==== 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(AGGLUTININ) 16-MAR-93 1CON . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.H.NAISMITH,J.HABASH,S.J.HARROP,J.R.HELLIWELL,W.N.HUNTER, . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 67.5 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 . 101 42.6 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 . 26 11.0 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 3 0 1 3 2 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 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 0 144 0, 0.0 218,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -83.7 47.1 23.2 29.4 2 2 A D - 0 0 49 218,-0.1 2,-0.6 230,-0.1 213,-0.0 -0.335 360.0-138.1 -74.4 152.5 47.8 25.1 26.1 3 3 A T - 0 0 36 2,-0.0 213,-0.8 -2,-0.0 2,-0.4 -0.961 29.8-174.4-106.6 120.4 46.5 23.8 22.7 4 4 A I E +A 215 0A 3 -2,-0.6 26,-2.9 211,-0.2 2,-0.4 -0.971 22.1 178.6-126.1 134.9 49.3 24.3 20.2 5 5 A V E +AB 214 29A 1 209,-1.9 209,-2.6 -2,-0.4 2,-0.3 -0.996 27.7 168.6-127.6 124.7 49.3 23.7 16.4 6 6 A A E -AB 213 28A 2 22,-2.8 22,-3.0 -2,-0.4 2,-0.6 -0.975 39.7-144.0-143.5 156.8 52.7 24.7 15.0 7 7 A V E -AB 212 27A 2 205,-2.5 205,-2.5 -2,-0.3 2,-0.3 -0.995 34.9-156.7-116.8 112.9 54.9 24.5 11.9 8 8 A E E -AB 211 26A 0 18,-2.4 18,-1.9 -2,-0.6 2,-0.7 -0.767 24.5-158.8-100.5 146.1 58.4 24.1 13.2 9 9 A L E -AB 210 25A 0 201,-3.0 201,-1.9 -2,-0.3 2,-0.7 -0.945 28.9-167.8-116.7 89.6 61.7 25.0 11.5 10 10 A D E +AB 209 24A 2 14,-2.5 14,-2.2 -2,-0.7 199,-0.3 -0.836 17.7 179.1 -91.5 112.7 63.7 22.6 13.6 11 11 A T + 0 0 4 197,-1.3 198,-0.2 -2,-0.7 -1,-0.1 0.716 64.9 61.7 -86.0 -22.1 67.5 23.2 13.2 12 12 A Y S S- 0 0 50 196,-1.0 2,-0.7 10,-0.1 -1,-0.1 -0.914 77.3-134.8-115.7 118.4 68.6 20.6 15.7 13 13 A P - 0 0 39 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.489 20.1-179.6 -69.8 107.2 67.9 16.8 15.3 14 14 A N > > + 0 0 11 -2,-0.7 5,-2.2 1,-0.2 3,-2.1 -0.723 6.2 177.4-106.1 79.7 66.8 15.4 18.7 15 15 A T G > 5S+ 0 0 84 -2,-1.0 3,-1.3 1,-0.3 -1,-0.2 0.783 71.7 67.6 -58.0 -23.0 66.5 11.9 17.4 16 16 A D G 3 5S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.648 103.9 43.4 -73.4 -20.0 65.5 10.6 20.8 17 17 A I G < 5S- 0 0 6 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.023 134.1 -87.8-109.6 21.6 62.2 12.6 20.7 18 18 A G T < 5S+ 0 0 54 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.546 77.8 145.1 91.6 2.1 61.6 11.5 17.1 19 19 A D < - 0 0 9 -5,-2.2 -1,-0.3 1,-0.1 -2,-0.1 -0.536 52.5-115.6 -68.3 144.2 63.4 14.2 15.1 20 20 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.294 37.1 -95.3 -62.2 165.4 65.0 12.9 11.9 21 21 A