==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 01-MAR-07 2UU8 . COMPND 2 MOLECULE: CONCANAVALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR H.U.AHMED,M.P.BLAKELEY,M.CIANCI,D.W.J.CRUICKSHANK, . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 65.0 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 . 24 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.2 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 0 134 0, 0.0 218,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 173.2 47.8 23.0 29.3 2 2 A D - 0 0 47 218,-0.1 2,-0.5 230,-0.1 213,-0.0 -0.323 360.0-127.5 -69.8 164.5 47.9 25.0 26.1 3 3 A T - 0 0 39 2,-0.0 213,-0.8 -2,-0.0 2,-0.4 -0.991 33.0-172.0-110.9 122.3 46.7 23.6 22.7 4 4 A I E +A 215 0A 4 -2,-0.5 26,-2.9 211,-0.2 2,-0.4 -0.963 22.8 178.2-125.6 131.9 49.4 24.1 20.1 5 5 A V E +AB 214 29A 3 209,-2.3 209,-2.6 -2,-0.4 2,-0.3 -0.991 28.9 166.9-117.2 130.8 49.5 23.6 16.3 6 6 A A E -AB 213 28A 2 22,-2.7 22,-3.1 -2,-0.4 2,-0.5 -0.993 41.5-140.9-145.7 156.2 52.8 24.6 14.8 7 7 A V E -AB 212 27A 3 205,-2.6 205,-2.0 -2,-0.3 2,-0.4 -0.985 34.9-154.4-109.7 116.2 55.1 24.5 11.8 8 8 A E E -AB 211 26A 0 18,-2.4 18,-2.1 -2,-0.5 2,-0.7 -0.807 22.7-161.7 -97.6 138.5 58.6 23.9 13.1 9 9 A L E -AB 210 25A 0 201,-3.1 201,-1.8 -2,-0.4 2,-0.7 -0.926 29.8-166.9-106.5 90.0 61.9 25.0 11.4 10 10 A D E -AB 209 24A 2 14,-2.6 14,-2.3 -2,-0.7 199,-0.3 -0.798 18.4-179.6 -97.5 109.7 63.9 22.6 13.5 11 11 A T + 0 0 4 197,-1.2 198,-0.2 -2,-0.7 -1,-0.1 0.605 64.7 55.6 -86.1 -13.1 67.6 23.2 13.2 12 12 A Y S S- 0 0 50 196,-0.8 2,-0.6 10,-0.1 -1,-0.1 -0.975 78.5-129.6-130.0 124.8 68.9 20.4 15.6 13 13 A P - 0 0 43 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.572 21.7-179.1 -80.0 114.1 68.1 16.7 15.3 14 14 A N > > - 0 0 12 -2,-0.6 5,-1.7 1,-0.1 3,-1.7 -0.856 5.8-175.1-105.5 87.5 66.9 15.2 18.5 15 15 A T G > 5S+ 0 0 94 -2,-0.8 3,-1.3 1,-0.3 -1,-0.1 0.762 73.6 64.2 -65.9 -25.1 66.5 11.6 17.4 16 16 A D G 3 5S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.596 103.1 49.1 -78.6 -2.8 64.9 10.3 20.6 17 17 A I G < 5S- 0 0 6 -3,-1.7 -1,-0.2 2,-0.1 17,-0.2 0.009 130.7 -91.9-118.3 26.7 61.9 12.5 20.2 18 18 A G T < 5S+ 0 0 54 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.371 75.0 147.6 89.3 -0.2 61.4 11.4 16.6 19 19 A D < - 0 0 9 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.403 