==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 08-MAR-07 2P37 . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA MARITIMA; . AUTHOR F.B.M.B.MORENO,G.A.BEZERRA,T.M.OLIVEIRA,E.P.SOUZA, . 933 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 68.5 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 . 403 43.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 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 . 5 0.5 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 . 105 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 6.5 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 0.9 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 . 5 11 0 4 12 4 15 4 3 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 2 2 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 1 A A 0 0 125 0, 0.0 230,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 165.6 -9.4 -9.5 -17.8 2 2 A D - 0 0 43 216,-0.2 2,-0.5 228,-0.1 211,-0.0 -0.322 360.0-119.2 -62.6 157.1 -6.4 -10.8 -15.7 3 3 A T - 0 0 39 228,-0.0 211,-0.7 -2,-0.0 2,-0.4 -0.892 36.6-164.4 -97.7 137.9 -3.1 -9.0 -16.1 4 4 A I E +A 213 0A 1 -2,-0.5 26,-3.2 209,-0.2 2,-0.5 -0.989 27.4 175.9-135.2 126.3 -0.4 -11.3 -17.5 5 5 A V E +AB 212 29A 4 207,-2.0 207,-2.2 -2,-0.4 2,-0.3 -0.997 30.6 169.4-108.6 119.6 3.3 -11.2 -17.6 6 6 A A E -AB 211 28A 1 22,-2.8 22,-3.0 -2,-0.5 2,-0.5 -0.966 39.9-146.5-131.9 155.6 4.5 -14.5 -19.2 7 7 A V E -AB 210 27A 2 203,-2.7 203,-2.0 -2,-0.3 2,-0.4 -0.992 35.4-157.4-107.3 116.0 7.5 -16.1 -20.5 8 8 A E E -AB 209 26A 0 18,-2.4 18,-2.2 -2,-0.5 2,-0.7 -0.807 23.2-160.4-102.2 138.5 6.2 -18.4 -23.3 9 9 A L E -AB 208 25A 0 199,-3.6 199,-1.9 -2,-0.4 2,-0.7 -0.919 27.7-167.9-107.7 97.4 7.7 -21.5 -24.8 10 10 A D E +AB 207 24A 0 14,-3.1 14,-2.6 -2,-0.7 197,-0.3 -0.785 21.1 175.0-106.6 114.2 5.7 -21.4 -27.9 11 11 A T + 0 0 3 195,-1.1 196,-0.2 -2,-0.7 -1,-0.2 0.684 65.3 60.0 -91.3 -19.6 5.9 -24.5 -29.9 12 12 A Y S S- 0 0 78 194,-1.0 2,-0.6 12,-0.1 -1,-0.2 -0.935 78.2-133.6-121.7 115.5 3.3 -23.7 -32.6 13 13 A P - 0 0 35 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.535 15.7-171.4 -75.8 115.2 3.7 -20.7 -34.8 14 14 A N > > + 0 0 22 -2,-0.6 3,-2.3 1,-0.2 5,-1.8 -0.692 11.7 173.1-100.9 74.9 0.4 -18.8 -35.0 15 15 A T G > 5S+ 0 0 78 -2,-1.0 3,-0.9 1,-0.3 -1,-0.2 0.667 71.4 65.7 -64.3 -16.3 1.5 -16.4 -37.8 16 16 A D G 3 5S+ 0 0 147 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.559 105.8 43.4 -82.4 -10.9 -2.0 -15.0 -38.1 17 17 A I G < 5S- 0 0 7 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 -0.112 131.5 -86.5-119.4 34.0 -1.7 -13.5 -34.6 18 18 A G T < 5S+ 0 0 53 -3,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.483 78.7 143.1 82.8 3.4 1.9 -12.2 -34.9 19 19 A D < - 0 0 11 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.508 55.9-110.9 -62.6 145.7 3.9 -15.3 -34.0 20 20 A P - 0 0 25 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.223 34.2-101.5 -66.3 175.0 7.1 -15.7 -35.9 21 21 A S S S+ 0 0 97 -8,-0.1 -2,-0.0 -7,-0.1 3,-0.0 0.081 101.2 58.5 -92.5 23.5 7.1 -18.6 -38.4 22 22 A Y S S- 0 0 78 -10,-0.1 -10,-0.1 -12,-0.0 19,-0.1 -0.955 99.0 -86.1-140.6 160.9 9.2 -20.7 -36.1 23 23 A P + 0 0 42 0, 0.0 17,-2.7 0, 0.0 2,-0.3 -0.412 61.3 172.6 -65.1 155.7 8.8 -22.1 -32.5 24 24 A H E -BC 10 39A 0 -14,-2.6 -14,-3.1 15,-0.3 2,-0.4 -0.991 41.1-117.8-158.5 150.8 10.1 -19.5 -30.1 25 25 A I E -BC 9 38A 0 13,-2.0 13,-1.7 -2,-0.3 2,-0.3 -0.889 43.5-172.2 -88.8 137.5 10.5 -18.3 -26.6 26 26 A G E -BC 8 37A 0 -18,-2.2 -18,-2.4 -2,-0.4 2,-0.6 -0.945 29.6-134.3-132.3 149.6 8.6 -15.0 -26.0 27 27 A I E -BC 7 36A 0 9,-3.0 8,-3.2 -2,-0.3 9,-0.8 -0.938 29.7-164.1 -97.8 119.8 8.2 -12.3 -23.4 28 28 A D E -B 6 0A 0 -22,-3.0 -22,-2.8 -2,-0.6 2,-0.5 -0.912 13.0-178.4-109.0 125.6 4.5 -11.5 -23.1 29 29 A I E S-B 5 0A 13 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.896 78.1 -37.4-123.2 96.3 3.3 -8.4 -21.4 30 30 A K S S+ 0 0 130 -26,-3.2 2,-0.3 -2,-0.5 -25,-0.1 0.513 128.0 73.7 67.1 10.1 -0.5 -8.2 -21.4 31 31 A S S S- 0 0 11 -27,-0.2 -2,-0.2 2,-0.1 4,-0.2 -0.987 76.6-135.4-146.2 143.4 -0.7 -9.8 -24.8 32 32 A V S S+ 0 0 1 203,-0.6 2,-1.0 201,-0.4 202,-0.1 0.653 91.0 92.6 -62.0 -16.3 -0.2 -13.3 -26.3 33 33 A R S S- 0 0 89 202,-0.5 -4,-0.3 -4,-0.1 -15,-0.1 -0.722 89.5-125.3 -85.2 106.4 1.8 -11.3 -29.0 34 34 A S - 0 0 26 -2,-1.0 -6,-0.3 1,-0.1 3,-0.2 -0.163 10.7-148.5 -60.1 140.7 5.2 -11.5 -27.6 35 35 A K S S+ 0 0 100 -8,-3.2 2,-0.3 1,-0.3 -1,-0.1 0.804 91.9 13.3 -71.4 -35.1 7.1 -8.1 -27.1 36 36 A K E S-C 27 0A 87 -9,-0.8 -9,-3.0 41,-0.1 -1,-0.3 -0.986 74.1-179.5-141.1 138.7 10.2 -10.0 -27.8 37 37 A T E -C 26 0A 45 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.889 10.1-161.5-128.0 162.4 10.8 -13.5 -29.2 38 38 A A E -C 25 0A 20 -13,-1.7 -13,-2.0 -2,-0.3 2,-0.1 -0.977 36.0-101.5-137.5 141.3 13.8 -15.6 -30.0 39 39 A K E -C 24 0A 141 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.430 41.7-161.4 -61.3 136.1 13.8 -18.6 -32.3 40 40 A W - 0 0 1 -17,-2.7 2,-1.3 -30,-0.2 33,-0.1 -0.982 19.6-147.1-129.3 123.3 13.7 -21.8 -30.3 41 41 A N - 0 0 97 -2,-0.5 2,-0.2 -19,-0.1 30,-0.1 -0.747 