==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 31-JUL-06 2DVF . COMPND 2 MOLECULE: GALACTOSE-BINDING LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; . AUTHOR S.K.NATCHIAR,O.SRINIVAS,N.MITRA,A.SUROLIA,N.JAYARAMAN, . 928 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 660 71.1 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 . 398 42.9 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 . 128 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 1.9 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 6 2 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 57 0, 0.0 2,-0.6 0, 0.0 241,-0.3 0.000 360.0 360.0 360.0 92.0 79.9 51.9 35.4 2 2 A E E +A 229 0A 12 227,-3.0 227,-3.0 239,-0.1 2,-0.4 -0.825 360.0 178.2 -96.6 118.8 82.3 49.0 35.4 3 3 A T E -A 228 0A 28 -2,-0.6 2,-0.4 237,-0.2 237,-0.3 -0.959 21.5-171.6-131.4 141.0 85.9 50.0 35.9 4 4 A V E +A 227 0A 18 223,-1.9 223,-2.7 -2,-0.4 2,-0.3 -0.987 20.1 162.5-124.0 130.3 89.3 48.3 36.2 5 5 A S E +A 226 0A 42 -2,-0.4 2,-0.3 233,-0.2 233,-0.2 -0.977 3.8 160.8-154.1 137.9 92.4 50.4 37.0 6 6 A F E -A 225 0A 25 219,-2.0 219,-2.2 -2,-0.3 2,-0.4 -0.971 20.4-149.4-151.4 163.3 95.9 49.6 38.3 7 7 A N E -A 224 0A 59 229,-0.3 2,-0.6 -2,-0.3 217,-0.2 -0.938 6.4-173.5-145.7 118.2 99.3 51.2 38.6 8 8 A F E +A 223 0A 14 215,-3.2 215,-2.4 -2,-0.4 3,-0.1 -0.953 12.1 169.2-111.6 115.6 102.7 49.4 38.6 9 9 A N S S- 0 0 88 -2,-0.6 2,-0.3 1,-0.4 -1,-0.1 0.542 82.8 -0.3 -96.6 -12.7 105.6 51.7 39.2 10 10 A S S S- 0 0 37 224,-0.2 -1,-0.4 213,-0.1 2,-0.2 -0.948 75.0-134.8-164.5 162.6 107.7 48.6 39.6 11 11 A F - 0 0 8 19,-1.9 2,-0.3 -2,-0.3 224,-0.0 -0.713 13.2-172.1-122.2 175.2 107.1 44.8 39.5 12 12 A S > - 0 0 22 -2,-0.2 3,-1.7 3,-0.1 6,-0.1 -0.894 31.9-112.3-167.9 134.7 108.1 41.8 41.5 13 13 A E T 3 S+ 0 0 142 -2,-0.3 12,-0.0 1,-0.2 -2,-0.0 -0.503 106.6 46.3 -67.6 143.1 107.7 38.1 41.0 14 14 A G T 3 S+ 0 0 36 1,-0.3 -1,-0.2 4,-0.2 3,-0.0 0.127 75.6 125.7 108.7 -21.8 105.2 36.9 43.6 15 15 A N X - 0 0 7 -3,-1.7 3,-2.2 1,-0.2 -1,-0.3 -0.643 54.7-150.1 -74.3 108.0 102.8 39.7 42.9 16 16 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.2 0, 0.0 269,-0.1 0.688 88.8 72.2 -52.7 -22.3 99.5 37.8 42.2 17 17 A A T 3 S+ 0 0 5 32,-0.1 32,-3.0 31,-0.1 2,-0.4 0.556 90.2 74.2 -74.0 -6.5 98.3 40.5 39.9 18 18 A I E < -H 48 0B 13 -3,-2.2 2,-0.6 30,-0.2 30,-0.2 -0.911 63.4-154.9-117.5 138.9 100.9 39.5 37.3 19 19 A N E -H 47 0B 43 28,-3.3 28,-2.3 -2,-0.4 2,-0.6 -0.931 