==== 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 METAL BINDING PROTEIN 22-FEB-06 2G4I . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA VIROSA; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 67.1 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 . 1 0.4 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 . 27 11.4 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 0 131 0, 0.0 2,-0.2 0, 0.0 232,-0.1 0.000 360.0 360.0 360.0-178.7 32.6 63.7 40.4 2 2 A D - 0 0 48 230,-0.1 2,-0.5 218,-0.1 213,-0.0 -0.476 360.0-117.6 -78.3 164.8 35.5 61.3 40.8 3 3 A T - 0 0 42 -2,-0.2 213,-0.6 2,-0.0 2,-0.4 -0.940 37.1-169.5-106.9 124.6 38.9 62.6 42.0 4 4 A I E +A 215 0A 2 -2,-0.5 26,-2.8 211,-0.2 2,-0.4 -0.957 25.3 179.0-127.8 131.1 41.6 62.1 39.4 5 5 A V E +AB 214 29A 2 209,-2.2 209,-2.8 -2,-0.4 2,-0.3 -0.990 29.1 168.0-119.6 118.0 45.4 62.4 39.4 6 6 A A E -AB 213 28A 2 22,-2.7 22,-3.4 -2,-0.4 2,-0.6 -0.956 38.4-145.8-130.4 149.9 46.8 61.4 35.8 7 7 A V E -AB 212 27A 4 205,-2.6 205,-1.9 -2,-0.3 2,-0.4 -0.992 34.0-152.9-103.2 119.9 49.9 61.6 33.8 8 8 A E E -AB 211 26A 0 18,-2.0 18,-2.3 -2,-0.6 2,-0.7 -0.794 24.4-164.1 -99.3 135.5 48.7 62.2 30.2 9 9 A L E -AB 210 25A 3 201,-3.3 201,-1.8 -2,-0.4 2,-0.6 -0.954 31.5-168.1-104.1 94.3 50.5 61.2 27.0 10 10 A D E -AB 209 24A 2 14,-2.5 14,-2.2 -2,-0.7 199,-0.3 -0.850 20.0-179.1-104.2 115.1 48.3 63.5 25.0 11 11 A T + 0 0 3 197,-1.3 198,-0.2 -2,-0.6 -1,-0.1 0.666 65.1 59.5 -89.5 -21.9 48.5 63.0 21.2 12 12 A Y S S- 0 0 52 196,-1.1 2,-0.7 193,-0.1 -1,-0.1 -0.949 77.7-134.3-114.8 120.4 46.1 65.7 20.0 13 13 A P - 0 0 39 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.628 19.9-177.8 -77.4 111.4 46.6 69.4 20.8 14 14 A N > > + 0 0 8 -2,-0.7 5,-1.8 1,-0.1 3,-1.6 -0.810 5.4 175.6-103.6 83.4 43.3 71.0 21.9 15 15 A T G > 5S+ 0 0 90 -2,-0.8 3,-1.2 1,-0.3 -1,-0.1 0.690 72.2 70.8 -69.4 -20.2 44.6 74.6 22.4 16 16 A D G 3 5S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.761 104.6 41.6 -60.4 -29.3 41.1 75.8 23.2 17 17 A I G < 5S- 0 0 10 -3,-1.6 -1,-0.2 15,-0.1 -2,-0.2 -0.021 133.2 -88.2-109.9 26.4 41.5 73.9 26.6 18 18 A G T < 5S+ 0 0 58 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.388 76.8 146.0 87.8 -1.7 45.1 75.0 27.2 19 19 A D < - 0 0 8 -5,-1.8 -1,-0.3 1,-0.1 14,-0.0 -0.398 53.3-114.8 -57.0 