==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 01-DEC-03 1V6I . COMPND 2 MOLECULE: GALACTOSE-BINDING LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; . AUTHOR S.KUNDHAVAI NATCHIAR,A.AROCKIA JEYAPRAKASH,T.N.C.RAMYA, . 928 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 397 42.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 136 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 4 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 . 4 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 4 16 7 1 0 4 0 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 8 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 58 0, 0.0 2,-0.7 0, 0.0 241,-0.3 0.000 360.0 360.0 360.0 140.8 18.0 10.7 40.6 2 2 A E E -A 229 0A 12 227,-2.7 227,-2.7 239,-0.1 2,-0.4 -0.922 360.0-176.6-108.0 111.9 20.3 13.7 40.4 3 3 A T E -A 228 0A 26 -2,-0.7 2,-0.4 237,-0.3 237,-0.3 -0.912 18.2-175.3-119.6 137.7 23.9 12.6 39.9 4 4 A V E +A 227 0A 16 223,-2.2 223,-2.5 -2,-0.4 2,-0.3 -0.996 19.4 160.0-125.6 127.6 27.2 14.5 39.6 5 5 A S E +A 226 0A 37 -2,-0.4 2,-0.3 233,-0.3 233,-0.3 -0.995 8.2 165.5-150.8 146.6 30.4 12.6 38.8 6 6 A F E -A 225 0A 23 219,-1.9 219,-2.6 -2,-0.3 2,-0.4 -0.964 18.1-150.2-153.8 161.3 33.8 13.4 37.5 7 7 A N E -A 224 0A 63 229,-0.3 2,-0.6 -2,-0.3 229,-0.3 -0.947 7.3-173.2-144.6 118.9 37.2 11.7 37.3 8 8 A F E +A 223 0A 16 215,-3.1 215,-2.5 -2,-0.4 3,-0.1 -0.953 15.3 165.6-115.4 115.5 40.6 13.3 37.3 9 9 A N S S+ 0 0 92 -2,-0.6 2,-0.3 1,-0.4 -1,-0.1 0.552 82.3 1.4 -97.8 -15.0 43.6 11.0 36.6 10 10 A S S S- 0 0 42 224,-0.2 -1,-0.4 -3,-0.1 2,-0.3 -0.956 74.8-128.5-162.5 162.4 45.7 14.1 36.0 11 11 A F - 0 0 10 19,-2.5 2,-0.3 -2,-0.3 224,-0.0 -0.901 16.3-168.5-124.0 152.5 45.2 17.9 36.2 12 12 A S > - 0 0 25 -2,-0.3 3,-1.1 222,-0.0 2,-0.1 -0.978 28.7-108.0-138.5 149.8 45.9 20.7 33.7 13 13 A E T 3 S+ 0 0 132 -2,-0.3 12,-0.0 1,-0.2 0, 0.0 -0.479 103.0 34.2 -73.6 147.4 45.9 24.4 33.9 14 14 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.2 -2,-0.1 272,-0.0 0.306 75.9 138.6 92.6 -12.2 43.1 26.1 32.1 15 15 A N X - 0 0 9 -3,-1.1 3,-1.7 1,-0.2 -1,-0.3 -0.583 45.2-152.5 -70.2 115.1 40.5 23.4 32.8 16 16 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.2 0, 0.0 269,-0.1 0.631 88.5 71.4 -64.6 -13.3 37.3 25.3 33.7 17 17 A A T 3 S+ 0 0 5 32,-0.1 32,-3.1 266,-0.1 2,-0.4 0.591 94.7 65.0 -79.2 -8.6 36.1 22.4 35.8 18 18 A I E < -H 48 0B 10 -3,-1.7 2,-0.4 30,-0.2 30,-0.2 -0.951 