51.0-117.6 -60.6 144.6 63.4 14.1 14.8 20 20 A P - 0 0 22 0, 0.0 2,-0.9 0, 0.0 -6,-0.1 -0.289 38.2 -94.0 -67.6 168.2 65.0 12.8 11.6 21 21 A S S S+ 0 0 97 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.093 103.3 49.2 -81.5 38.1 68.8 12.9 11.6 22 22 A Y S S- 0 0 77 -2,-0.9 -8,-0.1 -10,-0.1 -10,-0.1 -0.970 102.6 -71.0-161.6 159.3 69.0 16.2 9.9 23 23 A P + 0 0 39 0, 0.0 17,-2.4 0, 0.0 2,-0.3 -0.305 65.5 174.2 -54.4 146.4 67.5 19.8 10.1 24 24 A H E -BC 10 39A 0 -14,-2.3 -14,-2.6 15,-0.3 2,-0.4 -0.978 37.9-122.0-154.8 159.4 63.9 19.5 9.1 25 25 A I E +BC 9 38A 0 13,-2.4 13,-2.1 -2,-0.3 2,-0.3 -0.873 41.2 179.9-104.3 142.4 60.5 21.3 8.6 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.4 -2,-0.4 2,-0.5 -0.986 33.1-129.7-146.4 156.2 57.7 19.7 10.5 27 27 A I E -BC 7 36A 0 9,-2.4 8,-2.5 -2,-0.3 9,-0.9 -0.946 27.5-165.0-107.0 121.3 54.0 19.8 11.3 28 28 A D E -B 6 0A 0 -22,-3.1 -22,-2.7 -2,-0.5 2,-0.7 -0.940 9.0-174.7-115.1 117.6 53.3 19.6 15.1 29 29 A I E S-B 5 0A 14 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.913 77.8 -38.4-116.4 96.9 49.8 18.9 16.3 30 30 A K S S+ 0 0 126 -26,-2.9 2,-0.3 -2,-0.7 -25,-0.1 0.629 128.8 67.9 64.0 14.3 49.7 19.1 20.1 31 31 A S S S- 0 0 10 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.947 76.9-131.6-158.6 146.3 53.2 17.4 20.4 32 32 A V S S+ 0 0 0 205,-0.5 2,-1.4 203,-0.4 204,-0.1 0.634 91.5 91.9 -67.5 -19.8 56.8 18.2 19.6 33 33 A R S S- 0 0 101 204,-0.4 -4,-0.3 -4,-0.1 -15,-0.1 -0.689 89.1-130.5 -80.6 93.9 56.9 14.7 17.9 34 34 A S - 0 0 27 -2,-1.4 -6,-0.2 -17,-0.2 3,-0.1 -0.108 10.9-144.5 -54.1 141.8 56.0 16.0 14.5 35 35 A K S S+ 0 0 98 -8,-2.5 2,-0.3 1,-0.3 -7,-0.1 0.742 88.7 9.7 -72.7 -25.8 53.2 14.3 12.6 36 36 A K E S-C 27 0A 96 -9,-0.9 -9,-2.4 41,-0.1 2,-0.3 -0.967 70.4-177.0-153.3 140.4 55.1 14.9 9.3 37 37 A T E -C 26 0A 49 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.927 7.7-165.7-133.2 163.7 58.6 16.1 8.5 38 38 A A E -C 25 0A 22 -13,-2.1 -13,-2.4 -2,-0.3 37,-0.1 -0.988 37.8 -94.3-143.6 147.5 60.7 16.9 5.4 39 39 A K E -C 24 0A 99 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.358 37.6-160.9 -59.0 137.2 64.4 17.4 5.1 40 40 A W - 0 0 7 -17,-2.4 2,-2.0 -30,-0.1 26,-0.1 -0.977 14.5-148.3-128.3 115.8 65.4 21.1 5.3 41 41 A N - 0 0 113 -2,-0.5 -17,-0.1 30,-0.1 -2,-0.0 -0.534 29.1-162.0 -83.5 74.1 