142.4 47.0 72.2 25.3 20 20 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.250 37.7 -94.6 -66.0 170.4 50.2 73.5 23.7 21 21 A S S S+ 0 0 101 -6,-0.1 -2,-0.0 -8,-0.1 3,-0.0 0.021 102.7 50.7 -85.4 35.7 50.3 73.3 19.9 22 22 A Y S S- 0 0 81 -2,-0.3 19,-0.1 -10,-0.1 2,-0.1 -0.951 101.9 -72.4-151.6 164.4 52.1 69.9 19.8 23 23 A P + 0 0 37 0, 0.0 17,-2.7 0, 0.0 2,-0.3 -0.418 65.9 173.0 -55.8 143.3 51.8 66.3 21.3 24 24 A H E -BC 10 39A 0 -14,-2.2 -14,-2.5 15,-0.3 2,-0.4 -0.983 38.1-119.4-154.7 153.1 52.8 66.6 24.9 25 25 A I E -BC 9 38A 1 13,-2.7 13,-1.9 -2,-0.3 2,-0.3 -0.902 39.2-176.2 -97.7 139.4 53.1 64.9 28.3 26 26 A G E -BC 8 37A 0 -18,-2.3 -18,-2.0 -2,-0.4 2,-0.5 -0.905 29.0-134.9-133.8 158.8 51.1 66.5 31.1 27 27 A I E -BC 7 36A 0 9,-2.0 8,-2.7 -2,-0.3 9,-0.7 -0.980 25.9-162.0-115.1 119.1 50.5 66.1 34.8 28 28 A D E -B 6 0A 0 -22,-3.4 -22,-2.7 -2,-0.5 2,-0.7 -0.910 12.3-177.4-112.0 110.1 46.7 66.4 35.6 29 29 A I E S-B 5 0A 11 -2,-0.6 -24,-0.2 4,-0.2 4,-0.1 -0.913 80.5 -38.8-107.0 99.6 45.6 67.2 39.2 30 30 A K S S+ 0 0 129 -26,-2.8 2,-0.3 -2,-0.7 -25,-0.1 0.599 128.8 71.6 58.5 17.2 41.7 67.1 39.1 31 31 A S S S- 0 0 6 -27,-0.1 -2,-0.2 -25,-0.1 4,-0.2 -0.959 75.5-134.2-157.4 144.7 41.6 68.8 35.7 32 32 A V S S+ 0 0 0 205,-0.5 2,-1.5 203,-0.4 204,-0.1 0.595 91.2 91.4 -69.5 -15.0 42.3 67.8 32.0 33 33 A R S S- 0 0 106 204,-0.3 -4,-0.2 -4,-0.1 -1,-0.1 -0.728 90.7-128.5 -80.6 84.6 44.1 71.2 31.8 34 34 A S - 0 0 26 -2,-1.5 -6,-0.2 1,-0.2 3,-0.1 -0.008 7.1-142.9 -37.4 137.2 47.5 69.9 32.8 35 35 A K S S+ 0 0 102 -8,-2.7 2,-0.3 1,-0.3 -1,-0.2 0.692 90.1 7.7 -77.1 -21.6 49.2 71.9 35.6 36 36 A K E S-C 27 0A 122 -9,-0.7 -9,-2.0 41,-0.1 2,-0.3 -0.972 72.0-176.5-156.0 149.3 52.5 71.3 33.7 37 37 A T E -C 26 0A 46 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.947 11.3-159.0-140.5 161.9 53.5 69.9 30.3 38 38 A A E -C 25 0A 25 -13,-1.9 -13,-2.7 -2,-0.3 35,-0.1 -0.975 38.1 -97.5-137.7 142.8 56.6 69.1 28.2 39 39 A K E -C 24 0A 106 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.329 37.8-156.2 -54.1 134.7 56.7 68.7 24.3 40 40 A W - 0 0 6 -17,-2.7 2,-1.4 -30,-0.1 32,-0.1 -0.980 13.9-146.8-123.4 124.6 56.6 65.1 23.2 41 41 A N - 0 0 110 -2,-0.4 -17,-0.1 30,-0.2 -2,-0.0 -0.627 29.0-158.5 -93.3 72.8 58.0 63.9 19.9 42 42 A M - 0 0 36 -2,-1.4 2,-0.5 1,-0.1 25,-0.0 -0.225 