==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 19-NOV-05 2D7F . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA GLADIATA; . AUTHOR P.DELATORRE,B.A.M.ROCHA,E.P.SOUZA,B.T.FREITAS, . 952 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 662 69.5 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 . 410 43.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 113 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 8 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 . 4 12 0 4 12 4 16 2 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 4 0 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 0 130 0, 0.0 232,-0.1 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 165.5 35.9 34.3 92.1 2 2 A D - 0 0 41 218,-0.1 2,-0.5 230,-0.1 213,-0.0 -0.248 360.0-117.8 -63.1 160.9 37.6 34.5 88.7 3 3 A T - 0 0 40 2,-0.0 213,-0.8 26,-0.0 2,-0.5 -0.959 38.2-167.8-103.0 121.2 35.8 35.9 85.7 4 4 A I E +A 215 0A 1 -2,-0.5 26,-3.2 211,-0.2 2,-0.4 -0.956 25.3 174.7-119.6 130.2 35.6 33.2 83.0 5 5 A V E +AB 214 29A 3 209,-2.7 209,-2.5 -2,-0.5 2,-0.3 -0.987 29.0 164.4-114.3 131.0 34.6 33.2 79.4 6 6 A A E -AB 213 28A 1 22,-2.3 22,-3.1 -2,-0.4 2,-0.6 -1.000 42.5-141.0-145.3 153.2 35.2 29.8 77.8 7 7 A V E -AB 212 27A 2 205,-2.4 205,-2.2 -2,-0.3 2,-0.4 -0.977 36.4-154.0-103.2 118.3 34.4 27.6 74.9 8 8 A E E -AB 211 26A 0 18,-2.6 18,-2.4 -2,-0.6 2,-0.8 -0.845 22.5-161.6-100.6 138.3 34.0 24.1 76.3 9 9 A L E -AB 210 25A 0 201,-3.9 201,-1.5 -2,-0.4 2,-0.8 -0.882 28.1-166.8-105.0 91.7 34.5 20.8 74.6 10 10 A D E +AB 209 24A 0 14,-2.8 14,-2.3 -2,-0.8 199,-0.2 -0.736 19.3 179.2 -99.8 111.0 32.5 18.9 77.1 11 11 A T + 0 0 0 197,-1.1 198,-0.2 -2,-0.8 -1,-0.1 0.516 65.2 57.6 -88.0 -4.6 32.9 15.1 76.8 12 12 A Y S S- 0 0 57 196,-0.8 2,-1.1 10,-0.1 -1,-0.1 -0.998 76.6-131.0-140.2 123.5 30.6 14.2 79.6 13 13 A P + 0 0 20 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.647 22.0 180.0 -81.2 100.2 26.9 14.9 80.1 14 14 A N > > + 0 0 23 -2,-1.1 5,-2.0 1,-0.2 3,-1.5 -0.718 5.5 172.8 -96.7 80.5 26.4 16.2 83.6 15 15 A T G > 5 + 0 0 75 -2,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.728 69.3 72.0 -69.3 -17.3 22.7 16.7 83.3 16 16 A D G 3 5S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.699 105.1 40.2 -65.7 -21.7 22.5 17.6 87.0 17 17 A I G < 5S- 0 0 7 -3,-1.5 -1,-0.3 15,-0.1 -2,-0.2 -0.031 131.9 -89.2-116.7 25.5 24.2 20.9 86.2 18 18 A G T < 5S+ 0 0 48 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.490 73.7 149.9 88.1 3.9 22.3 21.5 83.0 19 19 A D < - 0 0 8 -5,-2.0 -1,-0.3 1,-0.1 14,-0.1 -0.436 53.4-111.2 -60.2 143.4 24.5 19.8 80.4 20 20 A P - 0 0 24 0, 0.0 2,-1.8 0, 0.0 -6,-0.1 -0.323 39.7 -97.8 -63.1 158.4 22.6 18.5 77.5 21 21 A N S S+ 0 0 120 -8,-0.1 18,-0.0 -6,-0.1 -2,-0.0 -0.354 99.4 47.5 -84.8 61.5 22.6 14.6 77.5 22 22 A Y S S- 0 0 82 -2,-1.8 -10,-0.1 -12,-0.1 -8,-0.1 -0.899 103.5 -68.8-176.3 159.4 25.4 14.1 75.0 23 23 A P + 0 0 28 0, 0.0 