==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER AGGLUTININ 28-JAN-97 1NLS . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR A.M.DEACON,T.GLEICHMANN,J.R.HELLIWELL,A.J.KALB(GILBOA) . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10810.0 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 0.000 360.0 360.0 360.0 150.6 48.7 22.9 29.3 2 2 A D - 0 0 45 218,-0.2 2,-0.5 230,-0.1 213,-0.0 -0.240 360.0-120.9 -60.9 167.5 48.3 25.0 26.2 3 3 A T - 0 0 43 2,-0.0 213,-0.9 -2,-0.0 2,-0.4 -0.982 36.3-170.4-110.7 124.2 47.2 23.6 22.9 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 49.8 24.1 20.1 5 5 A V E +AB 214 29A 3 209,-2.2 209,-2.6 -2,-0.4 2,-0.3 -0.991 28.9 166.2-118.0 130.2 49.9 23.7 16.4 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 53.2 24.7 14.9 7 7 A V E -AB 212 27A 3 205,-2.6 205,-2.1 -2,-0.3 2,-0.4 -0.987 35.6-155.7-109.4 117.2 55.5 24.6 11.8 8 8 A E E -AB 211 26A 0 18,-2.4 18,-2.1 -2,-0.5 2,-0.7 -0.818 23.3-160.4-100.6 139.6 59.1 24.1 13.1 9 9 A L E -AB 210 25A 0 201,-3.1 201,-1.7 -2,-0.4 2,-0.7 -0.925 29.4-166.3-107.1 91.6 62.4 25.0 11.4 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 -98.1 109.0 64.4 22.6 13.6 11 11 A T + 0 0 4 197,-1.2 198,-0.2 -2,-0.7 -1,-0.1 0.615 64.2 56.5 -85.6 -12.2 68.2 23.3 13.3 12 12 A Y S S- 0 0 51 196,-0.8 2,-0.7 10,-0.1 -1,-0.1 -0.971 78.3-129.6-129.6 126.2 69.4 20.5 15.7 13 13 A P - 0 0 44 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.544 21.9-179.3 -80.8 112.4 68.7 16.8 15.4 14 14 A N > > - 0 0 12 -2,-0.7 5,-1.8 1,-0.2 3,-1.6 -0.839 6.0-175.4-105.0 90.1 67.5 15.2 18.6 15 15 A T G > 5S+ 0 0 87 -2,-0.8 3,-1.5 1,-0.3 -1,-0.2 0.797 73.3 65.2 -70.3 -26.8 67.1 11.6 17.5 16 16 A D G 3 5S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.635 103.1 48.2 -71.5 -7.3 65.5 10.3 20.8 17 17 A I G < 5S- 0 0 6 -3,-1.6 -1,-0.2 15,-0.1 -2,-0.2 0.026 130.6 -92.5-114.3 21.2 62.4 12.5 20.2 18 18 A G T < 5S+ 0 0 57 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.424 74.2 148.6 91.0 2.8 62.0 11.4 16.6 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 64.0 14.0 14.8 20 20 A P - 0 0 22 0, 0.0 2,-1.0 0, 0.0 -6,-0.1 -0.303 37.4 -95.7 -66.3 167.1 65.7 12.8 11.6 21 21 A S S S+ 0 0 94 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.109 102.6 48.6 -82.2 38.2 69.5 13.0 11.6 22 22 A Y S S- 0 0 82 -2,-1.0 -10,-0.1 -10,-0.1 19,-0.1 -0.964 102.8 -70.0-161.6 160.2 69.6 16.4 9.9 23 23 A P + 0 0 40 0, 0.0 17,-2.3 0, 0.0 2,-0.3 -0.313 65.1 173.7 -55.1 147.2 68.1 19.9 10.1 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 64.4 19.6 9.0 25 25 A I E +BC 9 38A 0 13,-2.4 13,-2.1 -2,-0.3 2,-0.3 -0.868 40.7 179.6-103.4 141.5 61.0 21.4 8.7 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.4 -2,-0.4 2,-0.5 -0.989 32.1-129.3-144.3 157.5 58.2 19.7 10.6 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.5 -2,-0.3 9,-0.9 -0.944 26.5-163.3-108.0 121.3 54.4 