3.5-149.0 -50.0 131.1 55.3 61.2 19.4 43 43 A Q > - 0 0 64 3,-0.2 3,-1.3 156,-0.0 156,-0.3 -0.964 15.2-128.7-114.1 116.9 56.4 58.4 17.0 44 44 A N T 3 S- 0 0 83 -2,-0.5 156,-0.2 1,-0.2 3,-0.1 -0.490 87.3 -1.7 -68.4 123.2 53.5 56.8 15.0 45 45 A G T 3 S+ 0 0 38 154,-2.6 2,-0.3 -2,-0.3 -1,-0.2 0.532 100.6 120.7 73.2 9.7 53.5 53.0 15.2 46 46 A K < - 0 0 69 -3,-1.3 153,-0.7 153,-0.4 2,-0.5 -0.804 69.4-114.1-100.1 144.8 56.7 52.8 17.4 47 47 A V E -G 198 0B 64 -2,-0.3 151,-0.2 151,-0.2 2,-0.2 -0.715 41.4-173.5 -77.2 124.0 56.5 51.1 20.8 48 48 A G E -G 197 0B 0 149,-2.9 149,-2.2 -2,-0.5 2,-0.4 -0.659 15.1-136.9-114.2 171.8 57.2 53.7 23.6 49 49 A T E -GH 196 66B 36 17,-2.8 17,-2.2 147,-0.2 2,-0.3 -0.981 9.2-163.1-138.9 123.9 57.6 53.6 27.4 50 50 A A E -GH 195 65B 2 145,-2.6 145,-1.7 -2,-0.4 2,-0.4 -0.814 4.1-169.2-104.0 142.1 56.2 55.8 30.2 51 51 A H E -GH 194 64B 74 13,-2.2 13,-2.3 -2,-0.3 2,-0.4 -0.999 2.2-171.9-131.4 129.2 57.6 56.0 33.8 52 52 A I E -GH 193 63B 0 141,-3.0 141,-2.1 -2,-0.4 2,-0.3 -0.946 7.6-179.3-121.2 137.8 55.8 57.8 36.6 53 53 A I E +GH 192 62B 91 9,-2.5 9,-2.6 -2,-0.4 2,-0.3 -0.996 6.9 160.0-140.3 150.7 57.4 58.4 40.1 54 54 A Y E -G 191 0B 17 137,-1.8 137,-2.5 -2,-0.3 2,-0.3 -0.974 9.8-179.1-161.2 148.2 56.3 60.0 43.4 55 55 A N E >> -G 190 0B 39 5,-0.4 4,-2.0 -2,-0.3 5,-0.7 -0.979 31.6-128.2-147.5 159.1 57.1 60.1 47.1 56 56 A S T 45S+ 0 0 19 133,-2.6 134,-0.1 -2,-0.3 26,-0.1 0.516 102.2 63.3 -82.6 -12.4 55.6 61.9 50.1 57 57 A V T 45S+ 0 0 92 132,-0.3 -1,-0.2 1,-0.1 133,-0.0 0.967 121.2 21.3 -70.6 -58.3 59.0 63.3 51.3 58 58 A D T 45S- 0 0 108 2,-0.1 -2,-0.2 20,-0.0 3,-0.1 0.723 92.7-147.6 -79.9 -27.9 59.6 65.5 48.2 59 59 A K T <5 + 0 0 74 -4,-2.0 20,-1.9 1,-0.2 2,-0.4 0.953 47.4 139.8 53.1 57.9 55.8 65.5 47.1 60 60 A R E < - I 0 78B 103 -5,-0.7 2,-0.7 18,-0.2 -5,-0.4 -0.977 43.0-156.4-136.3 115.1 56.7 65.6 43.4 61 61 A L E + I 0 77B 2 16,-2.0 16,-2.5 -2,-0.4 2,-0.3 -0.875 26.5 176.3 -85.8 111.6 54.9 63.7 40.7 62 62 A S E -HI 53 76B 19 -9,-2.6 -9,-2.5 -2,-0.7 2,-0.3 -0.844 10.9-172.0-115.6 157.6 57.3 63.3 37.8 63 63 A A E -HI 52 75B 4 12,-2.4 12,-2.1 -2,-0.3 2,-0.3 -0.993 7.2-167.4-145.2 149.0 57.1 61.4 34.5 64 64 A V E -HI 51 74B 50 -13,-2.3 -13,-2.2 -2,-0.3 2,-0.4 -0.995 5.1-166.1-131.0 142.2 59.4 60.5 31.6 65 65 A V E +HI 50 73B 2 8,-2.8 