==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 13-OCT-04 1XQN . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR M.P.BLAKELEY,A.J.KALB-GILBOA,J.R.HELLIWELL,D.A.A.MYLES . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 67.9 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 . 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 2 1 1 3 2 1 2 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 . 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 0 131 0, 0.0 232,-0.0 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 167.3 48.3 22.8 29.2 2 2 A D - 0 0 43 218,-0.2 2,-0.5 230,-0.1 213,-0.0 -0.217 360.0-124.3 -66.8 164.6 48.2 24.9 26.0 3 3 A T - 0 0 41 2,-0.0 213,-0.8 26,-0.0 2,-0.4 -0.975 34.4-170.3-113.0 120.8 47.0 23.6 22.7 4 4 A I E +A 215 0A 3 -2,-0.5 26,-2.9 211,-0.2 2,-0.4 -0.943 23.2 177.9-122.8 132.7 49.6 24.0 20.0 5 5 A V E +AB 214 29A 2 209,-2.2 209,-2.7 -2,-0.4 2,-0.3 -0.994 29.1 165.9-121.1 130.0 49.6 23.6 16.2 6 6 A A E -AB 213 28A 2 22,-2.6 22,-3.5 -2,-0.4 2,-0.6 -0.994 42.0-142.1-148.1 154.3 53.0 24.6 14.7 7 7 A V E -AB 212 27A 5 205,-2.5 205,-2.1 -2,-0.3 2,-0.4 -0.985 35.7-155.5-110.0 117.0 55.2 24.5 11.7 8 8 A E E -AB 211 26A 0 18,-2.3 18,-2.1 -2,-0.6 2,-0.8 -0.789 23.1-159.1-101.9 137.8 58.8 24.0 12.9 9 9 A L E -AB 210 25A 1 201,-3.4 201,-1.8 -2,-0.4 2,-0.7 -0.912 29.3-166.6-104.4 94.6 62.0 25.0 11.3 10 10 A D E +AB 209 24A 2 14,-2.4 14,-2.3 -2,-0.8 199,-0.2 -0.778 19.1 177.5 -96.4 111.1 64.1 22.5 13.3 11 11 A T + 0 0 4 197,-1.2 198,-0.2 -2,-0.7 -1,-0.1 0.628 64.4 57.8 -88.2 -15.3 67.8 23.1 13.1 12 12 A Y S S- 0 0 50 196,-0.9 2,-0.6 10,-0.1 -1,-0.1 -0.953 78.2-131.9-124.8 122.2 69.1 20.5 15.5 13 13 A P - 0 0 40 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.549 20.0-176.9 -76.7 110.8 68.3 16.7 15.2 14 14 A N > > - 0 0 12 -2,-0.6 5,-1.7 1,-0.2 3,-1.6 -0.831 6.0-177.0-101.6 89.4 67.1 15.2 18.4 15 15 A T G > 5S+ 0 0 97 -2,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.759 72.8 64.1 -65.9 -25.3 66.8 11.6 17.3 16 16 A D G 3 5S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.641 103.5 48.5 -76.1 -11.0 65.4 10.2 20.5 17 17 A I G < 5S- 0 0 6 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.050 130.4 -90.8-111.1 26.3 62.3 12.3 20.1 18 18 A G T < 5S+ 0 0 58 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.391 76.6 145.2 89.4 -3.5 