==== 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 SUGAR BINDING PROTEIN 02-MAY-07 2YZ4 . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR H.U.AHMED,M.P.BLAKELEY,M.CIANCI,J.A.HUBBARD,J.R.HELLIWELL . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 65.4 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 . 100 42.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.6 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 2 1 1 3 2 2 1 1 0 0 1 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 0 132 0, 0.0 232,-0.0 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 150.7 48.5 23.2 29.5 2 2 A D - 0 0 49 218,-0.2 2,-0.5 230,-0.1 213,-0.0 -0.240 360.0-120.9 -60.9 167.5 48.2 25.3 26.3 3 3 A T - 0 0 43 2,-0.0 213,-0.9 -2,-0.0 2,-0.4 -0.982 36.3-170.4-110.6 124.2 47.0 23.9 23.0 4 4 A I E +A 215 0A 4 -2,-0.5 26,-2.8 211,-0.2 2,-0.4 -0.960 23.7 177.4-125.5 132.4 49.6 24.4 20.3 5 5 A V E +AB 214 29A 3 209,-2.2 209,-2.6 -2,-0.4 2,-0.3 -0.991 28.9 166.2-117.9 130.1 49.7 24.0 16.5 6 6 A A E -AB 213 28A 2 22,-2.5 22,-3.1 -2,-0.4 2,-0.5 -0.995 41.7-141.1-146.1 156.2 53.0 24.9 15.0 7 7 A V E -AB 212 27A 8 205,-2.6 205,-2.1 -2,-0.3 2,-0.4 -0.987 35.6-155.7-109.4 117.2 55.3 24.8 11.9 8 8 A E E -AB 211 26A 0 18,-2.4 18,-2.1 -2,-0.5 2,-0.7 -0.818 23.4-160.4-100.6 139.6 58.9 24.3 13.2 9 9 A L E -AB 210 25A 2 201,-3.1 201,-1.7 -2,-0.4 2,-0.7 -0.925 29.4-166.3-107.1 91.6 62.2 25.3 11.5 10 10 A D E -AB 209 24A 3 14,-2.6 14,-2.2 -2,-0.7 199,-0.2 -0.792 18.0-179.9 -98.0 109.0 64.2 22.8 13.6 11 11 A T + 0 0 5 197,-1.2 198,-0.2 -2,-0.7 -1,-0.1 0.615 64.2 56.5 -85.6 -12.2 68.0 23.5 13.4 12 12 A Y S S- 0 0 47 196,-0.8 2,-0.7 10,-0.1 -1,-0.1 -0.970 78.3-129.6-129.7 126.2 69.2 20.7 15.8 13 13 A P - 0 0 45 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.544 21.9-179.4 -80.8 112.5 68.5 17.0 15.5 14 14 A N > > - 0 0 14 -2,-0.7 5,-1.8 1,-0.2 3,-1.6 -0.839 6.0-175.4-105.1 90.0 67.3 15.5 18.8 15 15 A T G > 5S+ 0 0 97 -2,-0.8 3,-1.5 1,-0.3 -1,-0.2 0.797 73.3 65.2 -70.2 -26.8 66.9 11.9 17.6 16 16 A D G 3 5S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.635 103.1 48.2 -71.5 -7.3 65.3 10.6 20.9 17 17 A I G < 5S- 0 0 4 -3,-1.6 -1,-0.2 15,-0.1 -2,-0.2 0.026 130.6 -92.5-114.3 21.3 62.3 12.8 20.4 18 18 A G T < 5S+ 0 0 53 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.424 74.2 148.6 91.0 2.7 61.8 11.6 16.8 