22.1-153.6 -83.6 88.3 14.6 -25.3 -31.4 42 42 A M - 0 0 20 -2,-1.3 2,-0.9 -32,-0.1 25,-0.0 -0.487 9.1-142.3 -55.8 122.2 12.2 -27.3 -29.3 43 43 A Q > - 0 0 24 -2,-0.2 3,-2.2 3,-0.1 154,-0.3 -0.860 21.9-128.6 -98.8 105.3 13.9 -30.7 -28.9 44 44 A N T 3 S+ 0 0 79 -2,-0.9 154,-0.2 1,-0.3 3,-0.1 -0.267 84.4 1.8 -65.9 130.4 11.0 -33.1 -29.1 45 45 A G T 3 S+ 0 0 27 152,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.507 103.7 117.0 74.0 1.8 10.9 -35.6 -26.2 46 46 A K S < S- 0 0 118 -3,-2.2 151,-0.7 151,-0.4 2,-0.7 -0.754 73.2-107.4 -96.1 153.0 13.9 -34.1 -24.5 47 47 A V E -H 196 0B 53 -2,-0.3 2,-0.2 149,-0.2 149,-0.2 -0.669 40.8-166.4 -76.4 112.7 13.9 -32.5 -21.1 48 48 A G E -H 195 0B 0 147,-2.1 147,-2.2 -2,-0.7 2,-0.4 -0.627 10.5-145.2 -96.0 160.1 14.3 -28.8 -21.4 49 49 A T E -HI 194 66B 23 17,-2.9 17,-3.1 145,-0.2 2,-0.4 -0.993 9.4-167.4-122.1 131.4 15.1 -26.2 -18.8 50 50 A A E -HI 193 65B 1 143,-3.1 143,-2.5 -2,-0.4 2,-0.4 -0.987 2.7-171.3-112.2 135.0 13.7 -22.7 -18.7 51 51 A H E -HI 192 64B 8 13,-2.6 13,-2.7 -2,-0.4 2,-0.4 -0.993 3.3-168.1-124.3 132.7 15.2 -20.0 -16.4 52 52 A I E -HI 191 63B 1 139,-2.9 139,-2.5 -2,-0.4 2,-0.4 -0.992 7.3-176.4-125.2 125.4 13.4 -16.7 -16.1 53 53 A I E +HI 190 62B 22 9,-3.0 9,-3.1 -2,-0.4 2,-0.3 -0.960 10.4 159.1-127.1 140.5 15.1 -13.8 -14.3 54 54 A Y E +H 189 0B 8 135,-2.3 135,-2.9 -2,-0.4 2,-0.3 -0.942 6.6 175.2-146.4 143.1 14.0 -10.3 -13.5 55 55 A N E >> -H 188 0B 4 5,-0.3 4,-1.6 -2,-0.3 5,-0.5 -0.984 36.2-125.4-137.3 158.5 15.0 -7.6 -11.0 56 56 A S T 45S+ 0 0 19 131,-3.6 132,-0.1 -2,-0.3 26,-0.0 0.358 102.3 64.5 -81.0 8.3 13.8 -4.1 -10.6 57 57 A V T 45S+ 0 0 10 130,-0.2 -1,-0.1 3,-0.1 478,-0.1 0.915 118.9 20.7 -90.0 -57.1 17.3 -2.5 -10.9 58 58 A G T 45S- 0 0 6 2,-0.1 -2,-0.2 474,-0.1 3,-0.1 0.739 93.1-149.3 -76.9 -23.7 18.1 -3.5 -14.5 59 59 A K T <5 + 0 0 61 -4,-1.6 20,-1.9 1,-0.2 2,-0.6 0.859 45.9 143.6 52.3 35.8 14.4 -4.0 -15.2 60 60 A R E < - J 0 78B 37 -5,-0.5 2,-0.9 18,-0.2 -5,-0.3 -0.918 42.6-154.0-110.0 116.4 15.2 -6.7 -17.7 61 61 A L E - J 0 77B 1 16,-2.6 16,-2.2 -2,-0.6 2,-0.3 -0.807 25.8-179.4 -87.1 110.4 13.0 -9.7 -18.0 62 62 A S E -IJ 53 76B 0 -9,-3.1 -9,-3.0 -2,-0.9 2,-0.4 -0.882 13.0-178.5-116.4 144.4 15.2 -12.4 -19.3 63 63 A A E -IJ 52 75B 1 12,-3.3 12,-3.3 -2,-0.3 2,-0.4 -0.999 3.5-173.1-140.7 136.1 14.4 -16.0 -20.1 64 64 A V E -IJ 51 74B 2 -13,-2.7 -13,-2.6 -2,-0.4 2,-0.4 -0.985 5.7-164.0-122.5 143.7 16.6 -18.9 -21.4 65 65 A V E +IJ 50 73B 0 8,-2.7 8,-1.9 -2,-0.4 2,-0.3 -0.993 19.9 170.6-124.3 124.4 15.5 -22.3 -22.5 66 66 A S E -IJ 