==== 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 05-JUL-05 2A7A . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA VIROSA; . AUTHOR C.MUELLER-DIECKMANN,S.PANJIKAR,P.A.TUCKER,M.S.WEISS . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 65.8 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 . 25 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.8 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 0 130 0, 0.0 232,-0.0 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 167.8 32.9 62.7 40.2 2 2 A D - 0 0 41 218,-0.2 2,-0.5 230,-0.1 213,-0.0 -0.231 360.0-118.4 -69.3 167.9 36.0 60.6 40.6 3 3 A T - 0 0 43 2,-0.0 213,-0.9 230,-0.0 2,-0.4 -0.954 36.2-166.9-108.5 129.0 39.3 62.0 41.8 4 4 A I E +A 215 0A 3 -2,-0.5 26,-2.9 211,-0.2 2,-0.4 -0.978 24.1 176.4-126.7 131.8 42.0 61.5 39.2 5 5 A V E +AB 214 29A 3 209,-2.2 209,-2.7 -2,-0.4 2,-0.3 -0.999 29.2 164.4-119.8 130.2 45.7 61.8 39.2 6 6 A A E -AB 213 28A 2 22,-2.9 22,-3.1 -2,-0.4 2,-0.6 -0.970 42.1-141.3-146.9 152.8 47.2 60.8 35.8 7 7 A V E -AB 212 27A 3 205,-2.6 205,-2.1 -2,-0.3 2,-0.4 -0.992 35.9-155.0-107.6 120.5 50.3 61.0 33.7 8 8 A E E -AB 211 26A 0 18,-2.5 18,-2.4 -2,-0.6 2,-0.7 -0.796 23.2-161.1-101.7 137.6 49.0 61.5 30.1 9 9 A L E -AB 210 25A 2 201,-3.5 201,-1.7 -2,-0.4 2,-0.7 -0.912 28.2-166.8-104.5 96.5 50.7 60.6 26.9 10 10 A D E +AB 209 24A 1 14,-2.7 14,-2.4 -2,-0.7 199,-0.3 -0.782 18.1 179.5-100.1 113.0 48.6 62.9 24.8 11 11 A T + 0 0 3 197,-1.4 198,-0.2 -2,-0.7 -1,-0.2 0.583 65.0 59.5 -90.3 -10.6 48.9 62.3 21.1 12 12 A Y S S- 0 0 49 196,-0.9 2,-0.9 10,-0.1 -1,-0.1 -0.970 77.2-134.0-126.6 121.0 46.5 65.0 19.9 13 13 A P - 0 0 40 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.619 20.1-178.0 -77.0 106.9 46.9 68.7 20.6 14 14 A N > > + 0 0 8 -2,-0.9 5,-1.9 1,-0.2 3,-1.2 -0.833 5.0 178.0 -98.4 92.6 43.6 70.2 21.7 15 15 A T G > 5S+ 0 0 91 -2,-1.0 3,-1.2 1,-0.3 -1,-0.2 0.692 71.3 69.5 -74.6 -16.7 44.9 73.7 21.9 16 16 A D G 3 5S+ 0 0 108 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.765 103.9 43.0 -72.3 -25.0 41.4 75.0 22.9 17 17 A I G < 5S- 0 0 10 -3,-1.2 -1,-0.3 15,-0.0 -2,-0.2 -0.048 130.9 -89.8-110.4 28.9 41.8 73.2 26.2 18 18 A G T < 5S+ 0 0 56 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.435 76.6 143.7 86.4 0.2 45.4 74.2 26.9 19 19 A D < - 0 0 10 -5,-1.9 -1,-0.3 1,-0.1 14,-0.0 -0.460 