61.7 11.3 16.5 19 19 A D < - 0 0 8 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.403 52.8-115.4 -64.4 145.7 63.6 14.0 14.7 20 20 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 -6,-0.1 -0.304 37.5 -95.9 -69.5 167.9 65.3 12.8 11.5 21 21 A S S S+ 0 0 95 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.005 102.4 47.7 -82.5 33.6 69.2 13.0 11.6 22 22 A Y S S- 0 0 76 -2,-0.5 -8,-0.1 -10,-0.1 -10,-0.1 -0.965 103.3 -69.4-159.7 161.8 69.3 16.3 9.8 23 23 A P + 0 0 40 0, 0.0 17,-2.4 0, 0.0 2,-0.3 -0.340 65.0 172.1 -55.2 144.6 67.8 19.8 10.0 24 24 A H E -BC 10 39A 0 -14,-2.3 -14,-2.4 15,-0.3 2,-0.4 -0.967 36.7-121.6-154.2 160.9 64.1 19.5 8.9 25 25 A I E +BC 9 38A 0 13,-2.4 13,-2.0 -2,-0.3 2,-0.3 -0.889 39.7 177.9-105.1 145.7 60.8 21.2 8.6 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.3 -2,-0.4 2,-0.5 -0.972 32.9-127.3-147.9 159.1 57.9 19.7 10.4 27 27 A I E -BC 7 36A 0 9,-2.4 8,-2.5 -2,-0.3 9,-0.9 -0.956 27.7-162.2-109.3 123.5 54.2 19.9 11.2 28 28 A D E -B 6 0A 0 -22,-3.5 -22,-2.6 -2,-0.5 2,-0.6 -0.927 11.0-176.2-113.5 119.1 53.5 19.7 14.9 29 29 A I E S-B 5 0A 14 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.884 78.0 -39.2-115.9 96.9 50.0 18.9 16.2 30 30 A K S S+ 0 0 125 -26,-2.9 2,-0.3 -2,-0.6 -25,-0.1 0.618 127.5 70.8 64.6 15.4 49.9 19.0 20.0 31 31 A S S S- 0 0 9 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.973 76.5-133.6-159.5 143.9 53.3 17.4 20.2 32 32 A V S S+ 0 0 1 205,-0.6 2,-1.4 203,-0.4 204,-0.1 0.683 92.4 90.1 -69.5 -17.4 57.0 18.2 19.5 33 33 A R S S- 0 0 104 204,-0.5 -4,-0.3 -4,-0.1 -1,-0.1 -0.673 89.4-129.8 -82.2 94.6 57.1 14.8 17.8 34 34 A S - 0 0 28 -2,-1.4 -6,-0.2 1,-0.1 3,-0.1 -0.026 9.9-144.6 -49.4 142.6 56.1 16.0 14.3 35 35 A K S S+ 0 0 96 -8,-2.5 2,-0.3 1,-0.3 -1,-0.1 0.717 89.5 10.3 -76.8 -22.5 53.3 14.2 12.5 36 36 A K E -C 27 0A 97 -9,-0.9 -9,-2.4 41,-0.1 -1,-0.3 -0.970 69.8-178.6-157.1 139.7 55.3 14.9 9.3 37 37 A T E -C 26 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.909 8.2-164.5-134.7 165.5 58.8 16.1 8.4 38 38 A A E -C 25 0A 23 -13,-2.0 -13,-2.4 -2,-0.3 2,-0.1 -0.983 38.4 -92.7-146.2 148.8 60.9 16.9 5.3 39 39 A K E -C 24 0A 101 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.372 39.0-160.6 -62.8 136.0 64.6 17.4 5.0 40 40 A W - 0 0 6 -17,-2.4 2,-2.1 -30,-0.1 26,-0.1 -0.966 14.5-148.7-125.5 115.9 65.6 21.1 5.2 41 41 A N - 0 0 