==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN (AGGLUTININ) 09-AUG-95 1CVN . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.H.NAISMITH . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 68.9 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 . 416 43.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 105 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 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 . 4 12 0 4 8 11 8 7 4 0 0 4 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 3 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 0 142 0, 0.0 2,-0.2 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 167.3 47.6 -0.2 42.8 2 2 A D - 0 0 52 230,-0.1 2,-0.7 218,-0.1 213,-0.0 -0.523 360.0-132.2 -80.3 150.6 44.3 0.6 41.1 3 3 A T - 0 0 40 -2,-0.2 213,-0.6 2,-0.0 2,-0.4 -0.942 32.6-169.8-104.9 114.6 43.6 -0.5 37.5 4 4 A I E +A 215 0A 4 -2,-0.7 26,-3.3 211,-0.2 2,-0.4 -0.941 24.2 172.7-118.1 133.4 42.2 2.6 35.7 5 5 A V E +AB 214 29A 2 209,-1.9 209,-2.7 -2,-0.4 2,-0.3 -0.998 26.7 162.4-131.4 117.6 40.6 3.0 32.3 6 6 A A E -AB 213 28A 2 22,-2.3 22,-3.5 -2,-0.4 2,-0.6 -0.977 40.5-138.2-143.0 157.5 39.2 6.4 31.8 7 7 A V E -AB 212 27A 2 205,-2.6 205,-2.3 -2,-0.3 2,-0.4 -0.983 34.4-153.3-114.3 112.9 38.0 8.9 29.1 8 8 A E E -AB 211 26A 0 18,-2.8 18,-2.1 -2,-0.6 2,-0.8 -0.766 23.4-160.2 -99.3 142.4 39.3 12.3 30.0 9 9 A L E -AB 210 25A 1 201,-3.2 201,-1.7 -2,-0.4 2,-0.8 -0.895 28.4-165.9-113.8 82.6 37.9 15.7 29.1 10 10 A D E +AB 209 24A 1 14,-2.3 14,-2.3 -2,-0.8 199,-0.2 -0.744 19.7 175.0 -83.0 107.9 41.2 17.5 29.7 11 11 A T + 0 0 3 197,-0.9 198,-0.2 -2,-0.8 -1,-0.1 0.560 66.3 57.5 -86.5 -15.1 40.7 21.3 30.0 12 12 A Y S S- 0 0 63 196,-1.1 2,-0.4 10,-0.1 -1,-0.1 -0.958 76.5-138.6-125.0 115.4 44.3 22.2 30.9 13 13 A P - 0 0 36 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.598 16.6-177.0 -74.2 121.2 47.3 21.2 28.7 14 14 A N > > + 0 0 17 -2,-0.4 3,-1.9 1,-0.1 5,-1.9 -0.789 6.8 176.1-114.2 77.3 50.3 20.0 30.7 15 15 A T G > 5S+ 0 0 90 -2,-0.6 3,-2.0 1,-0.3 -1,-0.1 0.829 71.0 69.8 -54.6 -32.0 52.7 19.5 27.8 16 16 A D G 3 5S+ 0 0 111 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.696 105.0 40.5 -60.8 -23.2 55.5 18.6 30.2 17 17 A I G < 5S- 0 0 8 -3,-1.9 -1,-0.3 15,-0.1 -2,-0.2 0.149 133.8 -81.6-111.8 16.6 53.7 15.3 31.0 18 18 A G T < 5S+ 0 0 52 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.435 79.6 142.1 104.1 -2.1 52.6 14.5 27.5 19 19 A D < - 0 0 11 -5,-1.9 -1,-0.3 