==== 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 LECTIN 08-AUG-96 1GIC . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR G.M.BRADBROOK,T.GLEICHMANN,S.J.HARROP,J.R.HELLIWELL,J.HABASH . 474 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 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 . 207 43.7 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 54 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 . 1 7 0 2 7 4 3 3 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 121 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 126.1 29.3 103.8 115.2 2 2 A D - 0 0 56 1,-0.0 2,-0.5 220,-0.0 213,-0.0 0.749 360.0-173.3 -85.2 154.7 30.1 106.1 113.6 3 3 A T - 0 0 28 -2,-0.1 213,-0.6 2,-0.0 2,-0.4 -0.978 11.6-171.1-109.3 122.3 33.7 105.1 112.9 4 4 A I E -A 215 0A 5 -2,-0.5 26,-3.0 211,-0.2 2,-0.4 -0.966 23.8-179.8-124.1 136.3 35.5 107.8 111.2 5 5 A V E +AB 214 29A 2 209,-1.8 209,-2.1 -2,-0.4 2,-0.3 -0.989 29.6 171.4-119.9 127.6 39.0 108.0 109.6 6 6 A A E -AB 213 28A 1 22,-2.5 22,-2.8 -2,-0.4 2,-0.6 -0.992 38.4-146.3-144.8 154.8 39.5 111.6 108.2 7 7 A V E -AB 212 27A 3 205,-2.7 205,-2.3 -2,-0.3 2,-0.3 -0.987 33.6-159.2-115.7 111.4 42.1 113.9 106.6 8 8 A E E -AB 211 26A 0 18,-2.4 18,-2.1 -2,-0.6 2,-0.7 -0.765 24.1-159.1-101.3 147.2 41.3 117.3 107.9 9 9 A L E -AB 210 25A 0 201,-2.8 201,-1.7 -2,-0.3 2,-0.6 -0.944 29.1-167.7-118.2 87.1 42.3 120.7 106.4 10 10 A D E +AB 209 24A 3 14,-2.4 14,-2.2 -2,-0.7 199,-0.2 -0.795 20.1 175.9 -90.2 116.9 41.8 122.6 109.6 11 11 A T + 0 0 7 197,-1.3 198,-0.2 -2,-0.6 -1,-0.1 0.604 64.3 59.7 -95.4 -13.4 41.8 126.4 109.2 12 12 A Y S S- 0 0 77 196,-0.9 2,-0.4 12,-0.1 -1,-0.1 -0.958 77.3-134.1-121.8 118.8 40.9 127.5 112.8 13 13 A P - 0 0 38 0, 0.0 2,-0.6 0, 0.0 8,-0.1 -0.561 18.5-177.0 -74.1 119.6 43.1 126.5 115.8 14 14 A N > > + 0 0 20 -2,-0.4 3,-2.1 6,-0.2 5,-1.9 -0.803 6.3 179.6-114.3 79.4 41.1 125.3 118.8 15 15 A T G > 5S+ 0 0 92 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.742 73.7 67.0 -59.2 -22.4 44.1 124.9 121.1 16 16 A D G 3 5S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.719 103.3 43.9 -74.3 -21.5 41.8 123.6 123.9 17 17 A I G < 5S- 0 0 6 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.025 132.3 -86.1-109.5 25.2 41.0 120.4 121.9 18 18 A G T < 5S+ 0 0 51 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.513 77.3 145.4 91.4 4.1 44.5 119.8 120.9 19 19 A D < - 0 0 11 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.533 53.1-114.8 -72.2 145.9 45.0 121.8 117.7 20 20 A P - 0 0 25 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.296 36.8-105.3 -57.3 160.3 48.4 123.4 117.0 21 21 A S S S+ 0 0 93 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 