68.8 22.2 3.9 42 42 A M - 0 0 32 -2,-2.0 2,-0.6 1,-0.1 25,-0.0 -0.333 6.0-148.2 -60.6 137.7 69.2 25.0 6.5 43 43 A Q > - 0 0 75 3,-0.1 3,-1.9 156,-0.0 156,-0.3 -0.913 12.0-134.2-117.8 108.6 71.7 27.7 5.6 44 44 A N T 3 S+ 0 0 54 -2,-0.6 156,-0.2 1,-0.3 3,-0.1 -0.375 88.9 10.5 -60.2 119.0 73.5 29.3 8.6 45 45 A G T 3 S+ 0 0 22 154,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.417 101.1 112.1 94.9 0.0 73.6 33.1 8.2 46 46 A K < - 0 0 115 -3,-1.9 153,-0.6 153,-0.4 2,-0.5 -0.796 69.1-114.8-106.9 149.9 71.2 33.4 5.2 47 47 A V E -G 198 0B 59 -2,-0.3 2,-0.2 151,-0.2 151,-0.2 -0.693 40.1-179.1 -81.4 123.8 67.8 35.0 5.2 48 48 A G E -G 197 0B 0 149,-2.5 149,-2.2 -2,-0.5 2,-0.4 -0.723 17.4-137.9-117.3 172.3 65.0 32.5 4.4 49 49 A T E -GH 196 66B 34 17,-2.4 17,-2.3 -2,-0.2 2,-0.4 -0.999 9.5-163.3-134.4 135.0 61.3 32.6 4.0 50 50 A A E -GH 195 65B 2 145,-2.7 145,-2.2 -2,-0.4 2,-0.4 -0.939 2.6-165.4-117.3 142.4 58.6 30.3 5.3 51 51 A H E -GH 194 64B 79 13,-2.8 13,-2.3 -2,-0.4 2,-0.4 -0.983 2.7-170.8-126.9 136.3 55.0 30.1 4.1 52 52 A I E +GH 193 63B 1 141,-2.8 141,-2.6 -2,-0.4 2,-0.3 -0.995 8.8 179.1-129.0 133.8 52.1 28.3 5.9 53 53 A I E +GH 192 62B 93 9,-2.6 9,-2.5 -2,-0.4 2,-0.3 -0.978 7.2 159.8-138.5 150.4 48.7 27.7 4.4 54 54 A Y E -G 191 0B 14 137,-2.0 137,-2.4 -2,-0.3 2,-0.3 -0.960 10.5-174.5-160.7 145.9 45.4 26.1 5.4 55 55 A N E >> -G 190 0B 40 5,-0.4 4,-2.3 -2,-0.3 5,-0.6 -0.993 30.5-128.0-144.1 158.7 41.7 26.0 4.6 56 56 A S T 45S+ 0 0 17 133,-2.9 134,-0.1 -2,-0.3 26,-0.1 0.590 103.9 59.2 -79.9 -12.2 38.8 24.3 6.2 57 57 A V T 45S+ 0 0 88 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.928 118.2 28.6 -75.9 -52.0 37.5 22.8 2.9 58 58 A D T 45S- 0 0 107 2,-0.1 -2,-0.2 21,-0.0 3,-0.1 0.763 89.1-150.6 -82.3 -26.9 40.7 20.8 2.2 59 59 A K T <5 + 0 0 70 -4,-2.3 20,-1.6 1,-0.2 2,-0.4 0.936 48.5 133.3 55.9 51.8 41.8 20.3 5.9 60 60 A R E < - I 0 78B 123 -5,-0.6 2,-0.6 18,-0.3 -5,-0.4 -0.972 46.5-152.6-136.6 117.3 45.4 20.2 4.9 61 61 A L E + I 0 77B 3 16,-2.7 16,-2.2 -2,-0.4 2,-0.3 -0.834 26.4 178.3 -90.8 122.6 48.1 22.2 6.8 62 62 A S E -HI 53 76B 19 -9,-2.5 -9,-2.6 -2,-0.6 2,-0.3 -0.932 11.9-175.3-130.5 149.2 51.0 22.9 4.4 63 63 A A E -HI 52 75B 1 12,-2.6 12,-2.1 -2,-0.3 2,-0.4 -0.993 6.5-168.0-142.6 151.7 54.3 24.7 4.6 64 64 A V E -HI 51 74B 53 -13,-2.3 -13,-2.8 -2,-0.3 2,-0.4 -0.995 