65.4-157.9-122.9 135.5 38.8 23.3 38.4 19 19 A N E -H 47 0B 53 28,-2.8 28,-2.4 -2,-0.4 2,-0.4 -0.913 10.5-155.2-108.9 132.9 39.2 26.4 40.6 20 20 A F E -H 46 0B 77 -2,-0.4 2,-0.4 26,-0.2 26,-0.2 -0.891 11.4-178.0-110.2 136.7 42.6 27.3 42.1 21 21 A Q E -H 45 0B 21 24,-2.8 24,-3.0 -2,-0.4 2,-0.1 -0.998 51.1 -16.7-133.4 137.2 43.1 29.4 45.2 22 22 A G E S-H 44 0B 50 -2,-0.4 2,-1.4 22,-0.2 22,-0.3 -0.368 120.5 -6.4 75.5-150.2 46.3 30.5 46.8 23 23 A D S S+ 0 0 33 20,-3.3 2,-0.2 11,-0.1 -1,-0.2 -0.171 85.4 146.1 -79.6 44.9 49.7 28.9 46.0 24 24 A V - 0 0 27 -2,-1.4 2,-0.3 21,-0.2 10,-0.2 -0.579 21.7-179.8 -84.3 145.6 48.5 26.1 43.8 25 25 A T E -B 33 0A 56 8,-1.9 8,-3.1 -2,-0.2 2,-0.6 -0.997 23.8-135.6-144.3 143.8 50.6 24.9 40.9 26 26 A V E -B 32 0A 22 -2,-0.3 6,-0.2 6,-0.2 -13,-0.1 -0.904 24.1-143.1-104.3 117.2 50.2 22.2 38.3 27 27 A L > - 0 0 51 4,-2.8 3,-1.8 -2,-0.6 -16,-0.1 -0.293 24.9-109.5 -73.3 161.4 53.3 20.1 37.7 28 28 A S T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.726 117.4 62.4 -65.1 -21.8 54.2 18.9 34.2 29 29 A N T 3 S- 0 0 100 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.475 122.1-104.8 -82.9 -0.3 53.4 15.3 35.2 30 30 A G S < S+ 0 0 9 -3,-1.8 -19,-2.5 1,-0.3 2,-0.1 0.341 80.0 130.7 96.2 -7.8 49.8 16.4 35.8 31 31 A N - 0 0 18 -21,-0.2 -4,-2.8 -5,-0.1 2,-0.5 -0.459 54.8-129.2 -78.7 152.3 50.0 16.4 39.6 32 32 A I E -BC 26 220A 0 188,-2.4 188,-2.2 -6,-0.2 2,-0.6 -0.879 12.8-156.2-103.7 131.9 48.8 19.4 41.6 33 33 A Q E -BC 25 219A 31 -8,-3.1 -8,-1.9 -2,-0.5 186,-0.2 -0.948 5.1-162.7-108.7 117.8 51.2 20.8 44.2 34 34 A L + 0 0 0 184,-2.5 2,-0.3 -2,-0.6 174,-0.2 0.863 62.6 38.9 -71.8 -41.2 49.2 22.7 46.9 35 35 A T S S- 0 0 4 183,-0.3 2,-0.6 181,-0.2 183,-0.2 -0.738 75.5-117.8-114.6 164.4 51.7 24.9 48.7 36 36 A N > - 0 0 59 -2,-0.3 3,-1.6 1,-0.1 6,-0.2 -0.877 16.5-151.3 -99.0 117.6 54.7 27.0 47.7 37 37 A L T 3 S+ 0 0 40 -2,-0.6 -1,-0.1 1,-0.3 180,-0.0 0.626 93.8 52.2 -62.7 -15.3 57.9 25.7 49.3 38 38 A N T 3 S+ 0 0 142 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.333 93.6 87.1-105.3 6.9 59.4 29.3 49.2 39 39 A K S X S- 0 0 94 -3,-1.6 3,-0.8 -16,-0.1 2,-0.3 -0.852 73.9-123.6-112.2 145.7 56.6 31.1 51.0 40 40 A V T 3 S+ 0 0 76 -2,-0.4 172,-0.2 1,-0.3 171,-0.1 -0.624 97.1 3.3 -80.2 139.3 56.0 31.7 54.7 41 41 A N T 3 S- 0 0 62 -2,-0.3 -1,-0.3 1,-0.2 170,-0.2 0.904 91.4-167.9 51.1 48.1 52.5 30.5 55.8 42 42 A S < - 0 0 3 -3,-0.8 168,-1.9 169,-0.3 2,-0.4 -0.429 9.2-174.0 -70.6 