1,-0.1 2,-0.1 -0.381 55.9-110.5 -72.1 153.0 49.4 16.6 27.0 20 20 A P - 0 0 26 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.428 37.0-103.5 -74.2 162.3 48.8 18.1 23.6 21 21 A S S S+ 0 0 95 -2,-0.1 -2,-0.0 -8,-0.1 -6,-0.0 0.211 100.2 53.5 -77.1 21.9 49.1 21.9 23.7 22 22 A Y S S- 0 0 79 -10,-0.1 -8,-0.1 -8,-0.0 -10,-0.1 -0.981 101.0 -77.3-150.9 155.2 45.3 22.3 23.6 23 23 A P + 0 0 39 0, 0.0 17,-2.3 0, 0.0 2,-0.3 -0.214 64.4 163.1 -50.6 144.1 42.2 21.2 25.5 24 24 A H E -BC 10 39A 0 -14,-2.3 -14,-2.3 15,-0.3 2,-0.3 -0.964 40.5-121.0-158.6 171.3 41.4 17.7 24.4 25 25 A I E +BC 9 38A 0 13,-2.1 13,-1.9 -2,-0.3 2,-0.3 -0.857 38.8 177.7-116.7 148.3 39.6 14.4 25.2 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.8 -2,-0.3 2,-0.6 -0.992 33.9-121.2-153.7 163.7 41.6 11.3 25.6 27 27 A I E -BC 7 36A 0 9,-2.4 8,-2.6 -2,-0.3 9,-0.9 -0.942 29.2-162.7-109.2 113.3 41.5 7.6 26.4 28 28 A D E -B 6 0A 0 -22,-3.5 -22,-2.3 -2,-0.6 2,-0.6 -0.901 8.9-173.7-101.8 122.5 43.7 6.7 29.4 29 29 A I E S-B 5 0A 14 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.902 77.1 -39.0-118.9 96.3 44.7 3.1 29.9 30 30 A K S S+ 0 0 135 -26,-3.3 2,-0.3 -2,-0.6 -25,-0.1 0.554 128.1 65.7 63.5 17.1 46.4 2.8 33.3 31 31 A S S S- 0 0 14 -27,-0.2 -2,-0.2 202,-0.1 4,-0.2 -0.982 79.8-125.4-162.5 150.5 48.3 6.1 32.9 32 32 A V S S+ 0 0 1 203,-0.4 2,-1.3 -2,-0.3 204,-0.1 0.604 92.4 89.7 -72.4 -17.3 47.5 9.8 32.6 33 33 A R S S- 0 0 108 -4,-0.1 -4,-0.3 -14,-0.0 -1,-0.1 -0.758 88.4-129.3 -84.8 96.3 49.4 10.0 29.3 34 34 A S - 0 0 27 -2,-1.3 -6,-0.2 1,-0.1 3,-0.2 -0.150 9.2-145.2 -49.4 137.0 46.5 9.2 27.0 35 35 A K S S+ 0 0 106 -8,-2.6 2,-0.3 1,-0.3 -1,-0.1 0.739 91.6 14.7 -75.0 -20.8 47.0 6.4 24.4 36 36 A K E S+C 27 0A 109 -9,-0.9 -9,-2.4 41,-0.1 -1,-0.3 -0.970 70.4 176.3-157.3 135.9 44.8 8.6 22.2 37 37 A T E -C 26 0A 44 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.898 10.0-161.7-136.3 165.5 43.6 12.2 22.2 38 38 A A E -C 25 0A 21 -13,-1.9 -13,-2.1 -2,-0.3 37,-0.1 -0.985 37.0 -95.5-149.9 139.4 41.5 14.6 20.0 39 39 A K E -C 24 0A 123 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.357 40.4-161.0 -57.7 132.6 41.3 18.3 20.0 40 40 A W - 0 0 8 -17,-2.3 2,-1.6 -30,-0.2 32,-0.1 -0.977 15.2-149.0-123.8 121.8 38.4 19.5 22.1 41 41 A N - 0 0 125 -2,-0.5 2,-0.1 30,-0.2 -17,-0.1 -0.657 26.1-160.8 -90.5 81.5 36.9 23.0 21.7 42 42 A M - 0 0 33 -2,-1.6 2,-0.6 1,-0.1 -2,-0.0 -0.390 5.8-145.4 -63.9 136.2 35.7 23.4 25.3 43 43 A Q > - 0 0 49 3,-0.2 3,-1.6 -2,-0.1 