17,-2.6 0, 0.0 2,-0.3 -0.308 65.9 172.3 -52.8 140.3 28.9 15.4 74.4 24 24 A H E -BC 10 39A 0 -14,-2.3 -14,-2.8 15,-0.3 2,-0.3 -0.976 37.5-124.8-155.9 158.7 28.7 19.0 73.4 25 25 A I E -BC 9 38A 0 13,-2.1 13,-1.8 -2,-0.3 2,-0.3 -0.825 40.2-178.1-103.7 147.7 30.5 22.2 72.7 26 26 A G E -BC 8 37A 0 -18,-2.4 -18,-2.6 -2,-0.3 2,-0.6 -0.999 33.4-128.6-153.7 156.1 29.4 25.2 74.7 27 27 A I E -BC 7 36A 0 9,-2.5 8,-2.8 -2,-0.3 9,-0.8 -0.933 27.6-162.9-109.3 116.0 29.9 28.8 75.3 28 28 A D E -B 6 0A 0 -22,-3.1 -22,-2.3 -2,-0.6 2,-0.7 -0.884 9.7-177.0-107.0 113.5 30.4 29.5 79.0 29 29 A I E S-B 5 0A 15 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.914 78.3 -39.6-114.8 96.0 29.9 33.1 80.2 30 30 A K S S+ 0 0 121 -26,-3.2 2,-0.3 -2,-0.7 -25,-0.1 0.597 130.0 68.8 65.2 15.0 30.7 33.2 83.9 31 31 A S S S- 0 0 8 -27,-0.2 -2,-0.2 206,-0.1 4,-0.2 -0.965 77.8-132.0-157.9 150.2 29.0 29.9 84.4 32 32 A V S S+ 0 0 0 203,-0.3 2,-1.8 -2,-0.3 204,-0.1 0.629 90.5 94.2 -74.7 -18.6 29.6 26.3 83.5 33 33 A R S S- 0 0 104 -4,-0.1 -4,-0.3 -14,-0.1 -1,-0.1 -0.641 88.6-129.0 -77.4 85.6 26.1 26.2 82.5 34 34 A S - 0 0 25 -2,-1.8 -6,-0.2 1,-0.2 3,-0.2 0.039 7.2-145.1 -35.3 128.8 26.7 27.0 78.8 35 35 A K S S+ 0 0 98 -8,-2.8 2,-0.3 1,-0.3 -1,-0.2 0.761 91.2 12.0 -69.1 -23.7 24.6 29.9 77.5 36 36 A K E S-C 27 0A 100 -9,-0.8 -9,-2.5 41,-0.1 -1,-0.3 -0.977 72.6-178.0-157.7 135.8 24.6 27.9 74.3 37 37 A T E -C 26 0A 46 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.890 9.4-161.9-127.6 163.1 25.5 24.3 73.4 38 38 A A E -C 25 0A 21 -13,-1.8 -13,-2.1 -2,-0.3 35,-0.1 -0.984 36.2 -99.6-137.5 147.4 25.7 22.2 70.3 39 39 A K E -C 24 0A 151 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.327 41.5-164.0 -62.1 141.0 25.8 18.4 70.1 40 40 A W - 0 0 5 -17,-2.6 2,-1.4 -30,-0.1 26,-0.1 -0.978 20.8-145.0-135.0 123.0 29.3 17.2 69.5 41 41 A N - 0 0 78 -2,-0.4 2,-0.4 -19,-0.1 -30,-0.0 -0.739 22.5-160.2 -81.7 88.4 30.5 13.8 68.4 42 42 A M - 0 0 18 -2,-1.4 2,-0.8 -32,-0.1 -2,-0.0 -0.676 11.0-142.9 -64.6 122.7 33.7 13.6 70.3 43 43 A Q > - 0 0 23 -2,-0.4 3,-2.1 3,-0.1 156,-0.3 -0.875 16.0-128.5 -97.7 104.8 35.7 10.9 68.5 44 44 A N T 3 S+ 0 0 72 -2,-0.8 156,-0.2 1,-0.3 3,-0.1 -0.231 87.9 6.1 -52.8 119.4 37.6 8.9 71.0 45 45 A G T 3 S+ 0 0 28 154,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.385 103.0 114.2 88.3 -8.0 41.3 8.7 70.1 46 46 A K S < S- 0 0 110 -3,-2.1 153,-0.7 153,-0.4 2,-0.6 -0.622 72.0-108.1 -93.4 159.6 41.2 11.1 67.1 47 47 A V E -G 198 0B 53 -2,-0.2 2,-0.3 151,-0.2 151,-0.2 -0.749 41.2-169.3 -89.0 119.8 42.8 14.4 66.7 48 48 A G E -G 197 0B 0 149,-3.0 149,-2.4 -2,-0.6 2,-0.4 -0.706 12.4-144.4-106.2 164.0 40.3 17.2 66.8 49 49 A T E -GH 196 66B 37 17,-2.8 17,-2.6 -2,-0.3 2,-0.4 -0.994 9.0-165.7-129.8 126.1 40.5 20.9 66.1 50 50 A A E -GH 195 65B 1 145,-3.1 145,-2.2 -2,-0.4 2,-0.4 -0.926 2.4-168.8-109.0 135.2 38.7 23.7 67.9 51 51 A H E -GH 194 64B 70 13,-2.8 13,-2.1 -2,-0.4 2,-0.4 -0.989 