139.9 51.8 29.1 52.3 43 43 A V E + I 0 209B 10 166,-0.2 -20,-3.3 -2,-0.1 2,-0.3 -1.000 6.9 173.3-137.0 135.3 48.2 28.1 51.5 44 44 A G E +HI 22 208B 0 164,-2.2 164,-2.0 -2,-0.4 2,-0.3 -0.998 2.5 178.5-143.3 137.0 46.8 26.4 48.4 45 45 A R E -HI 21 207B 2 -24,-3.0 -24,-2.8 -2,-0.3 2,-0.4 -0.995 11.0-164.2-141.4 145.4 43.4 25.0 47.6 46 46 A V E -HI 20 206B 5 160,-2.2 160,-2.3 -2,-0.3 2,-0.3 -0.994 14.6-174.8-128.7 135.2 41.8 23.3 44.6 47 47 A L E -HI 19 205B 2 -28,-2.4 -28,-2.8 -2,-0.4 2,-0.5 -0.951 36.8-106.1-132.2 150.7 38.1 23.0 44.2 48 48 A Y E -H 18 0B 9 156,-2.7 156,-0.3 -2,-0.3 -30,-0.2 -0.661 39.4-136.5 -71.2 123.1 35.7 21.3 41.8 49 49 A A S S+ 0 0 16 -32,-3.1 -1,-0.2 -2,-0.5 -31,-0.1 0.742 79.2 77.4 -58.1 -29.0 34.5 24.4 40.0 50 50 A M S S- 0 0 11 -33,-0.4 154,-0.3 154,-0.0 2,-0.1 -0.687 83.1-123.3 -89.6 131.2 30.8 23.5 39.9 51 51 A P - 0 0 23 0, 0.0 2,-0.5 0, 0.0 152,-0.2 -0.474 24.7-142.9 -70.5 143.0 28.7 23.8 43.1 52 52 A V E -J 202 0B 2 150,-3.5 150,-2.5 -2,-0.1 2,-1.1 -0.921 7.2-135.2-110.6 131.5 27.0 20.6 44.1 53 53 A R E +J 201 0B 30 -2,-0.5 148,-0.2 148,-0.2 147,-0.1 -0.733 27.0 176.4 -84.3 100.0 23.5 20.5 45.6 54 54 A I + 0 0 2 146,-1.8 9,-3.5 -2,-1.1 2,-0.3 0.631 64.5 15.1 -82.4 -15.9 24.0 18.1 48.5 55 55 A W B S-O 62 0C 40 145,-0.8 2,-0.5 7,-0.3 7,-0.2 -0.986 70.1-128.8-155.7 151.2 20.5 18.4 49.9 56 56 A S > - 0 0 7 5,-2.1 4,-2.6 -2,-0.3 5,-0.1 -0.896 2.2-159.2-108.5 129.4 17.1 19.7 48.8 57 57 A S T 4 S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.730 95.7 59.9 -72.2 -21.3 15.0 22.2 50.8 58 58 A A T 4 S+ 0 0 89 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.916 124.7 12.4 -73.0 -45.7 12.0 20.9 48.8 59 59 A T T 4 S- 0 0 64 2,-0.1 -2,-0.2 173,-0.0 -1,-0.1 0.641 91.4-128.8-106.6 -21.9 12.2 17.3 49.7 60 60 A G < + 0 0 21 -4,-2.6 -3,-0.1 1,-0.3 2,-0.1 0.470 58.0 147.0 84.6 0.3 14.6 17.4 52.6 61 61 A N - 0 0 48 169,-0.1 -5,-2.1 -5,-0.1 2,-0.4 -0.401 37.4-148.8 -71.4 147.2 16.6 14.6 51.0 62 62 A V B -O 55 0C 18 -7,-0.2 168,-0.3 -3,-0.1 -7,-0.3 -0.928 18.8-116.8-116.7 141.4 20.4 14.5 51.4 63 63 A A - 0 0 3 -9,-3.5 2,-0.3 -2,-0.4 166,-0.2 -0.411 16.7-141.6 -77.7 152.1 22.7 13.2 48.8 64 64 A S E -D 228 0A 9 164,-2.3 164,-2.5 820,-0.2 2,-0.3 -0.782 24.9-169.7-103.7 153.5 25.0 10.2 49.3 65 65 A F E -DE 227 167A 1 102,-1.7 102,-2.9 -2,-0.3 2,-0.4 -0.997 20.4-160.6-149.0 154.1 28.4 10.3 47.8 66 66 A L E +DE 226 166A 22 160,-2.8 160,-1.9 -2,-0.3 2,-0.3 -0.999 21.4 