156,-0.3 -0.919 14.9-130.8-112.2 111.6 33.1 26.1 25.8 44 44 A N T 3 S+ 0 0 85 -2,-0.6 156,-0.2 1,-0.2 3,-0.1 -0.406 87.6 6.1 -60.8 125.9 33.4 28.0 29.1 45 45 A G T 3 S+ 0 0 36 154,-2.8 2,-0.3 1,-0.2 -1,-0.2 0.409 101.8 116.9 81.5 1.1 30.0 28.2 30.9 46 46 A K < - 0 0 115 -3,-1.6 153,-0.7 153,-0.4 2,-0.4 -0.786 67.9-115.3-108.2 145.3 28.1 25.9 28.6 47 47 A V E -H 198 0B 45 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.594 40.6-175.5 -74.2 129.6 26.4 22.6 29.2 48 48 A G E -H 197 0B 0 149,-2.5 149,-2.1 -2,-0.4 2,-0.4 -0.771 16.4-135.3-124.2 168.8 28.0 19.8 27.2 49 49 A T E -HI 196 66B 16 17,-2.9 17,-2.7 -2,-0.3 2,-0.4 -0.975 10.6-166.1-130.5 141.2 27.4 16.2 26.7 50 50 A A E -HI 195 65B 1 145,-2.4 145,-2.0 -2,-0.4 2,-0.4 -0.969 2.9-171.6-125.4 140.3 29.7 13.2 26.6 51 51 A H E -HI 194 64B 16 13,-2.4 13,-2.1 -2,-0.4 2,-0.4 -1.000 2.6-173.5-135.3 126.8 28.8 9.8 25.3 52 52 A I E +HI 193 63B 0 141,-2.7 141,-2.8 -2,-0.4 2,-0.3 -0.982 7.4 178.9-123.6 137.4 31.1 6.8 25.7 53 53 A I E +HI 192 62B 22 9,-2.4 9,-2.4 -2,-0.4 2,-0.3 -0.980 7.8 170.2-141.0 151.2 30.5 3.3 24.1 54 54 A Y E -HI 191 61B 16 137,-1.9 137,-2.2 -2,-0.3 2,-0.3 -0.974 4.3-179.8-159.3 144.0 32.2 -0.1 23.9 55 55 A N E >> -HI 190 60B 17 5,-0.6 4,-2.0 -2,-0.3 5,-0.7 -0.981 32.0-129.6-148.9 141.1 31.4 -3.6 22.7 56 56 A S T 45S+ 0 0 23 133,-2.3 134,-0.1 -2,-0.3 26,-0.0 0.472 101.0 67.6 -67.5 -10.1 33.4 -6.8 22.7 57 57 A V T 45S+ 0 0 24 132,-0.3 -1,-0.2 1,-0.1 482,-0.1 0.946 117.5 21.2 -76.8 -50.1 32.8 -7.5 19.0 58 58 A D T 45S- 0 0 14 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.699 91.3-147.4 -88.7 -24.2 34.8 -4.5 17.8 59 59 A K T <5 + 0 0 62 -4,-2.0 20,-1.2 1,-0.2 2,-0.4 0.950 52.6 131.8 51.1 56.1 36.9 -4.1 21.0 60 60 A R E < -IJ 55 78B 65 -5,-0.7 -5,-0.6 18,-0.3 2,-0.5 -0.998 49.1-148.9-139.5 132.0 37.1 -0.4 20.4 61 61 A L E +IJ 54 77B 3 16,-3.1 16,-2.3 -2,-0.4 2,-0.3 -0.941 25.3 178.9-106.0 121.5 36.4 2.3 23.0 62 62 A S E -IJ 53 76B 0 -9,-2.4 -9,-2.4 -2,-0.5 2,-0.3 -0.904 11.9-174.3-126.1 157.0 34.9 5.5 21.6 63 63 A A E -IJ 52 75B 2 12,-2.3 12,-2.3 -2,-0.3 2,-0.4 -0.993 8.3-167.1-150.7 146.8 33.7 8.8 22.9 64 64 A V E -IJ 51 74B 3 -13,-2.1 -13,-2.4 -2,-0.3 2,-0.4 -0.994 6.6-172.0-133.7 132.3 32.0 11.9 21.5 65 65 A V E +IJ 50 73B 2 8,-2.2 8,-2.8 -2,-0.4 2,-0.3 -0.996 19.4 159.7-128.3 129.0 31.8 15.2 23.5 66 66 A S E -I 49 0B 9 -17,-2.7 -17,-2.9 -2,-0.4 6,-0.1 -0.971 32.5-145.0-150.6 164.3 29.7 18.0 22.1 67 67 A Y > - 0 0 4 -2,-0.3 3,-1.1 