19.9 11.4 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 53.8 19.7 15.1 29 29 A I E S-B 5 0A 13 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.904 78.3 -38.3-118.4 96.0 50.2 18.9 16.3 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 66.0 15.1 50.1 19.0 20.1 31 31 A S S S- 0 0 9 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.961 77.0-131.0-159.4 146.8 53.6 17.4 20.4 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 57.2 18.2 19.7 33 33 A R S S- 0 0 105 204,-0.4 -4,-0.3 -4,-0.1 -15,-0.1 -0.715 89.6-129.6 -81.5 93.1 57.4 14.8 17.9 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 56.4 16.0 14.5 35 35 A K S S+ 0 0 100 -8,-2.5 2,-0.3 1,-0.2 -7,-0.1 0.743 89.3 9.6 -73.4 -27.4 53.6 14.3 12.6 36 36 A K E S-C 27 0A 97 -9,-0.9 -9,-2.3 41,-0.1 2,-0.3 -0.967 70.6-175.6-154.7 139.6 55.6 14.9 9.3 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 59.1 16.1 8.5 38 38 A A E -C 25 0A 23 -13,-2.1 -13,-2.4 -2,-0.3 2,-0.1 -0.984 37.1 -95.6-143.3 147.3 61.2 17.0 5.4 39 39 A K E -C 24 0A 105 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.358 37.4-160.7 -60.5 138.1 65.0 17.5 5.1 40 40 A W - 0 0 7 -17,-2.3 2,-2.0 -30,-0.1 26,-0.1 -0.976 14.6-148.3-128.1 116.4 66.0 21.2 5.3 41 41 A N - 0 0 115 -2,-0.5 -17,-0.1 30,-0.1 -2,-0.0 -0.504 29.1-163.2 -83.4 74.2 69.4 22.4 3.9 42 42 A M - 0 0 33 -2,-2.0 2,-0.6 1,-0.1 -2,-0.0 -0.314 7.0-147.7 -63.7 140.0 69.7 25.2 6.5 43 43 A Q > - 0 0 73 3,-0.1 3,-1.8 156,-0.0 156,-0.3 -0.923 12.8-133.1-117.7 109.0 72.3 27.9 5.6 44 44 A N T 3 S+ 0 0 58 -2,-0.6 156,-0.2 1,-0.3 3,-0.1 -0.352 89.1 9.3 -61.7 122.5 74.1 29.5 8.6 45 45 A G T 3 S+ 0 0 26 154,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.459 100.7 112.4 89.9 2.7 74.1 33.3 8.2 46 46 A K < - 0 0 122 -3,-1.8 153,-0.6 153,-0.4 2,-0.5 -0.793 69.7-113.9-109.3 148.0 71.8 33.6 5.2 47 47 A V E -G 198 0B 60 -2,-0.3 2,-0.2 151,-0.2 151,-0.2 -0.711 40.2-177.0 -79.2 123.8 68.3 35.2 5.2 48 48 A G E -G 197 0B 0 149,-2.4 149,-2.3 -2,-0.5 2,-0.4 -0.720 16.7-137.9-115.9 171.1 65.5 32.6 4.5 49 49 A T E -GH 196 66B 36 17,-2.3 17,-2.2 -2,-0.2 2,-0.4 -0.999 10.2-164.5-132.8 134.2 61.8 32.8 4.0 50 50 A A E -GH 195 65B 2 145,-2.7 145,-2.1 -2,-0.4 2,-0.4 -0.938 2.3-165.7-116.7 143.6 59.0 30.4 5.3 51 51 A H E -GH 194 64B 80 13,-2.7 13,-2.2 -2,-0.4 2,-0.4 -0.976 2.2-170.4-127.3 136.6 55.4 30.2 4.1 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 52.6 28.4 5.9 53 53 A I E +GH 192 62B 93 9,-2.5 9,-2.5 -2,-0.4 2,-0.3 -0.981 7.2 159.2-139.2 148.5 49.1 27.8 4.4 54 54 A Y E -G 191 0B 16 137,-1.9 137,-2.4 -2,-0.3 2,-0.3 -0.947 10.6-174.4-160.6 147.7 45.8 26.1 5.5 55 55 A N E >> -G 190 0B 42 5,-0.3 4,-2.2 -2,-0.3 5,-0.5 -0.991 30.5-127.6-145.3 157.3 42.1 26.1 4.6 56 56 A S T 45S+ 0 0 19 133,-2.8 134,-0.1 -2,-0.3 26,-0.1 0.571 104.2 59.6 -78.5 -12.7 39.1 24.4 6.2 57 57 A V T 45S+ 0 0 92 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.898 