==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN(AGGLUTININ) 11-FEB-94 5CNA . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.H.NAISMITH,C.EMMERICH,J.HABASH,S.J.HARROP,J.R.HELLIWELL, . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 656 69.2 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 . 413 43.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 109 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 7.9 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 . 6 9 1 4 11 7 11 5 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 . 3 0 0 0 0 3 1 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 0 131 0, 0.0 2,-0.2 0, 0.0 232,-0.0 0.000 360.0 360.0 360.0-129.5 46.1 84.7 33.9 2 2 A D - 0 0 48 230,-0.2 2,-0.7 218,-0.1 213,-0.0 -0.509 360.0-120.7 -91.2 165.6 44.2 86.2 30.9 3 3 A T - 0 0 40 -2,-0.2 213,-0.6 2,-0.0 2,-0.4 -0.962 38.8-175.2-108.0 110.4 44.3 84.3 27.5 4 4 A I E -A 215 0A 4 -2,-0.7 26,-2.9 211,-0.2 2,-0.5 -0.961 21.8-180.0-117.1 129.2 45.9 86.7 25.0 5 5 A V E +AB 214 29A 3 209,-2.2 209,-2.4 -2,-0.4 2,-0.3 -0.996 28.5 172.2-120.4 119.4 46.3 86.3 21.3 6 6 A A E -AB 213 28A 2 22,-2.5 22,-2.9 -2,-0.5 2,-0.6 -0.967 38.7-147.4-138.7 157.8 48.1 89.4 19.9 7 7 A V E -AB 212 27A 2 205,-2.5 205,-2.1 -2,-0.3 2,-0.3 -0.973 32.5-158.1-117.9 108.8 49.7 91.0 16.8 8 8 A E E -AB 211 26A 0 18,-2.2 18,-1.8 -2,-0.6 2,-0.7 -0.724 23.7-159.5 -95.9 147.0 52.5 93.2 18.0 9 9 A L E -AB 210 25A 0 201,-3.0 201,-1.4 -2,-0.3 2,-0.8 -0.866 30.3-166.8-117.1 85.8 54.1 96.2 16.2 10 10 A D E +AB 209 24A 4 14,-2.0 14,-2.1 -2,-0.7 199,-0.2 -0.670 20.7 176.8 -89.2 109.4 57.2 96.1 18.3 11 11 A T + 0 0 0 197,-1.0 198,-0.2 -2,-0.8 -1,-0.2 0.713 63.9 59.8 -85.3 -17.0 59.4 99.1 18.0 12 12 A Y S S- 0 0 66 196,-1.1 2,-0.5 12,-0.1 -1,-0.1 -0.934 75.6-135.8-121.8 120.2 62.1 98.2 20.6 13 13 A P - 0 0 29 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.606 16.8-175.0 -73.7 117.0 64.3 95.1 20.3 14 14 A N > > - 0 0 26 -2,-0.5 3,-2.0 1,-0.2 5,-1.8 -0.812 5.4-179.2-111.5 79.7 64.6 93.4 23.7 15 15 A T G > 5S+ 0 0 78 -2,-0.8 3,-2.0 1,-0.3 -1,-0.2 0.876 73.8 67.2 -51.5 -36.2 67.1 90.8 22.6 16 16 A D G 3 5S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.678 103.3 42.3 -62.1 -23.5 67.1 89.4 26.0 17 17 A I G < 5S- 0 0 7 -3,-2.0 -1,-0.3 15,-0.1 -2,-0.2 0.111 130.8 -84.9-109.2 18.9 63.5 88.2 25.8 18 18 A G T < 5S+ 0 0 54 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.594 77.5 145.7 98.4 3.9 63.7 86.8 22.3 19 19 A D < - 0 0 12 -5,-1.8 -1,-0.3 1,-0.1 14,-0.0 -0.551 54.2-108.6 -72.7 143.6 63.1 89.9 20.1 20 20 A P - 0 0 23 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.228 34.3-107.4 -46.2 158.1 64.8 90.3 16.8 21 21 A S S S+ 0 0 96 -8,-0.1 -6,-0.0 -7,-0.1 -2,-0.0 0.303 100.9 50.9 -83.5 18.2 67.6 93.0 16.8 22 22 A Y S S- 0 0 96 -10,-0.1 -10,-0.1 1,-0.0 19,-0.1 -0.929 106.3 -73.1-142.5 158.1 65.4 95.3 14.6 23 23 A P + 0 0 29 