4,-0.2 -19,-0.1 -0.896 49.0 -83.1-122.7 153.0 27.8 21.3 22.8 68 68 A P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 527,-0.1 -0.332 114.5 9.8 -60.5 140.8 24.6 22.3 21.1 69 69 A N T 3 S+ 0 0 155 1,-0.2 2,-0.3 525,-0.1 526,-0.0 0.869 113.4 107.2 57.7 37.5 25.1 24.0 17.7 70 70 A A S < S- 0 0 21 -3,-1.1 -1,-0.2 0, 0.0 -3,-0.1 -0.988 77.1-103.4-145.5 150.3 28.7 23.0 17.8 71 71 A D - 0 0 162 -2,-0.3 -4,-0.2 -3,-0.1 -30,-0.2 -0.445 43.5-123.6 -71.1 144.9 31.0 20.4 16.1 72 72 A S - 0 0 59 -6,-0.1 2,-0.5 -2,-0.1 -6,-0.2 -0.530 6.6-129.8 -93.2 161.4 31.8 17.4 18.3 73 73 A A E -J 65 0B 9 -8,-2.8 -8,-2.2 -2,-0.2 2,-0.4 -0.922 27.0-169.2-108.7 130.4 35.1 15.9 19.4 74 74 A T E +J 64 0B 64 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.969 10.4 175.4-125.2 142.0 35.5 12.2 18.8 75 75 A V E +J 63 0B 6 -12,-2.3 -12,-2.3 -2,-0.4 2,-0.3 -0.988 2.9 177.5-148.9 131.2 38.2 9.8 20.0 76 76 A S E -J 62 0B 19 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.989 4.2-176.6-136.4 146.6 38.4 6.0 19.6 77 77 A Y E -J 61 0B 76 -16,-2.3 -16,-3.1 -2,-0.3 2,-0.6 -0.992 28.2-123.4-147.8 133.0 41.0 3.5 20.6 78 78 A D E +J 60 0B 108 -2,-0.3 2,-0.3 -18,-0.3 -18,-0.3 -0.680 48.7 149.7 -77.7 116.6 41.2 -0.3 20.0 79 79 A V - 0 0 16 -20,-1.2 2,-1.1 -2,-0.6 -2,-0.1 -0.969 44.3-141.2-154.5 132.1 41.4 -2.0 23.3 80 80 A D > - 0 0 40 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 -0.807 15.3-164.2 -94.0 99.2 40.3 -5.4 24.7 81 81 A L G >> S+ 0 0 3 -2,-1.1 4,-3.0 1,-0.3 3,-0.9 0.704 81.0 74.7 -57.4 -17.6 39.1 -4.6 28.2 82 82 A D G 34 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 100,-0.1 0.834 100.3 43.4 -63.5 -35.2 39.2 -8.3 29.1 83 83 A N G <4 S+ 0 0 141 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.506 122.0 39.4 -87.3 -8.1 43.0 -8.0 29.2 84 84 A V T <4 S+ 0 0 30 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.796 111.3 43.7-106.1 -49.1 43.0 -4.7 31.1 85 85 A L S < S- 0 0 7 -4,-3.0 -1,-0.1 1,-0.1 4,-0.1 -0.639 80.3-107.6-103.5 157.8 40.3 -4.7 33.7 86 86 A P - 0 0 51 0, 0.0 95,-0.2 0, 0.0 -1,-0.1 -0.319 38.5-104.6 -73.6 168.0 39.0 -7.3 36.2 87 87 A E S S+ 0 0 58 1,-0.1 94,-1.2 94,-0.1 95,-1.1 0.824 110.1 43.7 -59.8 -38.1 35.7 -9.1 35.6 88 88 A W E S+D 180 0A 11 92,-0.2 129,-0.5 93,-0.1 92,-0.2 -0.966 75.6 156.0-114.2 127.0 33.9 -7.0 38.3 89 89 A V E -DE 179 216A 0 90,-2.7 90,-3.4 -2,-0.5 2,-0.4 -0.694 36.0-122.0-137.1-175.5 34.6 -3.2 38.4 90 90 A R E - 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