19 19 A D < - 0 0 10 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.0 -0.416 50.2-116.6 -62.6 145.2 63.8 14.3 15.0 20 20 A P - 0 0 22 0, 0.0 2,-1.0 0, 0.0 -6,-0.1 -0.303 37.5 -95.7 -66.3 167.1 65.5 13.1 11.7 21 21 A S S S+ 0 0 97 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.109 102.6 48.6 -82.2 38.2 69.3 13.2 11.8 22 22 A Y S S- 0 0 73 -2,-1.0 -10,-0.1 -10,-0.1 19,-0.1 -0.964 102.8 -70.0-161.6 160.2 69.4 16.6 10.0 23 23 A P + 0 0 40 0, 0.0 17,-2.3 0, 0.0 2,-0.3 -0.313 65.1 173.6 -55.1 147.2 67.9 20.1 10.2 24 24 A H E -BC 10 39A 0 -14,-2.2 -14,-2.6 15,-0.3 2,-0.4 -0.975 37.6-121.9-157.5 157.8 64.2 19.8 9.1 25 25 A I E +BC 9 38A 2 13,-2.4 13,-2.1 -2,-0.3 2,-0.3 -0.868 40.7 179.6-103.4 141.5 60.8 21.6 8.8 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.4 -2,-0.4 2,-0.5 -0.989 32.1-129.3-144.4 157.6 58.0 19.9 10.7 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.4 -2,-0.3 9,-0.9 -0.944 26.5-163.3-108.0 121.2 54.2 20.1 11.5 28 28 A D E -B 6 0A 0 -22,-3.1 -22,-2.5 -2,-0.5 2,-0.6 -0.932 10.1-176.6-112.6 117.7 53.6 19.9 15.2 29 29 A I E S-B 5 0A 12 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.904 78.3 -38.3-118.4 96.0 50.0 19.1 16.4 30 30 A K S S+ 0 0 128 -26,-2.8 2,-0.3 -2,-0.6 -25,-0.1 0.625 128.3 68.0 65.9 15.1 49.9 19.3 20.3 31 31 A S S S- 0 0 9 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.961 77.0-131.0-159.3 146.8 53.4 17.7 20.6 32 32 A V S S+ 0 0 1 205,-0.5 2,-1.2 203,-0.4 204,-0.1 0.625 92.6 90.7 -69.3 -17.5 57.0 18.5 19.8 33 33 A R S S- 0 0 129 204,-0.4 -4,-0.3 -4,-0.1 -15,-0.1 -0.715 89.6-129.6 -81.5 93.1 57.2 15.1 18.1 34 34 A S - 0 0 29 -2,-1.2 -6,-0.2 1,-0.1 3,-0.1 -0.116 10.5-143.7 -54.4 144.8 56.2 16.3 14.6 35 35 A K S S+ 0 0 100 -8,-2.4 2,-0.3 1,-0.2 -7,-0.1 0.743 89.3 9.6 -73.4 -27.4 53.4 14.6 12.8 36 36 A K E S-C 27 0A 106 -9,-0.9 -9,-2.3 41,-0.1 2,-0.3 -0.967 70.6-175.6-154.7 139.6 55.3 15.1 9.5 37 37 A T E -C 26 0A 50 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.935 7.2-165.9-131.9 161.9 58.9 16.3 8.6 38 38 A A E -C 25 0A 24 -13,-2.1 -13,-2.4 -2,-0.3 2,-0.1 -0.984 37.0 -95.6-143.3 147.3 61.0 17.2 5.6 39 39 A K E -C 24 0A 97 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.357 37.4-160.7 -60.5 138.2 64.7 17.7 5.2 40 40 A W - 0 0 7 -17,-2.3 2,-2.0 -30,-0.1 26,-0.1 -0.976 14.7-148.3-128.1 116.4 65.8 21.4 5.4 41 41 A N - 0 0 129 -2,-0.5 -17,-0.1 30,-0.1 -2,-0.0 -0.505 29.1-163.2 -83.4 74.2 69.1 22.5 4.0 42 42 A M - 0 0 33 -2,-2.0 2,-0.6 1,-0.1 -2,-0.0 -0.315 6.9-147.7 -63.7 140.1 69.5 25.3 6.5 43 43 A Q > - 0 0 87 3,-0.1 3,-1.8 156,-0.0 156,-0.3 -0.924 12.8-133.1-117.7 109.0 72.1 28.0 5.7 44 44 A N T 3 S+ 0 0 60 -2,-0.6 156,-0.2 1,-0.3 3,-0.1 -0.352 89.1 9.3 -61.7 122.5 73.9 29.7 8.6 45 45 A G T 3 S+ 0 0 26 154,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.458 100.7 112.4 89.9 2.7 74.0 33.4 8.2 46 46 A K < - 0 0 113 -3,-1.8 153,-0.6 153,-0.4 2,-0.5 -0.793 69.7-113.9-109.3 148.0 71.6 33.8 5.2 47 47 A V E -G 198 0B 57 -2,-0.3 2,-0.2 151,-0.2 151,-0.2 -0.711 40.2-177.0 -79.2 123.7 68.1 35.4 5.2 48 48 A G E -G 197 0B 0 149,-2.4 149,-2.3 -2,-0.5 2,-0.4 -0.719 16.7-137.9-115.9 171.1 65.4 32.8 4.5 49 49 A T E -GH 196 66B 35 17,-2.3 17,-2.1 -2,-0.2 2,-0.4 -0.999 10.2-164.5-132.8 134.2 61.6 32.9 4.1 50 50 A A E -GH 195 65B 2 145,-2.7 145,-2.2 -2,-0.4 2,-0.4 -0.938 2.3-165.7-116.7 143.5 58.9 30.6 5.4 51 51 A H E -GH 194 64B 80 13,-2.7 13,-2.2 -2,-0.4 2,-0.4 -0.976 2.2-170.4-127.3 136.7 55.2 30.4 4.2 52 52 A I E +GH 193 63B 1 141,-2.7 141,-2.4 -2,-0.4 2,-0.3 -0.992 9.0 178.8-130.3 134.0 52.4 28.6 6.0 53 53 A I E +GH 192 62B 96 9,-2.5 9,-2.5 -2,-0.4 2,-0.3 -0.981 7.2 159.2-139.2 148.4 48.9 28.0 4.5 54 54 A Y E -G 191 0B 12 137,-1.9 137,-2.4 -2,-0.3 2,-0.3 -0.947 10.6-174.4-160.6 147.8 45.6 26.4 5.6 55 55 A N E >> -G 190 0B 56 5,-0.3 4,-2.2 -2,-0.3 5,-0.5 -0.991 30.5-127.6-145.3 157.3 41.9 26.4 4.7 56 56 A S T 45S+ 0 0 17 133,-2.8 134,-0.1 -2,-0.3 26,-0.1 0.572 104.2 59.6 -78.5 -12.7 38.9 24.7 6.3 57 57 A V T 45S+ 0 0 85 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.898 118.1 28.0 -73.8 -53.1 37.6 23.1 3.1 58 58 A D T 45S- 0 0 104 2,-0.1 -2,-0.2 20,-0.0 3,-0.1 0.756 88.6-150.7 -83.6 -26.8 40.8 21.1 2.4 59 59 A K T <5 + 0 0 78 -4,-2.2 20,-1.7 1,-0.2 2,-0.4 0.917 48.6 132.7 56.4 52.9 41.9 20.7 6.0 60 60 A R E < - I 0 78B 165 -5,-0.5 2,-0.6 18,-0.3 -5,-0.3 -0.974 46.5-152.3-137.9 117.5 45.6 20.5 5.1 61 61 A L E + I 0 77B 4 16,-2.6 16,-2.0 -2,-0.4 2,-0.3 -0.823 26.7 177.8 -90.8 122.4 48.3 22.5 6.9 62 62 A S E -HI 53 76B 19 -9,-2.5 -9,-2.5 -2,-0.6 2,-0.3 -0.925 12.3-175.1-129.8 151.1 51.2 23.2 4.5 63 63 A A E -HI 52 75B 2 12,-2.4 12,-2.1 -2,-0.3 2,-0.3 -0.991 6.8-167.7-145.4 151.6 54.5 25.0 4.7 64 64 A V E -HI 51 74B 54 -13,-2.2 -13,-2.7 -2,-0.3 2,-0.4 -0.992 5.5-171.4-137.4 138.1 57.4 26.0 2.4 65 65 A V E +HI 50 73B 1 8,-2.4 8,-2.3 -2,-0.3 2,-0.3 -0.995 14.9 159.7-131.5 143.1 60.8 27.4 3.3 66 66 A S E -H 49 0B 36 -17,-2.1 -17,-2.3 -2,-0.4 6,-0.1 -0.958 27.0-145.6-151.5 165.4 63.5 28.7 0.9 67 67 A Y > - 0 0 11 4,-0.3 3,-1.8 -2,-0.3 -19,-0.2 -0.950 44.9 -86.3-122.4 158.0 66.6 30.9 0.5 68 68 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.293 116.2 15.9 -55.2 144.0 67.6 33.0 -2.5 69 69 A N T 3 S+ 0 0 202 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.486 114.3 96.0 69.2 7.9 69.5 30.9 -5.1 70 70 A A S < S- 0 0 41 -3,-1.8 -1,-0.2 1,-0.0 -3,-0.2 -0.880 76.8-105.4-129.9 155.5 68.4 27.6 -3.4 71 71 A D - 0 0 149 -2,-0.3 -4,-0.3 1,-0.1 2,-0.2 -0.265 42.2-113.9 -65.1 159.9 65.6 25.0 -3.8 72 72 A S - 0 0 80 -6,-0.1 2,-0.4 -32,-0.1 -6,-0.2 -0.493 13.5-141.5 -91.9 166.0 62.8 24.9 -1.4 73 73 A A E -I 65 0B 13 -8,-2.3 -8,-2.4 -2,-0.2 2,-0.3 -0.967 22.7-173.5-121.1 146.1 61.7 22.4 1.3 74 74 A T E -I 64 0B 82 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.983 11.6-177.4-142.1 151.7 58.0 21.7 1.9 75 75 A V E -I 63 0B 8 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.3 -0.995 4.3-175.6-145.3 147.1 55.8 19.7 4.4 76 76 A S E -I 62 0B 31 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.988 3.9-173.4-141.0 152.7 52.1 19.0 4.6 77 77 A Y E -I 61 0B 80 -16,-2.0 -16,-2.6 -2,-0.3 2,-0.6 -0.973 26.0-126.6-149.7 131.2 49.8 17.3 7.1 78 78 A D E +I 60 0B 90 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.666 50.1 144.3 -76.8 117.8 46.0 16.5 6.8 79 79 A V - 0 0 19 -20,-1.7 2,-1.0 -2,-0.6 3,-0.1 -0.965 49.9-133.7-159.5 131.4 44.4 17.9 10.0 80 80 A D > - 0 0 35 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 -0.822 20.2-164.4 -86.9 99.5 41.0 19.5 10.8 81 81 A L G >> S+ 0 0 2 -2,-1.0 4,-2.9 1,-0.3 3,-1.4 0.745 83.0 68.6 -62.0 -22.1 42.2 22.5 12.9 82 82 A D G 34 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.683 99.7 51.4 -69.9 -14.0 38.6 23.0 14.2 83 83 A N G <4 S+ 0 0 153 -3,-2.2 -1,-0.3 3,-0.0 -2,-0.2 0.360 119.1 35.2 -94.1 -1.8 39.0 19.8 16.1 84 84 A V T <4 S+ 0 0 26 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.705 113.7 47.2-112.1 -50.5 42.4 20.9 17.6 85 85 A L S < S- 0 0 11 -4,-2.9 -1,-0.2 1,-0.1 4,-0.1 -0.627 81.2-108.2-101.8 154.1 42.2 24.6 18.3 86 86 A P - 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