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.273 65.0 172.9 -44.3 140.9 61.8 96.6 14.8 24 24 A H E -BC 10 39A 0 -14,-2.1 -14,-2.0 15,-0.3 2,-0.4 -0.957 36.6-123.0-156.2 168.3 59.4 93.8 14.0 25 25 A I E +BC 9 38A 1 13,-2.1 13,-1.9 -2,-0.3 2,-0.3 -0.877 37.5 179.0-112.6 146.6 55.9 92.5 13.7 26 26 A G E -BC 8 37A 0 -18,-1.8 -18,-2.2 -2,-0.4 2,-0.6 -0.972 32.7-132.7-153.6 160.2 54.9 89.4 15.6 27 27 A I E -BC 7 36A 0 9,-1.9 8,-2.8 -2,-0.3 9,-0.8 -0.984 27.0-165.3-116.2 116.3 52.2 87.0 16.5 28 28 A D E -B 6 0A 0 -22,-2.9 -22,-2.5 -2,-0.6 2,-0.8 -0.930 8.5-167.8-106.3 120.2 52.1 86.3 20.2 29 29 A I E S-B 5 0A 21 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.910 78.0 -41.1-114.9 99.3 50.0 83.3 21.4 30 30 A K S S+ 0 0 122 -26,-2.9 2,-0.3 -2,-0.8 -25,-0.1 0.588 127.5 70.5 59.0 19.2 49.8 83.8 25.2 31 31 A S S S- 0 0 13 -27,-0.2 4,-0.1 206,-0.1 205,-0.1 -0.965 79.1-127.8-156.4 152.1 53.4 84.9 25.6 32 32 A V S S+ 0 0 1 203,-0.3 2,-1.2 -2,-0.3 204,-0.1 0.590 91.9 91.9 -77.4 -13.7 55.4 88.1 24.7 33 33 A R S S- 0 0 102 -4,-0.1 -4,-0.3 -14,-0.0 -15,-0.1 -0.726 87.7-130.1 -86.0 94.4 58.0 85.7 22.9 34 34 A S - 0 0 29 -2,-1.2 -6,-0.2 1,-0.1 3,-0.1 -0.102 10.0-145.3 -46.9 138.7 56.4 85.8 19.5 35 35 A K S S+ 0 0 105 -8,-2.8 2,-0.3 1,-0.3 -1,-0.1 0.710 90.3 9.5 -77.2 -21.4 55.8 82.5 17.8 36 36 A K E S-C 27 0A 109 -9,-0.8 -9,-1.9 41,-0.1 -1,-0.3 -0.963 71.2-177.1-156.3 138.5 56.7 84.2 14.5 37 37 A T E -C 26 0A 45 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.886 8.4-160.1-134.3 168.7 58.1 87.7 13.6 38 38 A A E -C 25 0A 20 -13,-1.9 -13,-2.1 -2,-0.3 35,-0.1 -0.983 34.5 -99.0-148.4 144.6 58.9 89.7 10.4 39 39 A K E -C 24 0A 119 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.338 37.6-159.0 -64.5 146.4 61.2 92.6 10.0 40 40 A W - 0 0 7 -17,-2.5 2,-1.4 -30,-0.1 32,-0.1 -0.984 16.1-149.3-136.4 126.4 59.5 96.0 10.0 41 41 A N - 0 0 112 -2,-0.5 2,-0.2 30,-0.1 -17,-0.1 -0.756 28.4-157.8 -94.5 88.1 61.0 99.1 8.6 42 42 A M - 0 0 40 -2,-1.4 2,-0.7 -31,-0.1 -2,-0.0 -0.494 6.2-149.3 -70.9 137.3 59.2 101.5 11.0 43 43 A Q > - 0 0 61 -2,-0.2 3,-2.4 3,-0.2 156,-0.3 -0.821 14.2-139.1-117.8 96.4 58.9 105.0 9.8 44 44 A N T 3 S+ 0 0 74 -2,-0.7 156,-0.2 1,-0.3 3,-0.1 -0.258 85.7 12.2 -55.5 120.6 58.9 107.4 12.7 45 45 A G T 3 S+ 0 0 32 154,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.355 101.5 110.6 92.2 -3.0 56.4 110.2 12.3 46 46 A K S < S- 0 0 120 -3,-2.4 153,-0.7 153,-0.4 2,-0.3 -0.806 71.7-112.4-106.0 151.4 54.4 108.6 9.4 47 47 A V E -G 198 0B 50 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.622 39.9-172.0 -79.0 127.8 50.8 107.2 9.5 48 48 A G E -G 197 0B 0 149,-2.6 149,-1.9 -2,-0.3 2,-0.4 -0.773 13.7-141.8-116.0 170.2 50.8 103.4 9.0 49 49 A T E -GH 196 66B 3 17,-2.5 17,-2.8 -2,-0.3 2,-0.4 -0.984 9.2-164.6-135.1 140.8 48.0 100.8 8.5 50 50 A A E -GH 195 65B 1 145,-2.3 145,-1.9 -2,-0.4 2,-0.4 -0.978 1.2-166.4-127.5 139.7 47.8 97.3 9.8 51 51 A H E -GH 194 64B 16 13,-2.3 