==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 09-JUL-10 3NWK . COMPND 2 MOLECULE: CONCANAVALIN-A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR L.M.FOROUGHI,Y.N.KANG,A.J.MATZGER . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 643 67.8 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 . 404 42.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 92 9.7 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 . 16 1.7 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 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 . 4 12 0 4 14 8 8 4 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 . 4 0 0 0 0 4 0 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 0 116 0, 0.0 218,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 128.1 18.3 -6.8 -29.2 2 2 A D - 0 0 46 218,-0.1 2,-0.5 216,-0.1 213,-0.0 -0.348 360.0-142.8 -72.5 152.8 16.6 -7.2 -25.8 3 3 A T - 0 0 36 -2,-0.0 213,-0.9 2,-0.0 2,-0.4 -0.964 25.8-172.4-113.4 120.2 17.8 -5.4 -22.7 4 4 A I E +A 215 0A 3 -2,-0.5 26,-2.6 211,-0.2 2,-0.4 -0.952 22.8 177.9-123.6 129.0 17.5 -7.5 -19.5 5 5 A V E +AB 214 29A 2 209,-2.2 209,-2.5 -2,-0.4 2,-0.3 -0.986 30.6 160.8-115.3 133.0 17.9 -7.0 -15.8 6 6 A A E -AB 213 28A 2 22,-2.3 22,-2.9 -2,-0.4 2,-0.5 -0.990 43.7-137.5-152.1 158.0 17.1 -10.0 -13.7 7 7 A V E -AB 212 27A 3 205,-2.4 205,-2.0 -2,-0.3 2,-0.4 -0.994 33.7-156.1-114.2 119.4 17.4 -11.9 -10.5 8 8 A E E -AB 211 26A 0 18,-2.2 18,-2.1 -2,-0.5 2,-0.7 -0.804 21.4-159.1-101.3 138.8 18.0 -15.6 -11.2 9 9 A L E -AB 210 25A 0 201,-3.5 201,-1.6 -2,-0.4 2,-0.8 -0.937 28.6-166.1-102.5 95.7 17.3 -18.6 -8.9 10 10 A D E +AB 209 24A 1 14,-2.8 14,-2.2 -2,-0.7 199,-0.2 -0.796 18.8 178.4 -99.1 112.2 19.7 -20.9 -10.7 11 11 A T + 0 0 5 197,-1.0 198,-0.2 -2,-0.8 -1,-0.1 0.599 65.5 57.2 -88.8 -10.1 19.2 -24.5 -9.8 12 12 A Y S S- 0 0 66 196,-0.9 2,-0.5 12,-0.1 -1,-0.1 -0.965 77.4-131.5-133.0 120.9 21.9 -26.0 -12.0 13 13 A P - 0 0 37 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.517 18.8-177.2 -71.1 110.3 25.7 -25.1 -12.1 14 14 A N > > + 0 0 16 -2,-0.5 5,-1.8 1,-0.1 3,-1.6 -0.800 8.1 174.6-104.2 86.8 26.9 -24.5 -15.6 15 15 A T G > 5S+ 0 0 90 -2,-0.8 3,-1.1 1,-0.3 -1,-0.1 0.698 70.7 67.8 -74.2 -15.1 30.6 -23.9 -14.6 16 16 A D G 3 5S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.650 105.1 43.0 -78.1 -14.1 31.6 -23.6 -18.3 17 17 A I G < 5S- 0 0 7 -3,-1.6 -1,-0.3 15,-0.1 -2,-0.2 -0.090 130.4 -87.3-117.9 