1.9-170.6-120.4 133.6 38.4 27.2 66.5 52 52 A I E +GH 193 63B 1 141,-3.4 141,-2.3 -2,-0.4 2,-0.4 -0.989 8.9 177.5-124.2 133.3 37.1 30.1 68.6 53 53 A I E +GH 192 62B 84 9,-2.7 9,-3.1 -2,-0.4 2,-0.3 -0.992 7.4 159.9-139.7 141.7 36.3 33.5 67.1 54 54 A Y E -GH 191 61B 7 137,-2.1 137,-2.1 -2,-0.4 2,-0.3 -0.954 10.8-173.7-147.9 143.2 34.9 36.7 68.4 55 55 A N E >> -GH 190 60B 56 5,-0.6 4,-2.2 -2,-0.3 5,-0.7 -0.994 30.0-130.2-132.7 158.8 35.0 40.3 67.4 56 56 A S T 45S+ 0 0 13 133,-4.8 134,-0.1 -2,-0.3 26,-0.1 0.444 104.0 57.0 -70.6 -9.3 33.7 43.3 69.2 57 57 A V T 45S+ 0 0 95 132,-0.3 -1,-0.2 3,-0.1 133,-0.1 0.923 117.3 28.3 -88.1 -55.3 31.8 44.5 66.1 58 58 A G T 45S- 0 0 49 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.771 91.9-152.0 -71.7 -33.3 29.6 41.5 65.5 59 59 A K T <5 + 0 0 70 -4,-2.2 20,-1.5 1,-0.2 2,-0.4 0.917 49.1 131.3 59.4 46.7 29.7 40.7 69.2 60 60 A R E < -HI 55 78B 114 -5,-0.7 2,-0.6 18,-0.3 -5,-0.6 -0.999 48.1-151.4-135.9 117.3 29.1 37.0 68.4 61 61 A L E -HI 54 77B 1 16,-3.3 16,-2.1 -2,-0.4 2,-0.3 -0.897 23.1-175.4 -97.1 121.3 31.3 34.4 70.0 62 62 A S E -HI 53 76B 28 -9,-3.1 -9,-2.7 -2,-0.6 2,-0.3 -0.861 11.5-178.5-124.0 148.1 31.6 31.5 67.7 63 63 A A E -HI 52 75B 0 12,-3.1 12,-2.5 -2,-0.3 2,-0.3 -0.993 3.9-174.6-148.1 142.9 33.2 28.1 68.1 64 64 A V E -HI 51 74B 36 -13,-2.1 -13,-2.8 -2,-0.3 2,-0.4 -0.993 4.9-165.8-133.3 141.6 33.6 25.1 65.8 65 65 A V E +HI 50 73B 0 8,-2.5 8,-2.7 -2,-0.3 2,-0.3 -0.997 18.2 173.7-130.5 130.4 35.1 21.7 66.6 66 66 A S E -HI 49 72B 37 -17,-2.6 -17,-2.8 -2,-0.4 6,-0.2 -0.897 22.7-149.0-136.4 156.5 35.9 19.3 63.9 67 67 A Y > - 0 0 7 4,-1.7 3,-2.5 -2,-0.3 -19,-0.1 -0.871 39.0-103.5-119.2 157.4 37.6 16.0 63.2 68 68 A P T 3 S+ 0 0 111 0, 0.0 -20,-0.1 0, 0.0 -1,-0.1 0.877 117.9 66.9 -50.9 -39.2 39.5 14.9 60.0 69 69 A N T 3 S- 0 0 109 1,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.457 118.4-111.3 -63.5 2.1 36.5 12.8 58.9 70 70 A G S < S+ 0 0 56 -3,-2.5 -1,-0.1 1,-0.3 2,-0.0 0.223 71.2 139.5 91.7 -18.3 34.6 16.2 58.5 71 71 A D + 0 0 75 -5,-0.1 -4,-1.7 -30,-0.0 2,-0.3 -0.379 31.0 174.4 -58.0 131.2 32.1 15.8 61.4 72 72 A S E -I 66 0B 61 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.998 24.9-156.5-146.2 144.7 31.9 19.3 63.0 73 73 A A E -I 65 0B 9 -8,-2.7 -8,-2.5 -2,-0.3 2,-0.3 -0.986 14.0-166.7-122.5 139.9 29.9 21.0 65.6 74 74 A T E +I 64 0B 74 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.909 10.5 177.5-125.2 151.0 29.3 24.7 65.9 75 75 A V E -I 63 0B 6 -12,-2.5 -12,-3.1 -2,-0.3 2,-0.3 -0.978 2.2-179.5-151.8 146.5 28.0 27.1 68.5 76 76 A S E -I 62 0B 24 -2,-0.3 2,-0.4 -14,-0.3 -14,-0.2 -0.978 2.8-173.7-146.1 140.8 27.7 30.9 68.5 77 77 A Y E -I 61 0B 73 -16,-2.1 -16,-3.3 -2,-0.3 2,-0.6 -0.972 25.6-125.6-147.2 130.3 26.4 33.2 71.1 78 78 A D E +I 60 0B 86 -2,-0.4 2,-0.3 -18,-0.3 -18,-0.3 -0.683 48.9 146.8 -78.8 119.1 25.8 36.9 71.0 79 79 A V - 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