113 -2,-0.5 -17,-0.1 30,-0.1 -2,-0.0 -0.493 27.9-163.7 -83.0 72.6 68.9 22.2 3.9 42 42 A M - 0 0 32 -2,-2.1 2,-0.6 1,-0.1 25,-0.0 -0.288 6.2-148.3 -60.4 135.5 69.3 25.0 6.4 43 43 A Q > - 0 0 75 3,-0.2 3,-1.7 156,-0.0 156,-0.3 -0.933 12.7-131.6-115.0 111.6 72.0 27.7 5.6 44 44 A N T 3 S+ 0 0 52 -2,-0.6 156,-0.2 1,-0.2 3,-0.1 -0.382 89.2 7.9 -60.1 122.0 73.8 29.3 8.4 45 45 A G T 3 S+ 0 0 29 154,-2.9 2,-0.3 1,-0.3 -1,-0.2 0.429 100.2 113.4 88.8 -0.2 73.8 33.1 8.1 46 46 A K < - 0 0 114 -3,-1.7 153,-0.7 153,-0.4 2,-0.4 -0.817 69.5-114.3-106.1 148.2 71.4 33.4 5.1 47 47 A V E -H 198 0B 59 -2,-0.3 2,-0.2 151,-0.2 151,-0.2 -0.672 40.4-176.2 -79.4 126.1 68.0 35.0 5.1 48 48 A G E -H 197 0B 0 149,-2.5 149,-2.2 -2,-0.4 2,-0.4 -0.722 16.1-139.3-118.8 168.4 65.3 32.5 4.4 49 49 A T E -HI 196 66B 35 17,-2.4 17,-2.2 -2,-0.2 2,-0.4 -0.995 10.1-165.8-135.9 132.6 61.5 32.6 3.9 50 50 A A E -HI 195 65B 2 145,-2.6 145,-2.1 -2,-0.4 2,-0.4 -0.921 2.8-164.6-116.6 141.5 58.8 30.2 5.1 51 51 A H E -HI 194 64B 80 13,-3.0 13,-2.2 -2,-0.4 2,-0.4 -0.972 2.6-170.1-124.1 140.3 55.2 30.1 4.0 52 52 A I E +HI 193 63B 1 141,-2.7 141,-2.6 -2,-0.4 2,-0.3 -0.996 8.8 178.0-130.9 133.5 52.3 28.3 5.8 53 53 A I E +HI 192 62B 92 9,-2.6 9,-2.5 -2,-0.4 2,-0.3 -0.981 6.8 159.0-138.2 151.6 48.8 27.8 4.3 54 54 A Y E -H 191 0B 15 137,-1.9 137,-2.4 -2,-0.3 2,-0.3 -0.963 11.1-173.4-163.8 145.9 45.6 26.1 5.3 55 55 A N E >> -H 190 0B 41 5,-0.3 4,-2.1 -2,-0.3 5,-0.5 -0.988 30.5-126.8-143.9 155.2 41.9 26.1 4.5 56 56 A S T 45S+ 0 0 17 133,-3.0 134,-0.1 -2,-0.3 26,-0.1 0.575 104.8 58.6 -77.5 -11.5 38.9 24.4 6.2 57 57 A V T 45S+ 0 0 90 132,-0.4 -1,-0.2 1,-0.1 133,-0.1 0.937 118.2 28.4 -79.1 -50.5 37.6 22.8 2.9 58 58 A D T 45S- 0 0 109 2,-0.1 -2,-0.2 20,-0.0 3,-0.1 0.758 89.3-152.5 -81.1 -27.4 40.8 20.8 2.2 59 59 A K T <5 + 0 0 71 -4,-2.1 20,-1.7 1,-0.2 2,-0.4 0.924 47.0 133.1 53.0 51.8 41.9 20.5 5.8 60 60 A R E < - J 0 78B 117 -5,-0.5 2,-0.6 18,-0.2 -5,-0.3 -0.982 47.1-150.7-135.3 120.1 45.6 20.2 4.9 61 61 A L E + J 0 77B 3 16,-2.7 16,-2.0 -2,-0.4 2,-0.3 -0.822 27.2 177.7 -92.3 121.3 48.3 22.2 6.7 62 62 A S E -IJ 53 76B 21 -9,-2.5 -9,-2.6 -2,-0.6 2,-0.3 -0.930 12.8-175.1-128.4 152.0 51.1 22.9 4.3 63 63 A A E -IJ 52 75B 2 12,-2.4 12,-2.1 -2,-0.3 2,-0.4 -0.995 6.5-168.4-144.7 150.2 54.4 24.8 4.5 64 64 A V E -IJ 51 74B 53 -13,-2.2 -13,-3.0 -2,-0.3 2,-0.4 -0.997 