118.1 28.0 -73.7 -53.1 37.8 22.9 2.9 58 58 A D T 45S- 0 0 110 2,-0.1 -2,-0.2 20,-0.0 3,-0.1 0.756 88.6-150.7 -83.5 -26.8 41.0 20.9 2.3 59 59 A K T <5 + 0 0 70 -4,-2.2 20,-1.7 1,-0.2 2,-0.4 0.917 48.6 132.7 56.4 52.8 42.1 20.4 5.9 60 60 A R E < - I 0 78B 116 -5,-0.5 2,-0.6 18,-0.3 -5,-0.3 -0.974 46.5-152.3-137.9 117.5 45.8 20.3 5.0 61 61 A L E + I 0 77B 3 16,-2.6 16,-2.0 -2,-0.4 2,-0.3 -0.823 26.7 177.9 -90.8 122.4 48.5 22.3 6.8 62 62 A S E -HI 53 76B 20 -9,-2.5 -9,-2.5 -2,-0.6 2,-0.3 -0.926 12.3-175.1-129.8 151.1 51.4 23.0 4.4 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 54.7 24.8 4.6 64 64 A V E -HI 51 74B 52 -13,-2.2 -13,-2.7 -2,-0.3 2,-0.4 -0.992 5.5-171.4-137.4 138.2 57.6 25.8 2.3 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 61.0 27.2 3.2 66 66 A S E -H 49 0B 41 -17,-2.2 -17,-2.3 -2,-0.4 6,-0.1 -0.958 27.0-145.6-151.5 165.5 63.7 28.6 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 -86.3-122.4 157.9 66.8 30.7 0.5 68 68 A P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.293 116.2 15.9 -55.2 144.0 67.8 32.9 -2.5 69 69 A N T 3 S+ 0 0 179 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.486 114.3 96.0 69.2 7.8 69.8 30.8 -5.1 70 70 A A S < S- 0 0 42 -3,-1.8 -1,-0.2 1,-0.0 -3,-0.2 -0.880 76.8-105.4-129.8 155.5 68.6 27.5 -3.5 71 71 A D - 0 0 158 -2,-0.3 -4,-0.3 1,-0.1 2,-0.1 -0.265 42.1-113.9 -65.1 159.9 65.9 24.9 -3.9 72 72 A S - 0 0 79 -6,-0.1 2,-0.4 -32,-0.1 -6,-0.2 -0.492 13.5-141.5 -92.0 166.0 63.0 24.8 -1.4 73 73 A A E -I 65 0B 13 -8,-2.3 -8,-2.4 -2,-0.1 2,-0.3 -0.967 22.7-173.4-121.0 146.1 61.9 22.3 1.2 74 74 A T E -I 64 0B 80 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.983 11.6-177.4-142.1 151.7 58.2 21.5 1.8 75 75 A V E -I 63 0B 7 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.3 -0.995 4.3-175.6-145.3 147.1 56.0 19.5 4.2 76 76 A S E -I 62 0B 21 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.988 3.9-173.5-141.0 152.6 52.3 18.8 4.5 77 77 A Y E -I 61 0B 78 -16,-2.0 -16,-2.6 -2,-0.3 2,-0.6 -0.973 26.0-126.6-149.7 131.2 50.0 17.1 6.9 78 78 A D E +I 60 0B 100 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.666 50.1 144.3 -76.8 117.8 46.2 16.3 6.7 79 79 A V - 0 0 19 -20,-1.7 2,-1.0 -2,-0.6 3,-0.1 -0.965 49.9-133.7-159.5 131.5 44.6 17.6 9.9 80 80 A D > - 0 0 43 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 -0.822 20.2-164.4 -87.0 99.5 41.2 19.3 10.7 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 42.4 22.2 12.8 82 82 A D G 34 S+ 0 0 44 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.683 99.7 51.4 -69.9 -14.0 38.8 22.8 14.1 83 83 A N G <4 S+ 0 0 132 -3,-2.2 -1,-0.3 3,-0.0 -2,-0.2 0.359 119.1 35.2 -94.1 -1.8 39.2 19.5 15.9 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 42.5 20.6 17.5 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 42.3 24.3 18.2 86 86 A P - 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