0.113 99.2 61.3 -84.2 30.8 48.0 127.2 117.0 22 22 A Y S S- 0 0 88 -2,-0.1 -10,-0.1 -10,-0.1 2,-0.1 -0.944 102.2 -79.7-141.8 158.1 48.3 127.5 113.2 23 23 A P + 0 0 40 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.388 64.8 170.5 -52.6 140.2 46.1 126.2 110.2 24 24 A H E -BC 10 39A 0 -14,-2.2 -14,-2.4 15,-0.3 2,-0.4 -0.926 38.3-125.7-150.6 169.9 47.1 122.6 109.8 25 25 A I E +BC 9 38A 0 13,-2.1 13,-1.5 -2,-0.3 2,-0.3 -0.924 37.5 178.2-117.6 143.9 46.3 119.3 108.0 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.4 -2,-0.4 2,-0.5 -0.982 33.6-124.0-149.0 161.4 45.9 116.3 110.2 27 27 A I E -BC 7 36A 0 9,-1.7 8,-2.7 -2,-0.3 9,-0.9 -0.957 29.1-164.0-105.8 120.4 45.0 112.5 110.2 28 28 A D E -B 6 0A 0 -22,-2.8 -22,-2.5 -2,-0.5 2,-0.7 -0.948 7.7-171.7-110.5 115.8 42.0 111.8 112.5 29 29 A I E S-B 5 0A 15 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.913 77.8 -39.3-113.3 98.7 41.5 108.2 113.5 30 30 A K S S+ 0 0 125 -26,-3.0 2,-0.3 -2,-0.7 -25,-0.1 0.561 129.1 67.0 59.7 18.6 38.2 108.1 115.3 31 31 A S S S- 0 0 13 -27,-0.2 -2,-0.2 202,-0.1 4,-0.1 -0.972 79.3-126.6-160.2 146.7 38.8 111.4 117.2 32 32 A V S S+ 0 0 2 205,-0.5 2,-1.4 203,-0.3 204,-0.1 0.647 92.3 92.4 -68.7 -19.4 39.1 115.1 116.2 33 33 A R S S- 0 0 101 204,-0.4 -4,-0.3 -4,-0.1 -15,-0.1 -0.706 87.5-131.0 -82.4 97.0 42.4 115.1 118.1 34 34 A S - 0 0 29 -2,-1.4 -6,-0.3 -6,-0.1 3,-0.1 -0.122 8.8-142.9 -49.6 140.4 44.6 114.3 115.2 35 35 A K S S+ 0 0 90 -8,-2.7 2,-0.3 1,-0.3 -7,-0.1 0.710 89.7 8.6 -77.4 -24.4 47.1 111.6 115.5 36 36 A K E S-C 27 0A 111 -9,-0.9 -9,-1.7 41,-0.1 -1,-0.3 -0.974 70.9-172.7-153.8 139.7 49.6 113.6 113.4 37 37 A T E -C 26 0A 50 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.835 7.2-164.2-131.6 170.1 49.5 117.2 112.1 38 38 A A E -C 25 0A 22 -13,-1.5 -13,-2.1 -2,-0.3 2,-0.2 -0.965 35.5-100.9-149.4 142.3 51.6 119.3 109.7 39 39 A K E -C 24 0A 107 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.557 36.4-160.1 -66.7 138.3 51.5 123.1 109.4 40 40 A W - 0 0 4 -17,-2.5 2,-1.7 -2,-0.2 32,-0.1 -0.978 15.6-147.2-123.5 121.8 49.5 124.3 106.4 41 41 A N - 0 0 108 -2,-0.4 2,-0.1 30,-0.2 -17,-0.1 -0.638 27.1-157.7 -90.8 83.5 50.0 127.8 104.8 42 42 A M - 0 0 34 -2,-1.7 2,-0.8 1,-0.1 25,-0.0 -0.431 3.7-146.4 -61.6 130.9 46.3 128.2 103.8 43 43 A Q > - 0 0 58 3,-0.1 3,-2.0 -2,-0.1 156,-0.3 -0.903 16.4-131.2-109.1 104.4 46.0 130.7 101.0 44 44 A N T 3 S+ 0 0 64 -2,-0.8 156,-0.2 1,-0.3 3,-0.1 -0.319 86.5 5.4 -57.7 124.0 42.7 132.5 101.4 45 45 A G T 3 S+ 0 0 35 154,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.428 101.8 114.0 82.5 2.3 40.8 132.7 98.2 46 46 A K < - 0 0 107 -3,-2.0 153,-0.7 153,-0.4 2,-0.5 -0.777 