S S S+ 0 0 98 -8,-0.1 -2,-0.0 -6,-0.1 3,-0.0 0.110 102.9 50.5 -73.0 21.6 68.8 13.1 11.7 22 22 A Y S S- 0 0 90 -2,-0.2 -10,-0.1 -10,-0.1 19,-0.1 -0.959 102.2 -72.2-147.9 161.5 68.8 16.4 9.8 23 23 A P + 0 0 33 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.312 64.1 173.5 -48.2 139.5 67.2 20.0 10.0 24 24 A H E -BC 10 39A 0 -14,-2.2 -14,-2.5 15,-0.3 2,-0.4 -0.970 36.3-129.2-152.8 161.5 63.6 19.6 9.1 25 25 A I E +BC 9 38A 0 13,-2.4 13,-2.0 -2,-0.3 2,-0.3 -0.923 37.9 175.4-110.8 143.7 60.4 21.4 9.0 26 26 A G E -BC 8 37A 0 -18,-1.9 -18,-2.4 -2,-0.4 2,-0.6 -0.963 33.0-122.8-148.3 164.9 57.4 19.7 10.7 27 27 A I E -BC 7 36A 0 9,-2.2 8,-3.1 -2,-0.3 9,-0.9 -0.975 27.2-162.6-115.2 118.2 53.8 20.1 11.6 28 28 A D E -B 6 0A 0 -22,-3.0 -22,-2.8 -2,-0.6 2,-0.7 -0.918 10.0-173.3-105.5 120.3 53.1 19.8 15.3 29 29 A I E S-B 5 0A 15 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.935 78.4 -40.4-116.5 101.5 49.6 19.1 16.5 30 30 A K S S+ 0 0 130 -26,-2.9 2,-0.3 -2,-0.7 -25,-0.1 0.496 127.0 70.3 56.7 15.4 49.7 19.4 20.3 31 31 A S S S- 0 0 12 -27,-0.1 -2,-0.2 2,-0.1 4,-0.1 -0.982 78.2-129.4-153.7 150.6 53.1 17.5 20.6 32 32 A V S S+ 0 0 0 205,-0.6 2,-1.3 203,-0.3 204,-0.1 0.648 91.8 90.7 -76.3 -15.1 56.7 18.4 19.8 33 33 A R S S- 0 0 96 204,-0.3 -4,-0.3 -4,-0.1 -15,-0.1 -0.709 89.0-127.9 -85.7 99.3 56.9 15.0 18.0 34 34 A S - 0 0 27 -2,-1.3 -6,-0.3 1,-0.1 3,-0.1 -0.114 8.7-143.0 -47.7 142.6 55.8 16.2 14.6 35 35 A K S S+ 0 0 103 -8,-3.1 2,-0.3 1,-0.3 -7,-0.1 0.764 90.5 7.1 -78.8 -23.4 53.0 14.5 12.8 36 36 A K E S-C 27 0A 102 -9,-0.9 -9,-2.2 41,-0.1 -1,-0.3 -0.975 71.6-176.2-156.8 141.9 54.8 15.0 9.5 37 37 A T E -C 26 0A 49 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.945 8.4-161.9-137.1 167.6 58.3 16.3 8.7 38 38 A A E -C 25 0A 23 -13,-2.0 -13,-2.4 -2,-0.3 2,-0.1 -0.982 36.5 -96.4-150.5 140.3 60.4 17.1 5.6 39 39 A K E -C 24 0A 107 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.382 37.9-160.9 -60.9 135.0 64.2 17.5 5.2 40 40 A W - 0 0 5 -17,-2.5 2,-1.9 -30,-0.1 32,-0.1 -0.978 15.4-146.7-123.8 121.6 65.2 21.1 5.4 41 41 A N - 0 0 114 -2,-0.5 2,-0.1 30,-0.2 -17,-0.1 -0.665 29.5-157.3 -90.9 82.9 68.5 22.2 4.0 42 42 A M - 0 0 36 -2,-1.9 2,-0.7 -31,-0.1 25,-0.0 -0.448 4.6-147.8 -61.8 133.3 68.9 24.9 6.5 43 43 A Q > - 0 0 69 3,-0.1 3,-2.0 -2,-0.1 156,-0.3 -0.898 10.9-139.2-116.9 104.4 71.3 27.7 5.5 44 44 A N T 3 S+ 0 0 66 -2,-0.7 156,-0.2 1,-0.3 3,-0.1 -0.338 87.1 10.5 -57.9 125.9 73.1 29.3 8.4 45 45 A G T 3 S+ 0 0 29 154,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.363 103.0 113.7 84.7 -5.3 73.4 33.0 8.0 46 46 A K S < S- 0 0 108 -3,-2.0 153,-0.7 153,-0.4 2,-0.5 -0.713 70.1-117.5-101.4 148.5 70.9 33.2 5.1 47 47 A V E -H 198 0B 56 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.737 37.9-173.5 -82.5 125.9 67.5 34.9 5.2 48 48 A G E -H 197 0B 0 149,-2.6 149,-2.3 -2,-0.5 2,-0.4 -0.739 15.1-139.9-112.3 171.3 64.8 32.3 4.5 49 49 A T E -HI 196 66B 37 17,-2.2 17,-2.2 -2,-0.3 2,-0.4 -0.994 9.1-161.7-134.8 130.1 61.0 32.6 4.0 50 50 A A E -HI 195 65B 0 145,-2.7 145,-1.8 -2,-0.4 2,-0.4 -0.934 3.3-167.8-114.5 136.9 58.3 30.3 5.4 51 51 A H E -HI 194 64B 75 13,-2.3 13,-2.4 -2,-0.4 2,-0.4 -1.000 4.2-173.4-122.0 126.7 54.8 30.3 3.9 52 52 A I E +HI 193 63B 1 141,-2.7 141,-2.6 -2,-0.4 2,-0.3 -0.981 7.9 178.1-123.6 132.3 52.0 28.4 5.9 53 53 A I E +HI 192 62B 86 9,-2.7 9,-2.4 -2,-0.4 2,-0.3 -0.971 7.1 160.2-135.8 151.6 48.5 28.0 4.3 54 54 A Y E -H 191 0B 18 137,-1.7 137,-2.2 -2,-0.3 2,-0.3 -0.956 10.9-174.8-165.2 148.4 45.3 26.3 5.4 55 55 A N E >> -H 190 0B 41 5,-0.4 4,-2.2 -2,-0.3 5,-0.6 -0.981 31.4-125.8-149.9 145.7 41.6 26.3 4.6 56 56 A S T 45S+ 0 0 14 133,-2.9 134,-0.1 -2,-0.3 26,-0.1 0.523 104.4 60.9 -67.4 -12.4 38.7 24.6 6.2 57 57 A V T 45S+ 0 0 92 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.934 118.1 27.3 -81.1 -51.1 37.4 23.0 3.0 58 58 A D T 45S- 0 0 100 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.793 89.4-151.3 -77.5 -29.0 40.6 21.0 2.3 59 59 A K T <5 + 0 0 70 -4,-2.2 20,-1.7 1,-0.2 2,-0.4 0.928 48.6 133.2 56.9 49.1 41.6 20.7 5.9 60 60 A R E < - J 0 78B 120 -5,-0.6 2,-0.6 18,-0.3 -5,-0.4 -0.992 45.5-155.0-132.3 121.8 45.3 20.5 5.0 61 61 A L E + J 0 77B 2 16,-2.8 16,-2.1 -2,-0.4 2,-0.3 -0.910 24.0 179.5 -95.2 121.2 47.9 22.6 6.7 62 62 A S E -IJ 53 76B 19 -9,-2.4 -9,-2.7 -2,-0.6 2,-0.3 -0.947 12.4-170.4-126.0 148.6 50.9 23.1 4.4 63 63 A A E -IJ 52 75B 1 12,-2.7 12,-2.1 -2,-0.3 2,-0.4 -0.978 4.7-167.7-137.5 142.5 54.1 24.9 4.8 64 64 A V E -IJ 51 74B 45 -13,-2.4 -13,-2.3 -2,-0.3 2,-0.4 -0.998 5.9-170.8-130.3 129.5 56.9 25.8 2.2 65 65 A V E +IJ 50 73B 2 8,-2.5 8,-2.2 -2,-0.4 2,-0.3 -0.985 14.1 170.4-121.7 134.8 60.3 27.1 3.4 66 66 A S E -I 49 0B 28 -17,-2.2 -17,-2.2 -2,-0.4 6,-0.1 -0.930 24.9-152.9-142.4 162.3 62.8 28.5 0.8 67 67 A Y > - 0 0 13 -2,-0.3 3,-1.7 -19,-0.2 -19,-0.2 -0.935 46.0 -88.1-127.6 148.0 66.1 30.3 0.6 68 68 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -22,-0.0 -0.301 113.7 11.3 -51.8 140.8 67.0 32.4 -2.4 69 69 A N T 3 S+ 0 0 181 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.524 113.2 98.9 62.7 13.3 68.7 30.4 -5.2 70 70 A A S < S- 0 0 44 -3,-1.7 2,-0.2 1,-0.0 -1,-0.2 -0.805 79.2-102.4-129.2 159.1 67.8 27.1 -3.5 71 71 A D - 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