==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 08-JAN-96 1VAL . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR P.N.KANELLOPOULOS,P.A.TUCKER,S.J.HAMODRAKAS . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 69.3 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 . 405 42.7 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 . 10 1.1 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 . 121 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 7.5 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 . 7 0.7 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 . 7 8 1 4 13 7 10 5 3 0 0 3 1 0 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 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 0 107 0, 0.0 2,-0.2 0, 0.0 232,-0.1 0.000 360.0 360.0 360.0 -81.5 33.1 21.2 44.9 2 2 A D - 0 0 68 214,-0.0 2,-0.3 0, 0.0 217,-0.0 -0.772 360.0 -55.4-146.4-174.1 30.4 23.8 44.5 3 3 A T + 0 0 33 -2,-0.2 213,-0.9 26,-0.0 2,-0.3 -0.584 53.1 169.5 -82.4 132.8 26.8 23.8 43.3 4 4 A I E +A 215 0A 3 -2,-0.3 26,-2.6 211,-0.2 2,-0.4 -0.999 13.4 179.6-141.5 135.7 25.9 22.4 39.8 5 5 A V E +AB 214 29A 2 209,-1.6 209,-2.1 -2,-0.3 2,-0.3 -0.993 25.0 162.2-133.1 128.9 22.6 21.6 38.1 6 6 A A E -AB 213 28A 2 22,-2.6 22,-3.5 -2,-0.4 2,-0.5 -0.996 42.5-135.5-154.8 159.8 22.7 20.3 34.6 7 7 A V E -AB 212 27A 4 205,-2.1 205,-2.1 -2,-0.3 2,-0.4 -0.971 36.5-155.1-112.4 120.3 21.1 18.5 31.6 8 8 A E E -AB 211 26A 1 18,-2.5 18,-1.2 -2,-0.5 2,-0.8 -0.853 22.6-156.2-108.9 140.4 23.6 16.1 30.1 9 9 A L E -AB 210 25A 1 201,-3.2 201,-1.0 -2,-0.4 2,-0.6 -0.751 28.3-169.1-107.6 74.8 23.8 14.6 26.6 10 10 A D E +AB 209 24A 5 14,-1.3 14,-2.1 -2,-0.8 199,-0.3 -0.597 17.5 176.3 -72.7 115.5 25.7 11.5 27.6 11 11 A T + 0 0 1 197,-2.3 198,-0.2 -2,-0.6 -1,-0.2 0.604 65.5 57.9 -96.6 -11.6 27.1 9.7 24.5 12 12 A Y S S- 0 0 62 196,-1.0 2,-0.5 10,-0.1 -1,-0.2 -0.952 80.0-130.9-128.6 118.7 29.0 7.0 26.4 13 13 A P - 0 0 25 0, 0.0 2,-0.8 0, 0.0 8,-0.1 -0.503 18.5-173.2 -68.7 109.6 27.4 4.6 28.9 14 14 A N >>> - 0 0 26 -2,-0.5 5,-2.2 1,-0.2 3,-1.4 -0.773 5.5-177.8-104.1 84.0 29.4 4.4 32.2 15 15 A T G >45S+ 0 0 95 -2,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.829 71.9 65.0 -52.2 -44.9 27.6 1.6 34.0 16 16 A D G 345S+ 0 0 136 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.764 109.8 39.3 -53.6 -29.3 29.6 1.6 37.2 17 17 A I G <45S- 0 0 5 -3,-1.4 -1,-0.3 2,-0.0 -2,-0.2 0.503 134.5 -79.9 -99.8 -7.5 28.3 5.1 38.0 18 18 A G T <<5S+ 0 0 54 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.361 75.9 146.9 127.7 -4.1 24.7 4.6 36.8 19 19 A D < - 0 0 12 -5,-2.2 -1,-0.3 -7,-0.1 -2,-0.0 -0.451 45.3-128.3 -69.6 128.4 24.7 4.9 33.0 20 20 A P - 0 0 26 0, 0.0 2,-1.5 0, 0.0 4,-0.1 -0.304 38.7 -90.2 -67.0 162.6 22.2 2.7 31.2 21 21 A S S S+ 0 0 107 -8,-0.1 -2,-0.1 -7,-0.1 -6,-0.0 0.109 105.3 56.5 -66.7 31.2 23.6 0.5 28.4 22 22 A Y S S- 0 0 90 -2,-1.5 2,-0.2 -10,-0.1 -10,-0.1 -0.981 96.9 -82.0-157.6 159.4 22.9 3.3 25.8 23 23 A P + 0 0 32 0, 0.0 17,-2.0 0, 0.0 2,-0.3 -0.477 64.6 173.8 -63.2 135.5 23.6 7.0 24.9 24 24 A H E -BC 10 39A 1 -14,-2.1 -14,-1.3 15,-0.2 2,-0.3 -0.827 37.8-120.4-143.8 178.4 21.2 9.1 27.0 25 25 A I E +BC 9 38A 0 13,-1.7 13,-1.2 -2,-0.3 2,-0.3 -0.817 38.1 171.9-114.3 154.1 19.8 12.4 28.3 26 26 A G E -BC 8 37A 0 -18,-1.2 -18,-2.5 -2,-0.3 2,-0.5 -0.976 35.6-126.2-169.0 151.0 19.6 13.2 32.0 27 27 A I E -BC 7 36A 0 9,-1.4 8,-2.1 -2,-0.3 9,-0.8 -0.882 29.0-164.1 -98.7 129.6 19.0 15.7 34.7 28 28 A D E -B 6 0A 0 -22,-3.5 -22,-2.6 -2,-0.5 2,-0.5 -0.971 8.2-175.9-117.7 126.7 21.9 16.1 37.2 29 29 A I E S-B 5 0A 19 -2,-0.5 -24,-0.2 2,-0.3 4,-0.1 -0.944 74.1 -34.9-128.0 107.2 21.4 17.8 40.5 30 30 A K S S+ 0 0 116 -26,-2.6 2,-0.3 -2,-0.5 -25,-0.1 0.598 129.9 56.5 59.8 13.8 24.6 18.2 42.7 31 31 A S S S- 0 0 22 -27,-0.2 -2,-0.3 202,-0.0 205,-0.1 -0.972 80.5-122.4-167.3 156.9 25.9 14.9 41.3 32 32 A V S S+ 0 0 4 203,-0.4 2,-0.9 -2,-0.3 204,-0.1 0.249 88.9 93.8 -88.2 10.3 26.8 13.0 38.2 33 33 A R S S- 0 0 101 -4,-0.1 -4,-0.2 -15,-0.0 -1,-0.1 -0.844 84.6-128.4-104.5 89.7 24.3 10.2 39.1 34 34 A S - 0 0 32 -2,-0.9 -6,-0.2 1,-0.1 3,-0.1 0.006 13.6-150.4 -42.9 138.5 21.2 11.4 37.1 35 35 A K S S+ 0 0 82 -8,-2.1 2,-0.3 1,-0.2 -1,-0.1 0.700 87.5 18.6 -81.0 -25.2 17.8 11.7 38.8 36 36 A K E -C 27 0A 94 -9,-0.8 -9,-1.4 41,-0.1 2,-0.3 -0.993 69.6-171.8-148.2 146.6 16.1 11.0 35.5 37 37 A T E -C 26 0A 55 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.886 6.2-174.0-136.9 163.6 17.2 9.4 32.2 38 38 A A E -C 25 0A 21 -13,-1.2 -13,-1.7 -2,-0.3 35,-0.1 -0.863 33.0-109.3-163.3 123.1 15.9 8.8 28.6 39 39 A K E -C 24 0A 126 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.155 33.0-160.9 -50.5 147.7 17.3 6.8 25.7 40 40 A W - 0 0 8 -17,-2.0 2,-2.7 -30,-0.1 -1,-0.1 -0.929 20.0-137.8-142.0 