8,-2.3 -2,-0.3 2,-0.3 -0.991 16.5 167.3-130.2 136.1 58.4 59.1 28.1 66 66 A S E -H 49 0B 32 -17,-2.2 -17,-2.8 -2,-0.4 6,-0.1 -0.988 27.7-158.2-147.0 157.1 60.7 57.5 25.6 67 67 A Y > - 0 0 8 -2,-0.3 3,-1.3 4,-0.3 -19,-0.1 -0.904 47.9 -91.5-119.1 151.7 61.2 55.5 22.4 68 68 A P T 3 S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.329 113.1 19.6 -58.9 150.1 64.5 53.6 21.6 69 69 A N T 3 S+ 0 0 170 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.575 112.4 99.6 65.8 12.5 67.0 55.7 19.7 70 70 A A S < S- 0 0 35 -3,-1.3 -1,-0.2 0, 0.0 -3,-0.2 -0.953 77.8-109.4-132.6 144.3 65.2 58.9 20.7 71 71 A D - 0 0 165 -2,-0.3 -4,-0.3 1,-0.1 -30,-0.2 -0.358 43.3-111.6 -65.4 154.5 65.7 61.5 23.4 72 72 A S - 0 0 78 -6,-0.1 2,-0.4 -2,-0.1 -6,-0.2 -0.450 13.4-137.6 -89.4 156.9 63.2 61.5 26.3 73 73 A A E -I 65 0B 11 -8,-2.3 -8,-2.8 -2,-0.1 2,-0.3 -0.938 26.4-170.9-108.7 141.7 60.4 64.0 27.3 74 74 A T E +I 64 0B 82 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.947 11.9 178.4-131.1 153.5 60.1 64.7 31.0 75 75 A V E -I 63 0B 6 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.3 -0.973 3.3-174.8-154.1 142.9 57.6 66.6 33.2 76 76 A S E -I 62 0B 33 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.999 4.0-171.0-140.6 140.6 57.3 67.3 37.0 77 77 A Y E -I 61 0B 82 -16,-2.5 -16,-2.0 -2,-0.3 2,-0.6 -0.983 24.4-130.1-133.8 128.8 54.8 68.9 39.4 78 78 A D E +I 60 0B 103 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.660 51.4 142.6 -67.5 117.9 55.1 69.8 43.1 79 79 A V - 0 0 17 -20,-1.9 2,-1.0 -2,-0.6 -2,-0.1 -0.907 51.2-135.4-163.2 126.6 51.9 68.4 44.6 80 80 A D > - 0 0 36 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.791 18.7-163.8 -82.9 104.4 51.1 66.7 48.0 81 81 A L G >> S+ 0 0 4 -2,-1.0 4,-2.9 1,-0.3 3,-0.9 0.720 85.3 66.0 -67.0 -20.9 49.0 63.7 46.8 82 82 A D G 34 S+ 0 0 53 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.701 100.6 51.3 -68.5 -22.3 47.7 63.2 50.4 83 83 A N G <4 S+ 0 0 131 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.507 120.3 34.5 -86.7 -6.2 46.0 66.5 50.0 84 84 A V T <4 S+ 0 0 27 -3,-0.9 -2,-0.2 -4,-0.3 -3,-0.1 0.802 112.7 47.2-113.7 -51.7 44.4 65.5 46.7 85 85 A L S < S- 0 0 12 -4,-2.9 -1,-0.1 1,-0.1 4,-0.1 -0.575 83.3-105.1 -96.9 155.8 43.5 61.8 46.8 86 86 A P - 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