29.4 29.7 -20.3 -18.5 18 18 A G T < 5S+ 0 0 52 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.446 77.1 142.9 87.8 -2.5 30.8 -18.9 -15.2 19 19 A D < - 0 0 12 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.0 -0.433 57.0-111.2 -61.2 147.0 28.2 -20.2 -12.7 20 20 A P - 0 0 24 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.324 38.2 -99.3 -69.2 169.3 29.7 -21.1 -9.3 21 21 A S S S+ 0 0 96 -8,-0.1 -6,-0.1 -6,-0.1 -2,-0.0 0.254 100.1 55.3 -84.6 16.6 29.8 -24.9 -8.7 22 22 A Y S S- 0 0 80 -10,-0.1 -10,-0.1 19,-0.0 19,-0.1 -0.926 101.5 -76.0-136.0 162.1 26.6 -25.0 -6.5 23 23 A P + 0 0 39 0, 0.0 17,-2.3 0, 0.0 2,-0.3 -0.341 65.7 168.9 -54.8 145.1 22.9 -23.8 -6.9 24 24 A H E -BC 10 39A 0 -14,-2.2 -14,-2.8 15,-0.3 2,-0.4 -0.974 38.9-124.5-158.9 155.4 22.9 -20.1 -6.4 25 25 A I E -BC 9 38A 0 13,-2.4 13,-2.2 -2,-0.3 2,-0.3 -0.865 38.5-179.6-104.4 150.3 20.9 -16.9 -6.7 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.2 -2,-0.4 2,-0.6 -0.991 33.5-124.0-149.5 156.9 22.4 -14.1 -8.9 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.5 -2,-0.3 9,-0.9 -0.933 30.2-162.2-103.2 120.9 22.0 -10.5 -10.2 28 28 A D E -B 6 0A 0 -22,-2.9 -22,-2.3 -2,-0.6 2,-0.7 -0.907 9.8-174.4-108.7 117.7 22.2 -10.5 -14.0 29 29 A I E S-B 5 0A 15 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.883 76.9 -39.5-115.7 99.3 22.8 -7.2 -15.7 30 30 A K S S+ 0 0 126 -26,-2.6 2,-0.3 -2,-0.7 -25,-0.1 0.685 129.0 69.3 59.5 20.1 22.5 -7.7 -19.5 31 31 A S S S- 0 0 9 -27,-0.2 -2,-0.2 1,-0.0 4,-0.2 -0.963 79.1-130.2-160.6 146.5 24.3 -11.1 -19.3 32 32 A V S S+ 0 0 2 205,-0.6 2,-1.4 203,-0.4 204,-0.1 0.643 92.5 91.3 -70.9 -13.4 23.5 -14.6 -17.9 33 33 A R S S- 0 0 100 204,-0.5 -4,-0.3 -4,-0.1 -1,-0.1 -0.694 88.4-130.8 -86.9 96.2 26.9 -14.3 -16.2 34 34 A S - 0 0 26 -2,-1.4 -6,-0.2 1,-0.1 3,-0.1 -0.069 7.6-143.4 -52.7 140.3 25.8 -12.8 -12.9 35 35 A K S S+ 0 0 101 -8,-2.5 2,-0.3 1,-0.3 -1,-0.1 0.733 91.5 10.4 -72.2 -24.2 27.6 -9.7 -11.6 36 36 A K E S-C 27 0A 102 -9,-0.9 -9,-2.3 41,-0.1 2,-0.3 -0.969 73.0-177.1-155.2 137.9 27.1 -11.1 -8.1 37 37 A T E -C 26 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.874 9.1-159.6-130.6 168.1 25.9 -14.5 -6.8 38 38 A A E -C 25 0A 21 -13,-2.2 -13,-2.4 -2,-0.3 37,-0.1 -0.984 34.4 -98.4-143.6 146.2 25.2 -16.2 -3.4 39 39 A K E -C 24 0A 109 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.308 39.1-160.8 -60.3 142.6 25.0 -19.9 -2.5 40 40 A W - 0 0 5 -17,-2.3 2,-1.5 -30,-0.1 32,-0.1 -0.966 16.6-153.2-136.0 117.0 21.5 -21.1 -2.4 41 41 A N - 0 0 118 -2,-0.4 2,-0.1 30,-0.2 -17,-0.1 -0.663 25.7-161.8 -87.8 85.7 20.3 -24.3 -0.6 42 42 A M - 0 0 35 -2,-1.5 2,-0.7 1,-0.1 -2,-0.0 -0.395 9.4-139.0 -70.9 146.3 17.3 -25.0 -2.7 43 43 A Q > - 0 0 74 3,-0.2 3,-2.2 -2,-0.1 156,-0.3 -0.902 18.2-127.4-116.5 105.8 14.7 -27.4 -1.2 44 44 A N T 3 S- 0 0 49 -2,-0.7 156,-0.2 1,-0.3 3,-0.1 -0.239 88.8 -1.2 -48.9 122.3 13.4 -29.9 -3.6 45 45 A G T 3 S+ 0 0 27 154,-2.5 2,-0.3 1,-0.2 -1,-0.3 0.566 102.6 118.1 71.3 9.5 9.5 -29.8 -3.6 46 46 A K S < S- 0 0 116 -3,-2.2 153,-0.6 153,-0.4 2,-0.4 -0.833 70.7-108.9-106.3 149.3 9.1 -27.1 -0.8 47 47 A V E -G 198 0B 60 -2,-0.3 2,-0.2 151,-0.2 151,-0.2 -0.617 41.7-172.2 -77.2 126.2 7.4 -23.7 -1.4 48 48 A G E -G 197 0B 0 149,-2.9 149,-1.8 -2,-0.4 2,-0.4 -0.714 14.9-139.0-113.7 169.9 10.0 -20.9 -1.4 49 49 A T E -GH 196 66B 52 17,-2.6 17,-2.7 -2,-0.2 2,-0.4 -0.990 9.8-166.6-130.4 134.8 9.7 -17.1 -1.4 50 50 A A E -GH 195 65B 1 145,-2.8 145,-2.3 -2,-0.4 2,-0.4 -0.989 4.9-170.4-117.2 135.9 11.9 -14.6 -3.4 51 51 A H E -GH 194 64B 61 13,-2.8 13,-2.2 -2,-0.4 2,-0.4 -0.987 2.9-169.4-128.0 130.0 11.8 -10.9 -2.6 52 52 A I E +GH 193 63B 0 141,-3.5 141,-2.3 -2,-0.4 2,-0.3 -0.967 6.9 179.8-124.4 136.2 13.5 -8.3 -4.8 53 53 A I E +GH 192 62B 74 9,-2.7 9,-2.6 -2,-0.4 2,-0.3 -0.997 9.9 164.7-140.6 144.5 14.1 -4.6 -4.1 54 54 A Y E -G 191 0B 12 137,-2.2 137,-2.6 -2,-0.3 2,-0.3 -0.978 5.7-179.0-150.6 138.8 15.6 -1.5 -5.6 55 55 A N E >> -G 190 0B 49 5,-0.4 4,-1.9 -2,-0.3 5,-0.6 -0.988 32.5-129.0-134.4 156.9 15.4 2.2 -5.0 56 56 A S T 45S+ 0 0 21 133,-3.3 134,-0.1 -2,-0.3 26,-0.0 0.466 102.0 66.3 -79.1 -4.6 17.0 5.2 -6.8 57 57 A V T 45S+ 0 0 102 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.948 120.1 17.8 -77.3 -54.9 18.5 6.6 -3.5 58 58 A D T 45S- 0 0 109 2,-0.1 -2,-0.2 -3,-0.0 3,-0.1 0.665 90.7-148.2 -85.9 -20.6 20.9 3.7 -2.8 59 59 A K T <5 + 0 0 57 -4,-1.9 20,-1.9 1,-0.2 2,-0.4 0.928 49.1 138.4 49.3 53.0 20.8 2.4 -6.4 60 60 A R E < - I 0 78B 109 -5,-0.6 2,-0.6 18,-0.2 -5,-0.4 -0.986 46.1-149.5-132.9 121.3 21.3 -1.1 -5.1 61 61 A L E + I 0 77B 2 16,-2.6 16,-1.5 -2,-0.4 2,-0.3 -0.842 27.0 176.1 -96.9 123.5 19.4 -4.1 -6.5 62 62 A S E -HI 53 76B 18 -9,-2.6 -9,-2.7 -2,-0.6 2,-0.3 -0.917 13.3-172.9-130.8 152.3 19.0 -6.7 -3.7 63 63 A A E -HI 52 75B 1 12,-2.2 12,-2.1 -2,-0.3 2,-0.4 -0.994 6.3-165.9-144.2 146.1 17.2 -10.1 -3.5 