110.8 18.6 9.0 22.9 41 41 A N - 0 0 94 -2,-0.4 30,-0.1 -19,-0.1 -17,-0.1 -0.417 33.6-149.7 -67.5 75.5 19.1 7.8 19.3 42 42 A M - 0 0 32 -2,-2.7 2,-0.7 -19,-0.1 -1,-0.0 -0.203 3.7-149.3 -50.4 129.3 22.4 9.7 19.0 43 43 A Q > - 0 0 46 3,-0.1 3,-0.7 157,-0.0 156,-0.4 -0.914 9.4-148.0-108.8 105.0 23.0 10.7 15.4 44 44 A N T 3 S+ 0 0 75 -2,-0.7 156,-0.2 1,-0.2 3,-0.1 -0.587 82.6 12.7 -73.7 127.5 26.7 10.8 14.8 45 45 A G T 3 S+ 0 0 31 154,-2.0 -1,-0.2 -2,-0.4 155,-0.1 0.069 103.3 112.1 96.8 -24.0 27.6 13.4 12.2 46 46 A K S < S- 0 0 119 -3,-0.7 153,-0.8 153,-0.3 2,-0.7 -0.410 72.3-114.9 -83.6 158.7 24.3 15.1 12.3 47 47 A V E -G 198 0B 47 151,-0.2 2,-0.2 -2,-0.1 151,-0.2 -0.846 41.4-171.2 -94.6 112.7 23.4 18.6 13.6 48 48 A G E -G 197 0B 0 149,-1.9 149,-2.8 -2,-0.7 2,-0.3 -0.690 11.9-144.6-107.7 162.9 21.2 18.2 16.7 49 49 A T E -GH 196 66B 8 17,-2.2 17,-2.4 147,-0.2 2,-0.3 -0.945 7.8-164.4-128.1 146.5 19.2 20.7 18.8 50 50 A A E -GH 195 65B 1 145,-1.8 145,-1.3 -2,-0.3 2,-0.4 -0.955 2.6-165.1-130.8 145.7 18.3 20.8 22.5 51 51 A H E -GH 194 64B 15 13,-2.3 13,-2.0 -2,-0.3 2,-0.4 -1.000 5.0-171.2-130.6 128.0 15.7 22.8 24.5 52 52 A I E +GH 193 63B 2 141,-2.2 141,-1.4 -2,-0.4 2,-0.3 -0.981 10.7 179.2-120.8 133.1 15.8 23.2 28.3 53 53 A I E +GH 192 62B 28 9,-2.8 9,-2.4 -2,-0.4 2,-0.3 -0.964 8.5 164.8-137.3 151.3 12.9 24.8 30.2 54 54 A Y E +G 191 0B 11 137,-1.5 137,-1.1 -2,-0.3 2,-0.3 -0.980 4.3 173.7-158.5 155.1 12.0 25.6 33.8 55 55 A N E >> -G 190 0B 14 -2,-0.3 4,-1.5 5,-0.2 5,-0.5 -0.899 34.5-129.9-165.9 138.9 9.5 27.7 35.8 56 56 A S T 45S+ 0 0 21 133,-2.2 134,-0.1 -2,-0.3 132,-0.0 0.479 95.6 75.2 -72.3 -3.1 8.6 28.1 39.5 57 57 A V T 45S+ 0 0 16 132,-0.2 -1,-0.1 1,-0.1 495,-0.1 0.969 119.0 8.2 -71.1 -80.4 4.9 27.6 38.9 58 58 A D T 45S- 0 0 26 478,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.815 102.8-140.9 -69.1 -30.2 4.6 23.9 38.2 59 59 A K T <5 + 0 0 57 -4,-1.5 20,-1.5 1,-0.2 2,-0.4 0.879 47.4 136.2 74.3 46.9 8.3 23.7 39.2 60 60 A R E < - I 0 78B 36 -5,-0.5 2,-0.5 18,-0.2 18,-0.2 -0.980 44.7-145.6-131.5 134.8 9.8 21.2 36.8 61 61 A L E + I 0 77B 4 16,-2.4 16,-1.6 -2,-0.4 2,-0.3 -0.825 31.2 172.1 -93.2 125.7 13.0 21.2 34.8 62 62 A S E -HI 53 76B 0 -9,-2.4 -9,-2.8 -2,-0.5 2,-0.3 -0.989 16.2-165.7-140.3 151.8 12.7 19.5 31.4 63 63 A A E -HI 52 75B 1 12,-2.7 12,-2.2 -2,-0.3 2,-0.3 -0.934 3.3-165.3-134.6 156.1 14.7 19.0 28.3 64 64 