6.9-173.0-136.9 138.8 57.3 25.7 2.1 65 65 A V E +IJ 50 73B 1 8,-2.4 8,-2.2 -2,-0.4 2,-0.3 -0.993 13.5 156.5-133.8 141.1 60.7 27.1 3.0 66 66 A S E -I 49 0B 34 -17,-2.2 -17,-2.4 -2,-0.4 6,-0.1 -0.930 28.9-141.2-151.2 173.6 63.4 28.4 0.8 67 67 A Y > - 0 0 10 4,-0.3 3,-1.7 -2,-0.3 -19,-0.1 -0.945 45.8 -87.1-132.0 155.2 66.5 30.6 0.4 68 68 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.355 116.0 17.9 -59.4 144.2 67.4 32.7 -2.6 69 69 A N T 3 S+ 0 0 178 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.545 114.0 95.5 68.9 9.7 69.4 30.6 -5.2 70 70 A A S < S- 0 0 40 -3,-1.7 -3,-0.3 1,-0.0 -1,-0.2 -0.929 77.3-105.1-132.3 156.4 68.2 27.4 -3.6 71 71 A D - 0 0 155 -2,-0.3 -4,-0.3 1,-0.1 2,-0.1 -0.294 42.2-114.2 -67.4 160.5 65.6 24.8 -4.0 72 72 A S - 0 0 78 -6,-0.1 2,-0.4 -32,-0.0 -6,-0.2 -0.433 14.2-142.4 -93.0 168.0 62.6 24.7 -1.5 73 73 A A E -J 65 0B 13 -8,-2.2 -8,-2.4 -2,-0.1 2,-0.3 -0.958 22.9-172.5-123.8 146.6 61.6 22.2 1.1 74 74 A T E -J 64 0B 80 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.988 13.0-176.4-143.8 153.9 58.0 21.4 1.7 75 75 A V E -J 63 0B 7 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.3 -0.995 4.1-175.1-147.7 146.0 55.8 19.4 4.1 76 76 A S E -J 62 0B 22 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.992 3.0-174.4-142.7 148.3 52.0 18.8 4.3 77 77 A Y E -J 61 0B 77 -16,-2.0 -16,-2.7 -2,-0.3 2,-0.6 -0.977 25.9-128.0-146.5 131.2 49.7 17.0 6.8 78 78 A D E +J 60 0B 104 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.701 49.5 143.9 -80.6 117.8 46.0 16.3 6.6 79 79 A V - 0 0 18 -20,-1.7 2,-1.0 -2,-0.6 -2,-0.1 -0.958 50.1-133.8-156.2 131.6 44.4 17.6 9.7 80 80 A D > - 0 0 39 -2,-0.3 3,-2.0 1,-0.2 4,-0.3 -0.804 20.7-163.8 -86.8 104.2 41.0 19.2 10.5 81 81 A L G >> S+ 0 0 2 -2,-1.0 4,-3.2 1,-0.3 3,-1.1 0.729 83.6 68.2 -65.7 -18.9 42.2 22.2 12.6 82 82 A D G 34 S+ 0 0 43 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.654 99.6 51.9 -72.5 -12.0 38.7 22.7 13.9 83 83 A N G <4 S+ 0 0 131 -3,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.443 119.7 34.1 -97.7 -5.0 39.1 19.4 15.7 84 84 A V T <4 S+ 0 0 25 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.751 114.4 48.2-113.7 -48.8 42.4 20.5 17.3 85 85 A L S < S- 0 0 11 -4,-3.2 -1,-0.2 1,-0.1 4,-0.1 -0.598 81.2-109.0 -99.6 155.9 42.2 24.2 18.0 86 86 A P - 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