55.7-111.9 -61.4 148.2 47.3 71.4 25.2 20 20 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 -6,-0.1 -0.282 37.4 -95.7 -69.1 167.9 50.5 72.6 23.6 21 21 A S S S+ 0 0 95 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 0.016 102.6 53.6 -82.6 31.8 50.5 72.4 19.8 22 22 A Y S S- 0 0 76 -2,-0.4 -8,-0.1 -10,-0.1 -10,-0.1 -0.976 101.4 -75.6-152.6 160.1 52.3 69.1 19.7 23 23 A P + 0 0 40 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.353 65.2 172.1 -55.3 144.7 52.0 65.6 21.2 24 24 A H E -BC 10 39A 0 -14,-2.4 -14,-2.7 15,-0.3 2,-0.4 -0.973 38.0-120.2-155.3 161.3 53.1 65.8 24.8 25 25 A I E -BC 9 38A 0 13,-2.4 13,-2.2 -2,-0.3 2,-0.3 -0.877 39.4-178.1-106.6 143.0 53.4 64.1 28.1 26 26 A G E -BC 8 37A 0 -18,-2.4 -18,-2.5 -2,-0.4 2,-0.6 -0.970 30.7-132.1-144.0 153.9 51.5 65.7 31.0 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.7 -2,-0.3 9,-0.8 -0.960 27.1-163.7-109.1 124.9 50.8 65.5 34.6 28 28 A D E -B 6 0A 0 -22,-3.1 -22,-2.9 -2,-0.6 2,-0.6 -0.925 10.9-177.1-116.4 117.7 47.1 65.8 35.3 29 29 A I E S-B 5 0A 11 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.910 77.8 -36.4-117.8 101.5 45.9 66.6 38.8 30 30 A K S S+ 0 0 128 -26,-2.9 2,-0.3 -2,-0.6 -25,-0.1 0.599 129.2 66.9 63.6 14.4 42.1 66.6 39.0 31 31 A S S S- 0 0 9 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.971 77.3-132.0-158.0 145.5 41.9 68.2 35.5 32 32 A V S S+ 0 0 1 205,-0.5 2,-1.3 203,-0.4 204,-0.1 0.705 91.1 92.2 -67.6 -20.2 42.6 67.2 31.9 33 33 A R S S- 0 0 101 204,-0.5 -4,-0.3 -4,-0.1 -15,-0.1 -0.682 90.0-127.0 -80.1 98.7 44.4 70.5 31.7 34 34 A S - 0 0 27 -2,-1.3 -6,-0.2 1,-0.1 3,-0.1 -0.076 9.4-145.2 -55.2 140.3 47.9 69.3 32.6 35 35 A K S S+ 0 0 100 -8,-2.7 2,-0.3 1,-0.3 -1,-0.1 0.783 90.2 10.3 -74.0 -28.8 49.6 71.1 35.4 36 36 A K E S-C 27 0A 92 -9,-0.8 -9,-2.3 41,-0.1 2,-0.3 -0.985 73.0-177.3-150.1 139.6 52.9 70.5 33.6 37 37 A T E -C 26 0A 50 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.941 8.8-163.4-131.9 163.1 53.7 69.3 30.1 38 38 A A E -C 25 0A 24 -13,-2.2 -13,-2.4 -2,-0.3 37,-0.1 -0.990 36.4 -96.1-141.9 147.6 56.7 68.4 28.0 39 39 A K E -C 24 0A 106 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.312 38.0-161.0 -58.7 137.3 57.0 68.0 24.2 40 40 A W - 0 0 5 -17,-2.5 2,-1.9 -30,-0.1 32,-0.1 -0.984 15.7-149.3-127.5 122.7 56.8 64.3 23.2 41 41 A N - 0 0 111 -2,-0.4 -17,-0.1 30,-0.2 -2,-0.0 -0.625 