A V E -HI 51 74B 3 -13,-2.0 -13,-2.3 -2,-0.3 2,-0.4 -0.994 3.6-168.4-143.4 130.7 14.1 17.9 24.7 65 65 A V E +HI 50 73B 2 8,-2.4 8,-2.3 -2,-0.3 2,-0.3 -0.975 16.9 167.8-121.7 135.9 16.7 16.8 22.1 66 66 A S E -HI 49 72B 2 -17,-2.4 -17,-2.2 -2,-0.4 6,-0.2 -0.907 26.3-150.5-144.0 170.0 15.9 16.3 18.4 67 67 A Y > - 0 0 9 4,-1.0 3,-0.8 -2,-0.3 -19,-0.1 -0.978 45.8 -88.2-138.9 142.1 17.2 15.8 14.9 68 68 A P T 3 S+ 0 0 47 0, 0.0 3,-0.1 0, 0.0 527,-0.1 -0.302 110.6 2.7 -55.8 132.4 15.5 17.0 11.6 69 69 A N T 3 S+ 0 0 150 1,-0.2 2,-0.3 592,-0.1 592,-0.0 0.942 119.7 85.2 52.9 56.1 13.1 14.3 10.3 70 70 A A S < S- 0 0 42 -3,-0.8 -1,-0.2 1,-0.2 -3,-0.0 -0.880 83.2 -67.7-161.4-174.3 13.8 12.0 13.2 71 71 A D - 0 0 142 -2,-0.3 -4,-1.0 -3,-0.1 2,-0.3 0.145 40.1-129.3 -74.3-165.1 12.5 11.3 16.8 72 72 A S E -I 66 0B 53 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.923 7.4-142.1-155.0 124.3 12.9 13.4 19.9 73 73 A A E -I 65 0B 13 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.3 -0.666 23.6-174.0 -87.0 146.1 14.2 12.5 23.3 74 74 A T E +I 64 0B 64 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.994 11.7 170.8-142.6 146.6 12.5 14.1 26.4 75 75 A V E -I 63 0B 6 -12,-2.2 -12,-2.7 -2,-0.3 2,-0.3 -0.939 4.2-178.9-159.4 130.4 13.1 14.1 30.1 76 76 A S E -I 62 0B 17 -2,-0.3 2,-0.3 -14,-0.3 -14,-0.2 -0.860 1.4-175.2-127.0 163.7 11.6 16.1 33.0 77 77 A Y E -I 61 0B 74 -16,-1.6 -16,-2.4 -2,-0.3 2,-0.6 -0.968 30.0-114.9-160.5 142.4 12.1 16.2 36.8 78 78 A D E +I 60 0B 103 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.712 49.5 153.1 -82.2 118.4 10.6 18.0 39.8 79 79 A V - 0 0 10 -20,-1.5 2,-1.1 -2,-0.6 3,-0.1 -0.922 38.3-152.4-153.9 122.1 13.1 20.3 41.3 80 80 A D > - 0 0 38 -2,-0.3 3,-2.8 1,-0.2 4,-0.3 -0.793 11.6-164.8 -93.9 95.2 12.7 23.5 43.3 81 81 A L G >> S+ 0 0 4 -2,-1.1 4,-3.0 1,-0.3 3,-2.0 0.764 82.4 76.4 -51.6 -26.0 15.9 25.4 42.4 82 82 A D G 34 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.803 101.8 40.3 -56.3 -28.3 15.3 27.6 45.4 83 83 A N G <4 S+ 0 0 132 -3,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.374 123.6 39.4-100.5 1.2 16.5 24.7 47.5 84 84 A V T <4 S+ 0 0 23 -3,-2.0 -2,-0.2 -4,-0.3 -3,-0.2 0.573 107.5 53.1-125.2 -16.3 19.3 23.7 45.2 85 85 A L S < S- 0 0 12 -4,-3.0 -1,-0.1 -5,-0.1 2,-0.1 -0.903 76.2-107.9-132.1 153.3 21.0 26.9 43.9 86 86 A P - 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