49 72B 7 -17,-3.1 -17,-2.9 -2,-0.4 6,-0.2 -0.855 22.3-153.9-131.7 161.0 18.2 -25.0 -22.8 67 67 A Y > - 0 0 6 4,-1.6 3,-2.1 -2,-0.3 -19,-0.2 -0.895 40.7-101.0-128.3 156.7 18.5 -28.7 -23.3 68 68 A P T 3 S+ 0 0 116 0, 0.0 -20,-0.1 0, 0.0 -1,-0.0 0.789 119.2 65.0 -52.2 -32.6 21.3 -31.0 -22.1 69 69 A N T 3 S- 0 0 118 1,-0.1 3,-0.1 2,-0.1 -3,-0.0 0.789 119.4-110.5 -61.3 -23.5 22.9 -31.0 -25.6 70 70 A G < + 0 0 53 -3,-2.1 2,-0.2 1,-0.4 -1,-0.1 0.327 69.7 142.5 111.2 -7.6 23.5 -27.3 -25.1 71 71 A D + 0 0 44 -30,-0.1 -4,-1.6 -5,-0.0 -1,-0.4 -0.483 27.9 172.6 -45.2 116.4 21.0 -25.8 -27.6 72 72 A S E -J 66 0B 58 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.979 24.9-158.7-134.1 155.4 19.7 -22.7 -25.8 73 73 A A E -J 65 0B 8 -8,-1.9 -8,-2.7 -2,-0.3 2,-0.4 -0.995 13.9-163.3-125.2 131.2 17.5 -19.9 -26.8 74 74 A T E +J 64 0B 55 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.929 9.1 180.0-119.1 140.2 17.5 -16.6 -24.9 75 75 A V E +J 63 0B 0 -12,-3.3 -12,-3.3 -2,-0.4 2,-0.3 -0.998 2.1 177.6-136.8 140.0 15.0 -13.7 -24.8 76 76 A S E -J 62 0B 10 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.998 5.5-179.3-139.5 144.3 15.1 -10.4 -22.9 77 77 A Y E -J 61 0B 85 -16,-2.2 -16,-2.6 -2,-0.3 2,-0.5 -0.949 25.5-133.6-141.9 120.0 12.8 -7.4 -22.8 78 78 A D E +J 60 0B 73 -2,-0.4 2,-0.3 -18,-0.3 -18,-0.2 -0.667 45.0 149.7 -67.1 123.5 13.3 -4.3 -20.6 79 79 A V - 0 0 21 -20,-1.9 2,-1.0 -2,-0.5 3,-0.1 -0.968 49.2-123.8-158.1 139.9 10.0 -3.6 -19.0 80 80 A D > - 0 0 50 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.777 20.9-168.7 -91.2 99.2 9.1 -2.0 -15.7 81 81 A L G >> S+ 0 0 5 -2,-1.0 4,-2.8 1,-0.3 3,-1.3 0.700 79.2 74.5 -67.4 -14.9 6.9 -4.6 -14.0 82 82 A D G 34 S+ 0 0 57 1,-0.3 -1,-0.3 2,-0.2 98,-0.1 0.720 102.3 42.9 -62.1 -24.8 5.9 -2.1 -11.3 83 83 A N G <4 S+ 0 0 127 -3,-1.9 -1,-0.3 3,-0.1 -2,-0.2 0.339 121.5 39.0-102.8 -5.3 3.7 -0.5 -14.0 84 84 A V T <4 S+ 0 0 22 -3,-1.3 -2,-0.2 -4,-0.2 -3,-0.1 0.724 107.0 58.3-109.6 -55.8 2.4 -3.8 -15.3 85 85 A L S < S- 0 0 6 -4,-2.8 -1,-0.2 1,-0.1 4,-0.1 -0.472 79.6-116.2 -85.8 145.7 1.8 -6.1 -12.4 86 86 A P - 0 0 45 0, 0.0 93,-0.2 0, 0.0 94,-0.1 -0.360 39.9-106.2 -62.4 160.7 -0.4 -5.6 -9.4 87 87 A E S S+ 0 0 60 92,-0.1 92,-1.4 91,-0.1 93,-1.2 0.841 108.1 42.1 -58.3 -36.7 1.6 -5.5 -6.2 88 88 A W E S+D 178 0A 15 90,-0.2 127,-0.5 91,-0.1 2,-0.3 -0.957 76.7 160.5-119.5 137.4 0.5 -8.9 -5.2 89 89 A V E -DE 177 214A 0 88,-2.6 88,-3.8 -2,-0.5 2,-0.4 -0.833 36.1-120.9-140.4 170.6 0.3 -11.7 -7.6 90 90 A R E - 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