13.3-158.4-108.2 118.8 101.0 36.5 34.9 20 20 A F E -H 46 0B 77 -2,-0.6 2,-0.4 26,-0.2 26,-0.2 -0.866 11.8-177.6-101.3 123.0 104.5 35.5 33.8 21 21 A Q E > -H 45 0B 18 24,-2.7 24,-2.6 -2,-0.6 3,-0.6 -0.969 47.2 -25.5-122.6 134.2 104.8 33.5 30.6 22 22 A G E 3 S-H 44 0B 59 -2,-0.4 22,-0.3 22,-0.2 13,-0.1 -0.426 121.2 -4.1 76.9-143.8 108.0 32.1 29.0 23 23 A D T 3 S+ 0 0 29 20,-3.1 21,-0.2 -2,-0.1 -1,-0.2 0.293 89.9 142.3 -73.1 10.4 111.5 33.5 29.5 24 24 A V < + 0 0 23 -3,-0.6 2,-0.3 19,-0.2 10,-0.2 -0.214 23.9 176.2 -58.0 142.4 110.2 36.5 31.6 25 25 A T E -B 33 0A 59 8,-2.1 8,-3.1 10,-0.1 2,-0.5 -0.954 24.2-134.0-143.2 158.7 112.3 37.6 34.5 26 26 A V E -B 32 0A 20 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.973 21.5-140.1-119.9 128.0 112.1 40.4 37.1 27 27 A L > - 0 0 56 4,-2.7 3,-2.9 -2,-0.5 -16,-0.2 -0.518 27.5-106.6 -89.1 155.8 115.2 42.4 37.9 28 28 A S T 3 S+ 0 0 140 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.451 118.4 60.5 -56.8 0.0 116.3 43.7 41.4 29 29 A N T 3 S- 0 0 92 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.299 120.5-103.0-110.8 6.8 115.2 47.1 40.3 30 30 A G S < S+ 0 0 9 -3,-2.9 -19,-1.9 1,-0.3 -2,-0.1 0.251 80.2 132.0 91.6 -14.6 111.5 46.3 39.7 31 31 A N - 0 0 15 -21,-0.2 -4,-2.7 -5,-0.1 2,-0.5 -0.347 54.3-132.2 -70.0 152.3 112.0 46.2 35.9 32 32 A I E -BC 26 220A 0 188,-1.5 188,-2.5 -6,-0.2 2,-0.7 -0.920 12.3-157.3-106.0 131.1 110.6 43.3 34.0 33 33 A Q E -BC 25 219A 30 -8,-3.1 -8,-2.1 -2,-0.5 186,-0.2 -0.933 5.7-168.3-110.8 107.6 112.9 41.7 31.4 34 34 A L + 0 0 0 184,-1.9 2,-0.2 -2,-0.7 -1,-0.2 0.878 61.9 47.6 -64.0 -44.3 110.8 39.9 28.9 35 35 A T S S- 0 0 4 183,-0.4 2,-0.6 181,-0.2 183,-0.2 -0.677 74.4-124.7-107.2 158.6 113.5 37.9 27.0 36 36 A N > - 0 0 59 -2,-0.2 3,-1.4 3,-0.2 6,-0.2 -0.881 17.1-148.5 -97.7 121.2 116.4 35.6 28.0 37 37 A L T 3 S+ 0 0 40 -2,-0.6 -1,-0.1 1,-0.3 5,-0.0 0.676 94.6 46.1 -63.6 -20.9 119.6 36.8 26.4 38 38 A N T 3 S+ 0 0 135 2,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.121 92.9 93.1-110.9 20.8 121.1 33.3 26.1 39 39 A K S X S- 0 0 97 -3,-1.4 3,-1.2 172,-0.1 -3,-0.2 -0.962 72.5-128.5-120.9 121.9 118.0 31.5 24.7 40 40 A V T 3 S+ 0 0 76 -2,-0.5 172,-0.2 1,-0.3 171,-0.1 -0.344 95.2 7.8 -61.2 142.2 117.5 31.0 21.0 41 41 A N T 3 S- 0 0 64 1,-0.2 -1,-0.3 173,-0.1 170,-0.2 0.844 93.5-168.1 50.5 39.5 114.0 32.2 19.8 42 42 A S < - 0 0 3 -3,-1.2 168,-1.8 169,-0.3 2,-0.4 -0.239 10.6-175.2 -59.3 140.4 113.4 33.6 23.3 43 43 A V E + I 0 209B 8 