28.7-161.4 -90.7 75.1 58.1 63.1 19.8 42 42 A M - 0 0 31 -2,-1.9 2,-0.6 1,-0.1 25,-0.0 -0.347 6.2-144.2 -61.6 139.3 55.6 60.3 19.6 43 43 A Q > - 0 0 63 3,-0.1 3,-1.8 156,-0.0 156,-0.3 -0.933 13.7-131.7-114.6 110.9 56.6 57.6 17.1 44 44 A N T 3 S+ 0 0 80 -2,-0.6 156,-0.3 1,-0.3 3,-0.1 -0.392 89.0 5.9 -64.3 126.2 53.7 56.1 15.2 45 45 A G T 3 S+ 0 0 41 154,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.422 102.4 115.1 84.9 -0.9 53.8 52.4 15.3 46 46 A K S < S- 0 0 61 -3,-1.8 153,-0.7 153,-0.4 2,-0.6 -0.706 70.9-112.0-103.2 152.8 56.9 52.1 17.6 47 47 A V E -G 198 0B 54 -2,-0.3 2,-0.2 151,-0.2 151,-0.2 -0.796 39.9-174.0 -87.6 123.6 56.8 50.5 21.1 48 48 A G E -G 197 0B 0 149,-2.4 149,-2.0 -2,-0.6 2,-0.4 -0.656 14.0-142.2-110.5 162.6 57.4 53.2 23.7 49 49 A T E -GH 196 66B 35 17,-2.5 17,-2.5 -2,-0.2 2,-0.4 -0.999 8.5-162.7-130.3 135.8 57.9 52.9 27.5 50 50 A A E -GH 195 65B 0 145,-2.6 145,-2.1 -2,-0.4 2,-0.4 -0.935 3.4-166.9-116.2 141.2 56.6 55.2 30.2 51 51 A H E -GH 194 64B 81 13,-2.7 13,-2.5 -2,-0.4 2,-0.4 -0.985 3.2-171.4-127.6 136.9 58.0 55.3 33.7 52 52 A I E +GH 193 63B 0 141,-2.8 141,-2.6 -2,-0.4 2,-0.3 -0.985 7.0 179.7-130.8 137.1 56.2 57.1 36.5 53 53 A I E +GH 192 62B 94 9,-2.6 9,-2.7 -2,-0.4 2,-0.3 -0.988 7.4 159.3-141.0 147.9 57.6 57.7 40.0 54 54 A Y E -G 191 0B 19 137,-2.1 137,-2.5 -2,-0.3 2,-0.3 -0.956 10.6-174.6-160.8 147.8 56.6 59.4 43.2 55 55 A N E >> -G 190 0B 42 5,-0.4 4,-2.1 -2,-0.3 5,-0.6 -0.989 31.5-125.7-145.7 157.3 57.3 59.3 46.9 56 56 A S T 45S+ 0 0 18 133,-2.9 134,-0.1 -2,-0.3 26,-0.1 0.525 104.6 59.1 -77.9 -9.2 55.8 61.0 49.9 57 57 A V T 45S+ 0 0 87 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.932 118.1 27.2 -81.2 -53.3 59.0 62.6 51.1 58 58 A D T 45S- 0 0 109 2,-0.1 -2,-0.2 20,-0.0 3,-0.1 0.745 89.5-151.7 -79.6 -25.4 59.7 64.6 48.0 59 59 A K T <5 + 0 0 73 -4,-2.1 20,-1.5 1,-0.2 2,-0.4 0.924 48.2 133.2 52.5 52.5 56.1 64.9 46.9 60 60 A R E < - I 0 78B 97 -5,-0.6 2,-0.6 18,-0.3 -5,-0.4 -0.993 46.8-152.1-136.8 121.8 57.0 65.2 43.2 61 61 A L E + I 0 77B 2 16,-2.8 16,-2.5 -2,-0.4 2,-0.3 -0.875 25.7 177.9 -95.7 121.7 55.2 63.1 40.6 62 62 A S E -HI 53 76B 19 -9,-2.7 -9,-2.6 -2,-0.6 2,-0.3 -0.942 12.2-174.6-129.2 151.5 57.6 62.5 37.7 63 63 A A E -HI 52 75B 0 12,-2.6 12,-2.0 -2,-0.3 2,-0.4 -0.985 6.8-165.9-142.2 150.2 57.3 60.6 34.4 64 64 A V E -HI 51 74B 53 -13,-2.5 -13,-2.7 -2,-0.3 2,-0.4 -0.998 6.8-169.1-134.0 138.2 59.7 59.8 31.6 65 65 A V E +HI 50 73B 1 8,-3.1 8,-2.4 -2,-0.4 2,-0.3 -0.989 16.2 161.1-129.3 138.5 58.7 58.4 28.2 66 66 A S E -H 49 0B 28 -17,-2.5 -17,-2.5 -2,-0.4 6,-0.1 -0.960 28.3-147.4-149.7 164.2 61.0 57.0 25.6 67 67 A Y > - 0 0 9 -2,-0.3 3,-1.8 3,-0.3 -19,-0.2 -0.938 47.4 -83.6-124.9 156.3 61.4 54.9 22.5 68 68 A P T 3 S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.283 113.9 10.4 -55.1 138.8 64.4 52.8 21.6 69 69 A N T 3 S+ 0 0 167 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.507 112.1 98.6 74.1 6.9 67.2 54.8 20.0 70 70 A A S < S- 0 0 36 -3,-1.8 -3,-0.3 1,-0.0 -1,-0.2 -0.895 80.0 -99.5-125.9 154.6 65.6 58.2 20.8 71 71 A D - 0 0 160 -2,-0.3 -30,-0.2 -5,-0.1 -4,-0.2 -0.414 45.3-122.1 -64.0 143.9 65.9 60.9 23.4 72 72 A S - 0 0 72 -6,-0.1 2,-0.4 -2,-0.1 -6,-0.2 -0.274 11.1-135.4 -84.0 172.4 63.4 60.7 26.2 73 73 A A E -I 65 0B 14 -8,-2.4 -8,-3.1 -2,-0.1 2,-0.3 -0.955 23.3-173.0-124.7 143.5 60.8 63.2 27.3 74 74 A T E -I 64 0B 79 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.983 9.8-176.4-140.8 149.5 60.2 63.9 31.0 75 75 A V E -I 63 0B 6 -12,-2.0 -12,-2.6 -2,-0.3 2,-0.3 -0.988 4.2-175.3-143.4 146.0 57.8 65.9 33.1 76 76 A S E -I 62 0B 20 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.995 4.2-174.5-140.3 151.5 57.5 66.5 36.8 77 77 A Y E -I 61 0B 78 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.6 -0.975 26.5-126.7-146.9 132.8 55.1 68.3 39.1 78 78 A D E +I 60 0B 96 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.3 -0.677 50.1 144.6 -76.6 119.0 55.3 69.0 42.8 79 79 A V - 0 0 17 -20,-1.5 2,-1.0 -2,-0.6 3,-0.1 -0.960 49.7-133.5-154.6 134.3 52.1 67.7 44.4 80 80 A D > - 0 0 40 -2,-0.3 3,-2.1 1,-0.2 4,-0.4 -0.822 19.0-164.4 -87.9 104.6 51.4 66.0 47.7 81 81 A L G >> S+ 0 0 5 -2,-1.0 4,-3.0 1,-0.3 3,-1.2 0.753 83.9 67.9 -64.5 -21.5 49.3 63.1 46.6 82 82 A D G 34 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.703 101.6 49.2 -69.8 -16.7 48.1 62.6 50.1 83 83 A N G <4 S+ 0 0 131 -3,-2.1 -1,-0.3 3,-0.0 -2,-0.2 0.468 119.0 36.7 -96.7 -5.6 46.2 65.8 49.7 84 84 A V T <4 S+ 0 0 25 -3,-1.2 -2,-0.2 -4,-0.4 -3,-0.1 0.768 113.0 49.4-108.9 -50.1 44.7 64.9 46.4 85 85 A L S < S- 0 0 11 -4,-3.0 -1,-0.1 1,-0.1 4,-0.1 -0.528 82.5-107.5 -95.3 156.9 43.9 61.2 46.6 86 86 A P - 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