13,-1.9 -2,-0.4 2,-0.4 -0.989 3.2-172.6-125.5 134.3 45.5 94.6 8.6 52 52 A I E +GH 193 63B 0 141,-2.6 141,-2.2 -2,-0.4 2,-0.3 -0.997 9.7 176.5-127.6 133.1 44.9 91.4 10.6 53 53 A I E +GH 192 62B 33 9,-2.6 9,-2.3 -2,-0.4 2,-0.3 -0.967 7.5 166.3-138.8 155.7 42.8 88.5 9.1 54 54 A Y E -GH 191 61B 17 137,-1.7 137,-2.0 -2,-0.3 2,-0.3 -0.954 6.7-177.7-166.0 144.1 41.8 85.0 10.1 55 55 A N E >> -GH 190 60B 17 5,-0.6 4,-2.1 -2,-0.3 5,-0.8 -0.984 31.9-127.3-149.1 144.8 39.3 82.4 9.0 56 56 A S T 45S+ 0 0 17 133,-2.5 134,-0.1 -2,-0.3 26,-0.1 0.521 101.9 64.7 -68.9 -12.0 38.5 79.0 10.4 57 57 A V T 45S+ 0 0 26 132,-0.3 -1,-0.2 1,-0.1 482,-0.1 0.924 118.5 23.8 -78.1 -47.9 39.0 77.1 7.1 58 58 A D T 45S- 0 0 17 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.737 91.8-148.9 -85.3 -27.9 42.7 77.9 6.8 59 59 A K T <5 + 0 0 66 -4,-2.1 20,-1.6 1,-0.2 2,-0.4 0.935 50.4 133.6 53.0 53.8 43.2 78.5 10.5 60 60 A R E < -HI 55 78B 43 -5,-0.8 -5,-0.6 18,-0.3 2,-0.5 -1.000 47.5-151.4-135.8 131.1 45.9 81.0 9.8 61 61 A L E +HI 54 77B 3 16,-2.7 16,-1.8 -2,-0.4 2,-0.3 -0.939 23.2 179.0-104.7 127.9 46.3 84.3 11.4 62 62 A S E -HI 53 76B 0 -9,-2.3 -9,-2.6 -2,-0.5 2,-0.3 -0.953 12.0-173.1-132.2 145.0 48.0 86.9 9.2 63 63 A A E -HI 52 75B 2 12,-2.3 12,-2.1 -2,-0.3 2,-0.4 -0.956 3.6-168.4-133.9 150.4 48.9 90.6 9.6 64 64 A V E -HI 51 74B 2 -13,-1.9 -13,-2.3 -2,-0.3 2,-0.4 -0.986 6.3-165.8-138.5 132.4 50.3 93.1 7.0 65 65 A V E +HI 50 73B 3 8,-2.5 8,-2.1 -2,-0.4 2,-0.3 -0.986 17.0 171.7-123.6 135.1 51.7 96.5 8.1 66 66 A S E -H 49 0B 4 -17,-2.8 -17,-2.5 -2,-0.4 6,-0.1 -0.965 28.5-158.5-148.1 155.9 52.3 99.2 5.6 67 67 A Y > - 0 0 5 4,-0.4 3,-1.1 -2,-0.3 -19,-0.1 -0.908 50.3 -85.2-121.4 150.3 53.2 102.8 5.0 68 68 A P T 3 S+ 0 0 55 0, 0.0 527,-0.1 0, 0.0 3,-0.1 -0.373 110.2 8.3 -58.4 136.3 52.3 104.6 1.7 69 69 A N T 3 S+ 0 0 150 1,-0.2 2,-0.3 592,-0.1 526,-0.0 0.752 112.5 92.1 61.5 35.7 54.9 104.1 -1.0 70 70 A A S < S- 0 0 40 -3,-1.1 -1,-0.2 524,-0.1 -3,-0.2 -0.936 82.4 -91.7-146.0 161.8 56.9 101.5 0.8 71 71 A D - 0 0 159 -2,-0.3 -4,-0.4 -3,-0.1 2,-0.3 -0.326 42.4-123.7 -74.3 162.1 56.9 97.8 1.0 72 72 A S - 0 0 51 -6,-0.1 2,-0.4 -32,-0.1 -6,-0.2 -0.773 8.6-131.6-108.7 152.5 54.9 96.1 3.6 73 73 A A E -I 65 0B 15 -8,-2.1 -8,-2.5 -2,-0.3 2,-0.3 -0.849 26.8-170.7-101.3 143.7 55.9 93.6 6.3 74 74 A T E +I 64 0B 57 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.970 10.6 179.8-134.7 146.4 53.8 90.5 6.6 75 75 A V E +I 63 0B 7 -12,-2.1 -12,-2.3 -2,-0.3 2,-0.3 -0.991 3.9 179.5-146.6 142.0 53.7 87.7 9.2 76 76 A S E -I 62 0B 23 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.971 4.1-177.4-140.9 155.4 51.4 84.6 9.3 77 77 A Y E -I 61 0B 83 -16,-1.8 -16,-2.7 -2,-0.3 2,-0.6 -0.942 26.9-125.8-156.2 132.7 51.2 81.7 11.7 78 78 A D E +I 60 0B 93 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.753 46.7 147.4 -85.7 123.2 48.9 78.7 11.6 79 79 A V - 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