4.8-170.9-136.0 139.5 57.1 25.7 2.3 65 65 A V E +HI 50 73B 1 8,-2.5 8,-2.3 -2,-0.4 2,-0.3 -0.995 14.9 160.5-131.0 140.7 60.5 27.0 3.3 66 66 A S E -H 49 0B 33 -17,-2.3 -17,-2.4 -2,-0.4 6,-0.1 -0.953 26.4-146.8-149.3 164.9 63.2 28.4 0.9 67 67 A Y > - 0 0 11 4,-0.3 3,-1.8 -2,-0.3 -19,-0.2 -0.957 44.7 -86.9-121.4 157.6 66.3 30.5 0.5 68 68 A P T 3 S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.285 116.0 16.2 -54.8 143.1 67.3 32.7 -2.5 69 69 A N T 3 S+ 0 0 178 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.494 114.5 94.2 69.7 7.4 69.3 30.6 -5.0 70 70 A A S < S- 0 0 40 -3,-1.8 -3,-0.2 1,-0.0 -1,-0.2 -0.894 77.4-103.6-131.0 155.9 68.1 27.3 -3.4 71 71 A D - 0 0 156 -2,-0.3 -4,-0.3 1,-0.1 2,-0.2 -0.255 42.1-114.6 -65.0 159.6 65.4 24.7 -3.8 72 72 A S - 0 0 79 -6,-0.1 2,-0.3 -32,-0.1 -6,-0.2 -0.505 13.4-141.0 -92.6 165.4 62.5 24.7 -1.4 73 73 A A E -I 65 0B 13 -8,-2.3 -8,-2.5 -2,-0.2 2,-0.3 -0.960 22.5-172.5-120.6 145.4 61.4 22.1 1.2 74 74 A T E -I 64 0B 80 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.983 11.6-177.4-141.2 149.5 57.7 21.4 1.8 75 75 A V E -I 63 0B 7 -12,-2.1 -12,-2.6 -2,-0.3 2,-0.3 -0.993 4.6-175.2-144.3 146.6 55.6 19.4 4.3 76 76 A S E -I 62 0B 21 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.990 3.7-173.7-141.3 149.6 51.9 18.7 4.5 77 77 A Y E -I 61 0B 78 -16,-2.2 -16,-2.7 -2,-0.3 2,-0.6 -0.980 26.0-127.1-146.5 132.7 49.6 17.0 6.9 78 78 A D E +I 60 0B 103 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.678 50.2 143.8 -79.2 116.1 45.8 16.2 6.7 79 79 A V - 0 0 18 -20,-1.6 2,-1.0 -2,-0.6 -2,-0.1 -0.962 50.1-134.7-156.5 132.1 44.2 17.6 9.8 80 80 A D > - 0 0 40 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 -0.822 19.7-163.8 -87.5 101.4 40.9 19.2 10.6 81 81 A L G >> S+ 0 0 2 -2,-1.0 4,-2.8 1,-0.3 3,-1.5 0.763 83.7 69.6 -63.9 -20.1 42.0 22.1 12.7 82 82 A D G 34 S+ 0 0 43 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.673 98.9 51.6 -68.3 -15.3 38.5 22.7 14.0 83 83 A N G <4 S+ 0 0 132 -3,-2.2 -1,-0.3 1,-0.0 -2,-0.2 0.406 119.1 34.6 -93.9 -1.7 38.9 19.4 15.8 84 84 A V T <4 S+ 0 0 26 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.716 113.5 48.4-114.9 -48.7 42.2 20.5 17.4 85 85 A L S < S- 0 0 11 -4,-2.8 -1,-0.2 1,-0.1 4,-0.1 -0.651 81.1-108.6-102.6 154.4 42.0 24.2 18.2 86 86 A P - 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