168.0-131.8 126.5 31.4 8.1 47.1 67 67 A T E -DE 225 165A 2 98,-2.5 98,-3.2 -2,-0.4 2,-0.4 -1.000 13.0-173.9-144.7 141.1 34.8 9.6 46.4 68 68 A S E +DE 224 164A 43 156,-1.8 156,-2.7 -2,-0.3 2,-0.3 -0.984 11.8 165.6-133.0 145.4 38.4 8.3 46.2 69 69 A F E -DE 223 163A 5 94,-1.9 94,-2.7 -2,-0.4 2,-0.4 -0.987 22.8-142.2-154.3 157.6 41.6 10.2 45.8 70 70 A S E +DE 222 162A 12 152,-1.5 151,-2.8 -2,-0.3 152,-1.3 -0.977 22.2 172.5-127.2 140.8 45.4 9.7 46.1 71 71 A F E -DE 220 161A 2 90,-1.8 90,-2.8 -2,-0.4 2,-0.3 -0.874 16.5-149.5-138.1 171.5 47.9 12.2 47.4 72 72 A E E -DE 219 160A 17 147,-2.2 147,-3.0 -2,-0.3 2,-0.4 -0.989 3.4-166.3-148.2 135.5 51.5 12.3 48.3 73 73 A M E -D 218 0A 3 86,-0.6 85,-2.7 83,-0.4 86,-0.5 -0.983 12.3-173.8-121.8 133.4 53.5 14.3 50.9 74 74 A K E -D 217 0A 88 143,-1.6 143,-3.0 -2,-0.4 83,-0.1 -0.995 22.2-122.3-133.8 133.6 57.2 14.4 50.8 75 75 A D - 0 0 87 -2,-0.4 2,-0.3 141,-0.2 141,-0.1 -0.300 23.8-156.4 -67.1 151.2 59.7 16.0 53.2 76 76 A I - 0 0 38 139,-0.5 2,-0.5 3,-0.3 3,-0.4 -0.874 35.5 -69.2-122.4 163.2 62.1 18.6 52.0 77 77 A K S S- 0 0 176 -2,-0.3 3,-0.1 1,-0.3 139,-0.0 -0.821 103.7 -15.3 -93.7 128.4 65.5 19.6 53.5 78 78 A D S S+ 0 0 126 -2,-0.5 -1,-0.3 1,-0.1 2,-0.1 -0.617 98.9 99.7-134.2 48.5 65.4 20.9 56.1 79 79 A Y S S- 0 0 87 -3,-0.4 -3,-0.3 136,-0.1 135,-0.2 -0.477 71.8-100.6 -89.8 164.6 62.0 22.3 57.1 80 80 A D B -p 214 0D 95 133,-2.8 135,-2.8 -2,-0.1 2,-0.5 -0.600 41.5-114.8 -80.0 141.7 59.5 20.6 59.5 81 81 A P + 0 0 40 0, 0.0 2,-0.2 0, 0.0 135,-0.1 -0.882 52.5 172.9-123.0 106.2 56.7 18.8 57.7 82 82 A A + 0 0 1 -2,-0.5 2,-0.1 127,-0.1 129,-0.1 -0.370 22.8 12.4 82.4 98.5 54.1 20.4 58.4 83 83 A D - 0 0 5 -2,-0.2 41,-1.8 132,-0.2 42,-0.6 -0.942 59.9-143.1-119.5 -25.0 51.3 20.8 58.0 84 84 A G E -KL 123 209B 0 125,-0.6 125,-0.9 39,-0.2 2,-0.3 -0.736 21.7 -77.6 131.9-179.6 49.1 18.4 56.0 85 85 A I E -KL 122 208B 0 37,-1.6 37,-3.0 -2,-0.2 2,-0.4 -0.921 28.9-162.8-123.4 145.6 46.2 18.1 53.6 86 86 A I E -KL 121 207B 0 121,-2.6 121,-2.2 -2,-0.3 2,-0.6 -0.996 11.9-149.6-133.0 131.4 42.4 18.3 54.2 87 87 A F E -KL 120 206B 2 33,-2.8 33,-2.6 -2,-0.4 2,-0.3 -0.880 38.0-178.9 -93.2 120.1 39.6 17.1 51.9 88 88 A F E -KL 119 205B 2 117,-2.7 117,-2.0 -2,-0.6 2,-0.4 -0.856 35.8-152.7-132.3 164.8 36.7 19.5 52.5 89 89 A I E +KL 118 204B 4 29,-2.9 29,-2.3 -2,-0.3 115,-0.2 -0.998 33.7 157.9-127.0 127.7 33.2 20.5 51.8 90 90 A A E - 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