64 64 A V E -HI 51 74B 47 -13,-2.2 -13,-2.8 -2,-0.3 2,-0.4 -0.999 6.3-171.8-133.9 131.8 16.4 -12.5 -0.7 65 65 A V E +HI 50 73B 2 8,-2.2 8,-2.3 -2,-0.4 2,-0.3 -0.982 18.7 156.9-126.5 132.3 15.2 -16.1 -1.3 66 66 A S E -H 49 0B 42 -17,-2.7 -17,-2.6 -2,-0.4 6,-0.1 -0.971 34.2-141.6-153.6 162.5 14.1 -18.3 1.6 67 67 A Y > - 0 0 10 -2,-0.3 3,-1.8 -19,-0.2 -19,-0.1 -0.940 50.2 -84.1-120.8 148.8 12.1 -21.3 2.8 68 68 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.217 114.0 9.4 -50.2 134.5 10.1 -21.4 6.1 69 69 A N T 3 S+ 0 0 181 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.676 111.0 98.5 66.7 18.7 12.4 -22.3 9.0 70 70 A A S < S- 0 0 43 -3,-1.8 2,-0.3 0, 0.0 -1,-0.2 -0.902 81.0 -92.9-127.5 163.6 15.7 -22.1 7.0 71 71 A D - 0 0 161 -2,-0.3 -30,-0.2 -3,-0.1 -4,-0.1 -0.559 45.3-122.5 -72.3 137.6 18.4 -19.4 6.6 72 72 A S - 0 0 67 -2,-0.3 2,-0.4 -6,-0.1 -6,-0.2 -0.274 10.3-134.2 -74.7 161.9 17.9 -17.1 3.7 73 73 A A E -I 65 0B 12 -8,-2.3 -8,-2.2 -35,-0.1 2,-0.3 -0.943 27.2-170.3-111.1 139.0 20.3 -16.5 0.8 74 74 A T E +I 64 0B 75 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.989 11.6 179.4-134.9 144.6 20.8 -12.8 -0.1 75 75 A V E +I 63 0B 5 -12,-2.1 -12,-2.2 -2,-0.3 2,-0.3 -0.995 4.1 177.9-142.7 141.8 22.6 -11.1 -3.0 76 76 A S E -I 62 0B 16 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.969 5.3-175.4-141.3 159.5 23.0 -7.3 -3.8 77 77 A Y E -I 61 0B 77 -16,-1.5 -16,-2.6 -2,-0.3 2,-0.4 -0.924 28.1-123.6-159.6 128.3 24.8 -5.3 -6.4 78 78 A D E +I 60 0B 107 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.636 47.9 152.1 -73.6 122.2 25.2 -1.6 -6.9 79 79 A V - 0 0 18 -20,-1.9 2,-1.0 -2,-0.4 3,-0.1 -0.963 44.5-137.2-155.0 135.4 23.8 -0.6 -10.3 80 80 A D > - 0 0 54 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 -0.845 17.3-167.3 -93.3 99.5 22.3 2.6 -11.7 81 81 A L G >> S+ 0 0 3 -2,-1.0 4,-2.7 1,-0.3 3,-1.9 0.763 79.8 75.5 -64.2 -22.7 19.3 1.3 -13.6 82 82 A D G 34 S+ 0 0 44 1,-0.3 -1,-0.3 2,-0.2 102,-0.1 0.749 101.0 44.5 -53.0 -26.7 18.9 4.7 -15.2 83 83 A N G <4 S+ 0 0 131 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.362 119.8 37.7-104.9 5.2 21.9 3.7 -17.3 84 84 A V T <4 S+ 0 0 29 -3,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.699 108.2 52.4-120.4 -47.6 20.9 0.2 -18.1 85 85 A L S < S- 0 0 5 -4,-2.7 -1,-0.2 1,-0.1 2,-0.1 -0.568 81.2-110.1 -97.9 154.7 17.2 0.0 -18.7 86 86 A P - 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