8 -9,-2.5 -2,-0.6 2,-0.3 -0.910 12.6-177.7-125.5 154.5 4.2 20.3 5.8 63 63 A A E -HI 52 75B 3 12,-1.8 12,-2.2 -2,-0.3 2,-0.4 -0.897 4.5-174.7-160.6 116.3 4.9 18.8 9.2 64 64 A V E -HI 51 74B 43 -13,-2.0 -13,-2.7 -2,-0.3 2,-0.4 -0.918 5.9-164.4-116.0 139.3 2.7 18.1 12.3 65 65 A V E +HI 50 73B 2 8,-2.4 8,-2.2 -2,-0.4 2,-0.3 -0.996 19.2 171.5-123.9 125.4 3.9 16.8 15.7 66 66 A S E -HI 49 72B 34 -17,-2.5 -17,-2.4 -2,-0.4 6,-0.2 -0.861 23.2-151.3-131.8 163.0 1.4 15.4 18.1 67 67 A Y > - 0 0 9 4,-1.4 3,-2.2 -2,-0.3 -19,-0.1 -0.899 40.5 -99.5-128.2 160.2 1.1 13.5 21.4 68 68 A P T 3 S+ 0 0 119 0, 0.0 -20,-0.1 0, 0.0 -1,-0.0 0.750 118.4 64.3 -51.9 -34.4 -1.8 11.1 22.6 69 69 A N T 3 S- 0 0 119 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.607 119.0-111.2 -67.0 -12.0 -3.6 13.9 24.7 70 70 A G S < S+ 0 0 53 -3,-2.2 2,-0.2 1,-0.3 -1,-0.1 0.253 70.8 138.4 107.7 -10.2 -4.1 15.6 21.4 71 71 A D + 0 0 82 -5,-0.1 -4,-1.4 -30,-0.0 -1,-0.3 -0.488 28.5 169.5 -70.1 132.7 -1.9 18.6 21.6 72 72 A S E -I 66 0B 65 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.984 27.8-150.0-144.7 155.8 -0.1 19.2 18.3 73 73 A A E -I 65 0B 7 -8,-2.2 -8,-2.4 -2,-0.3 2,-0.3 -0.956 17.0-164.3-123.0 142.0 2.0 21.8 16.5 74 74 A T E -I 64 0B 87 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.979 9.1-177.2-130.4 145.2 2.0 22.3 12.7 75 75 A V E -I 63 0B 6 -12,-2.2 -12,-1.8 -2,-0.3 2,-0.3 -0.992 3.8-173.9-139.6 133.7 4.4 24.0 10.3 76 76 A S E -I 62 0B 18 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.962 0.8-175.3-126.4 143.3 4.0 24.4 6.5 77 77 A Y E -I 61 0B 72 -16,-2.6 -16,-2.7 -2,-0.3 2,-0.5 -0.950 23.4-132.6-143.8 123.8 6.4 25.9 3.9 78 78 A D E +I 60 0B 101 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.3 -0.591 47.5 143.1 -73.8 120.7 6.0 26.6 0.2 79 79 A V - 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