69.8-115.1-105.7 154.2 43.1 130.4 96.1 47 47 A V E -H 198 0B 59 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.721 39.1-174.7 -84.8 123.2 42.2 127.0 94.8 48 48 A G E -H 197 0B 0 149,-1.9 149,-2.1 -2,-0.5 2,-0.4 -0.758 16.7-132.9-117.3 168.8 44.2 124.2 96.3 49 49 A T E -HI 196 66B 33 17,-2.6 17,-2.6 -2,-0.3 2,-0.4 -0.956 9.9-163.6-123.1 139.6 44.5 120.4 95.8 50 50 A A E -HI 195 65B 0 145,-2.2 145,-1.6 -2,-0.4 2,-0.4 -0.967 4.5-170.2-120.8 133.7 44.5 117.6 98.4 51 51 A H E -HI 194 64B 83 13,-2.7 13,-2.5 -2,-0.4 2,-0.4 -0.999 4.8-171.9-125.6 127.1 45.8 114.1 97.4 52 52 A I E +HI 193 63B 1 141,-2.5 141,-2.4 -2,-0.4 2,-0.3 -0.988 8.0 179.0-123.2 132.4 45.2 111.2 99.9 53 53 A I E +HI 192 62B 90 9,-2.4 9,-2.3 -2,-0.4 2,-0.3 -0.960 8.9 165.1-138.1 150.2 46.7 107.7 99.4 54 54 A Y E -H 191 0B 14 137,-1.9 137,-2.1 -2,-0.3 2,-0.3 -0.946 7.1-178.8-160.5 143.2 46.8 104.4 101.2 55 55 A N E >> -H 190 0B 45 5,-0.4 4,-2.3 -2,-0.3 5,-0.7 -0.989 30.6-130.5-147.6 141.3 47.7 100.9 100.5 56 56 A S T 45S+ 0 0 20 133,-2.6 134,-0.1 -2,-0.3 26,-0.0 0.516 101.2 65.4 -68.5 -10.6 47.5 97.8 102.7 57 57 A V T 45S+ 0 0 88 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.926 118.9 23.7 -78.1 -45.1 51.1 96.6 102.0 58 58 A D T 45S- 0 0 106 -3,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.758 90.6-150.2 -86.3 -26.0 52.6 99.7 103.7 59 59 A K T <5 + 0 0 79 -4,-2.3 20,-1.5 1,-0.2 2,-0.4 0.935 49.4 136.7 50.7 53.7 49.6 100.6 105.9 60 60 A R E < - J 0 78B 118 -5,-0.7 2,-0.6 18,-0.2 -5,-0.4 -0.989 45.6-153.9-129.9 117.3 50.5 104.2 105.8 61 61 A L E + J 0 77B 2 16,-2.6 16,-2.1 -2,-0.4 2,-0.3 -0.891 24.0 179.7 -95.4 118.0 47.8 106.9 105.2 62 62 A S E -IJ 53 76B 19 -9,-2.3 -9,-2.4 -2,-0.6 2,-0.3 -0.916 12.6-171.8-119.1 148.3 49.4 109.9 103.5 63 63 A A E -IJ 52 75B 0 12,-2.5 12,-2.0 -2,-0.3 2,-0.4 -0.996 4.4-168.2-140.3 142.4 48.0 113.3 102.4 64 64 A V E -IJ 51 74B 44 -13,-2.5 -13,-2.7 -2,-0.3 2,-0.4 -0.988 4.1-170.9-126.5 135.7 49.6 116.1 100.4 65 65 A V E +IJ 50 73B 1 8,-2.1 8,-2.4 -2,-0.4 2,-0.3 -0.996 17.5 166.5-130.9 122.1 47.9 119.6 100.1 66 66 A S E -I 49 0B 35 -17,-2.6 -17,-2.6 -2,-0.4 6,-0.1 -0.865 28.3-150.7-134.8 168.5 49.3 122.1 97.6 67 67 A Y > - 0 0 8 3,-0.3 3,-0.9 -2,-0.3 -19,-0.1 -0.952 54.4 -73.1-130.6 146.7 48.6 125.3 95.9 68 68 A P T 3 S- 0 0 91 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.219 113.2 -12.3 -48.4 123.2 50.1 126.2 92.5 69 69 A N T 3 S+ 0 0 172 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.882 110.4 106.2 35.9 68.3 53.7 127.0 92.9 70 70 A A S < S- 0 0 37 -3,-0.9 -3,-0.3 0, 0.0 -1,-0.2 -0.898 81.5 -82.4-152.6 157.5 53.7 127.2 96.7 71 71 A D - 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