166,-0.2 -20,-3.1 59,-0.1 2,-0.4 -0.983 7.4 169.7-142.9 128.5 109.9 34.6 24.1 44 44 A G E +HI 22 208B 0 164,-2.2 164,-2.2 -2,-0.4 2,-0.3 -0.999 3.7 176.3-140.7 136.5 108.7 36.3 27.3 45 45 A R E -HI 21 207B 3 -24,-2.6 -24,-2.7 -2,-0.4 2,-0.4 -0.975 14.0-157.2-139.4 152.9 105.3 37.9 28.1 46 46 A V E -HI 20 206B 4 160,-2.2 160,-2.2 -2,-0.3 2,-0.3 -0.987 15.5-170.9-130.5 139.3 103.7 39.5 31.1 47 47 A L E -HI 19 205B 2 -28,-2.3 -28,-3.3 -2,-0.4 2,-0.6 -0.972 33.3-110.0-134.4 148.9 100.0 39.8 31.6 48 48 A Y E -H 18 0B 8 156,-2.6 -30,-0.2 -2,-0.3 156,-0.2 -0.669 35.1-141.0 -72.9 119.5 97.6 41.5 34.0 49 49 A A S S+ 0 0 13 -32,-3.0 -1,-0.2 -2,-0.6 -31,-0.1 0.869 80.0 77.7 -51.9 -45.4 96.3 38.5 35.9 50 50 A M S S- 0 0 21 -33,-0.4 154,-0.3 1,-0.1 2,-0.2 -0.540 86.0-126.0 -73.6 120.9 92.7 39.7 36.2 51 51 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 152,-0.2 -0.499 23.4-138.7 -69.5 130.7 90.8 39.2 32.9 52 52 A V E -J 202 0B 3 150,-2.8 150,-3.5 -2,-0.2 2,-1.0 -0.723 3.7-136.8 -92.5 138.9 89.2 42.4 31.8 53 53 A R E +J 201 0B 28 -2,-0.4 148,-0.2 148,-0.2 147,-0.1 -0.798 24.1 178.5 -95.6 98.6 85.7 42.5 30.3 54 54 A I + 0 0 3 146,-1.9 9,-3.5 -2,-1.0 2,-0.3 0.652 63.1 13.4 -78.0 -16.6 86.0 44.7 27.3 55 55 A W B -O 62 0C 35 145,-0.7 2,-0.5 7,-0.3 7,-0.2 -0.993 68.4-123.1-157.6 152.5 82.4 44.5 26.1 56 56 A S > - 0 0 2 5,-2.1 4,-1.9 -2,-0.3 5,-0.1 -0.865 4.4-158.8-102.7 125.9 79.0 43.2 27.2 57 57 A S T 4 S+ 0 0 78 -2,-0.5 -1,-0.2 2,-0.2 0, 0.0 0.873 97.6 47.5 -64.9 -37.1 77.1 40.6 25.2 58 58 A A T 4 S+ 0 0 89 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.988 122.4 29.4 -66.8 -62.7 73.9 41.8 26.8 59 59 A T T 4 S- 0 0 45 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.606 92.7-136.5 -76.4 -13.7 74.2 45.6 26.4 60 60 A G < + 0 0 29 -4,-1.9 -3,-0.1 1,-0.2 -1,-0.1 0.415 57.8 143.3 71.4 -6.4 76.3 45.4 23.2 61 61 A N - 0 0 55 169,-0.1 -5,-2.1 -5,-0.1 2,-0.4 -0.244 39.8-151.9 -66.1 154.2 78.4 48.1 24.9 62 62 A V B -O 55 0C 23 -7,-0.2 168,-0.3 -3,-0.1 -7,-0.3 -0.973 16.3-122.9-128.1 141.1 82.2 48.3 24.5 63 63 A A - 0 0 8 -9,-3.5 2,-0.3 -2,-0.4 166,-0.2 -0.317 13.9-142.2 -81.4 166.7 84.6 49.7 27.0 64 64 A S E -D 228 0A 11 164,-2.0 164,-2.4 104,-0.1 2,-0.3 -0.880 20.2-163.4-121.4 153.4 87.1 52.5 26.5 65 65 A F E -DE 227 167A 3 102,-1.6 102,-2.3 -2,-0.3 2,-0.4 -0.998 19.9-160.5-147.4 151.4 90.5 52.6 28.1 66 66 A L E +DE 226 166A 19 160,-3.0 160,-2.3 -2,-0.3 2,-0.3 -0.993 25.4 166.7-123.9 130.4 93.5 54.8 28.9 67 67 A T E -DE 225 165A 2 98,-1.9 98,-2.9 -2,-0.4 2,-0.3 -0.992 13.8-170.4-150.3 139.6 96.8 53.2 29.6 68 68 A S E +DE 224 164A 35 156,-2.6 156,-2.9 -2,-0.3 2,-0.3 -0.940 12.2 160.6-130.0 153.1 100.4 54.4 29.9 69 69 A F E -DE 223 163A 5 94,-2.2 94,-2.7 -2,-0.3 2,-0.4 -0.969 24.1-142.7-168.2 152.6 103.7 52.6 30.1 70 70 A S E +DE 222 162A 10 152,-1.4 151,-1.9 -2,-0.3 152,-1.2 -0.957 21.2 174.7-123.6 141.3 107.4 53.0 29.7 71 71 A F E -DE 220 161A 2 90,-1.8 90,-2.8 -2,-0.4 2,-0.3 -0.831 15.1-145.3-135.7 173.7 109.9 50.4 28.3 72 72 A E E -DE 219 160A 22 147,-2.0 147,-2.6 -2,-0.3 2,-0.4 -0.999 4.8-165.9-145.9 142.2 113.6 50.2 27.4 73 73 A M E +D 218 0A 2 86,-0.8 85,-1.1 83,-0.4 86,-0.5 -0.896 12.2 179.4-133.5 105.9 115.6 48.4 24.8 74 74 A K E -D 217 0A 100 143,-1.0 143,-2.6 -2,-0.4 83,-0.1 -0.846 22.9-126.5-107.0 140.2 119.4 48.2 25.2 75 75 A D - 0 0 72 -2,-0.4 2,-0.3 141,-0.2 141,-0.1 -0.175 19.4-154.2 -75.7 173.1 121.7 46.4 22.7 76 76 A I > - 0 0 38 139,-0.4 3,-0.8 3,-0.3 2,-0.4 -0.994 27.8 -75.9-150.5 146.9 124.3 43.7 23.5 77 77 A K T 3 S- 0 0 175 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.713 104.3 -3.1 -84.4 135.0 127.5 42.4 21.9 78 78 A D T 3 S+ 0 0 118 -2,-0.4 -1,-0.3 1,-0.1 2,-0.1 -0.753 105.2 92.3-119.6 38.3 127.5 40.7 19.5 79 79 A Y S < S- 0 0 82 -3,-0.8 -3,-0.3 1,-0.1 135,-0.2 -0.393 73.3-102.1 -87.3 167.1 123.8 40.1 18.6 80 80 A D B -p 214 0D 94 133,-2.1 135,-1.3 -2,-0.1 2,-1.0 -0.644 41.3-102.8 -86.6 143.4 121.5 42.0 16.4 81 81 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.553 66.5-173.7 -69.7 102.1 119.0 44.4 18.0 82 82 A A - 0 0 0 -2,-1.0 134,-0.1 129,-0.1 129,-0.1 -0.957 16.1 -10.9-162.3 164.0 115.8 42.4 17.7 83 83 A D - 0 0 2 -2,-0.3 41,-1.8 132,-0.2 42,-0.6 -0.946 64.6-133.7-108.0 -22.7 113.0 41.7 17.8 84 84 A G E -KL 123 209B 0 125,-0.7 125,-0.9 39,-0.2 2,-0.4 -0.832 15.0 -82.3 141.9-180.0 110.8 44.1 19.7 85 85 A I E -KL 122 208B 0 37,-1.2 37,-1.9 -2,-0.3 2,-0.4 -0.984 30.5-168.5-128.2 135.5 108.0 44.7 22.2 86 86 A I E -KL 121 207B 0 121,-2.9 121,-1.9 -2,-0.4 2,-0.6 -0.987 14.3-152.9-131.0 133.0 104.3 44.5 21.8 87 87 A F E +KL 120 206B 3 33,-2.2 33,-2.5 -2,-0.4 2,-0.3 -0.885 36.5 174.9 -95.7 123.6 101.5 45.6 24.0 88 88 A F E -KL 119 205B 0 117,-1.9 117,-1.5 -2,-0.6 2,-0.4 -0.902 34.4-146.0-136.7 165.0 98.5 43.3 23.2 89 89 A I E +KL 118 204B 3 29,-2.6 29,-1.9 -2,-0.3 115,-0.2 -0.957 34.9 155.2-122.6 140.6 95.0 42.3 24.2 90 90 A A E - 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