==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 27-JAN-93 1LOC . COMPND 2 MOLECULE: LEGUME ISOLECTIN I (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: LATHYRUS OCHRUS; . AUTHOR Y.BOURNE,C.CAMBILLAU . 915 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 69.0 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 . 416 45.5 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 87 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 2.7 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+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 1 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 . 5 4 8 4 8 8 16 6 0 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 4 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 T 0 0 60 0, 0.0 240,-2.7 0, 0.0 241,-0.6 0.000 360.0 360.0 360.0 139.0 0.5 29.7 38.0 2 2 A E E -AB 227 240A 26 225,-1.9 225,-2.8 238,-0.2 2,-0.3 -0.980 360.0-179.3-137.2 129.8 3.6 31.3 36.5 3 3 A T E -AB 226 239A 22 236,-1.8 236,-1.7 -2,-0.3 2,-0.4 -0.972 7.9-170.7-128.5 148.6 7.0 29.7 36.2 4 4 A T E +AB 225 238A 5 221,-1.2 221,-2.2 -2,-0.3 2,-0.3 -0.990 16.5 168.3-131.0 131.4 10.3 31.2 34.7 5 5 A S E +AB 224 237A 17 232,-2.6 232,-2.3 -2,-0.4 2,-0.3 -0.973 4.8 155.1-140.9 149.3 13.3 28.9 34.2 6 6 A F E -AB 223 236A 2 217,-1.6 217,-2.2 -2,-0.3 2,-0.3 -0.943 15.9-164.3-160.5 155.7 16.7 29.1 32.4 7 7 A S E -AB 222 235A 22 228,-1.9 228,-1.8 -2,-0.3 2,-0.4 -0.987 4.5-174.4-143.1 147.3 20.2 27.6 32.6 8 8 A I E +AB 221 234A 0 213,-2.6 213,-2.6 -2,-0.3 226,-0.2 -0.921 8.9 170.6-141.0 104.5 23.5 28.8 31.1 9 9 A T S S+ 0 0 70 224,-2.6 2,-0.3 -2,-0.4 225,-0.1 0.565 76.4 25.0 -90.1 -13.1 26.1 26.3 31.6 10 10 A K S S- 0 0 98 223,-0.4 -1,-0.3 211,-0.1 2,-0.3 -0.900 79.6-142.0-153.5 119.4 28.7 28.0 29.3 11 11 A F - 0 0 0 18,-1.7 18,-0.2 -2,-0.3 4,-0.1 -0.660 19.0-155.4 -89.3 147.5 28.5 31.7 28.6 12 12 A G - 0 0 19 -2,-0.3 3,-0.2 17,-0.1 14,-0.1 -0.658 30.4 -99.0-122.1 172.0 29.3 32.8 25.1 13 13 A P S S+ 0 0 111 0, 0.0 2,-0.6 0, 0.0 13,-0.2 0.719 117.3 45.7 -69.0 -22.2 30.5 36.1 23.6 14 14 A D + 0 0 88 1,-0.0 2,-1.1 2,-0.0 -2,-0.0 -0.804 69.5 167.3-118.2 91.4 27.1 37.2 22.5 15 15 A Q > + 0 0 5 -2,-0.6 3,-1.6 -3,-0.2 -4,-0.0 -0.623 3.2 173.1-110.2 78.5 24.8 36.5 25.4 16 16 A Q T 3 + 0 0 68 -2,-1.1 -1,-0.2 1,-0.3 266,-0.0 0.565 66.5 67.0 -65.4 -10.0 21.8 38.4 24.5 17 17 A N T 3 S+ 0 0 3 263,-0.1 30,-2.8 29,-0.0 2,-0.3 0.374 93.4 75.1 -96.6 12.3 19.5 37.1 27.3 18 18 A L E < S-P 46 0B 10 -3,-1.6 2,-0.5 28,-0.2 28,-0.2 -0.888 73.3-141.2-118.5 147.8 21.6 39.0 29.8 19 19 A I E -P 45 0B 57 26,-2.4 26,-2.4 -2,-0.3 2,-0.4 -0.953 20.9-149.5-104.9 125.6 21.7 42.8 30.5 20 20 A F E -P 44 0B 74 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.764 16.1-177.6-101.1 135.4 25.3 44.0 31.2 21 21 A Q E > -P 43 0B 30 22,-2.6 22,-2.6 -2,-0.4 3,-1.6 -0.977 54.1 -10.1-133.2 153.2 25.9 47.0 33.4 22 22 A G E 3 S-P 42 0B 56 -2,-0.3 20,-0.2 1,-0.2 -2,-0.0 -0.443 127.3 -27.0 61.5-129.9 29.1 48.7 34.4 23 23 A D T 3 S+ 0 0 101 18,-2.4 -1,-0.2 10,-0.2 19,-0.2 0.221 97.2 128.5-102.9 16.0 32.1 46.7 33.2 24 24 A G < + 0 0 9 -3,-1.6 2,-0.3 19,-0.3 9,-0.2 -0.474 26.6 147.9 -73.5 143.7 30.5 43.2 33.2 25 25 A Y E -C 32 0A 85 7,-2.0 7,-2.8 -2,-0.1 2,-0.4 -0.956 45.2-101.4-161.6 167.5 30.9 41.3 30.0 26 26 A T E +C 31 0A 16 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.833 44.6 154.3-101.8 139.3 31.3 37.7 28.8 27 27 A T E > +C 30 0A 40 3,-2.5 3,-1.1 -2,-0.4 -16,-0.1 -0.892 57.4 10.2-163.2 142.8 34.7 36.1 27.8 28 28 A K T 3 S- 0 0 169 -2,-0.3 3,-0.1 1,-0.3 -16,-0.1 0.840 127.9 -57.3 59.2 41.8 36.4 32.8 27.6 29 29 A E T 3 S+ 0 0 67 1,-0.3 -18,-1.7 -18,-0.2 2,-0.3 0.492 120.7 105.6 69.1 11.1 33.1 30.9 28.3 30 30 A R E < S-C 27 0A 80 -3,-1.1 -3,-2.5 -20,-0.2 2,-0.7 -0.802 73.5-129.7-122.2 152.5 32.8 32.9 31.5 31 31 A L E -CD 26 218A 0 187,-3.1 187,-2.5 -2,-0.3 2,-0.6 -0.921 31.7-161.7 -94.5 119.1 30.7 35.8 32.7 32 32 A T E +CD 25 217A 0 -7,-2.8 -7,-2.0 -2,-0.7 185,-0.2 -0.903 20.8 174.8-109.5 123.0 33.3 38.2 34.1 33 33 A L E S+ 0 0 0 183,-2.6 2,-0.3 -2,-0.6 -10,-0.2 0.889 76.1 9.3 -83.4 -38.9 31.9 40.9 36.5 34 34 A T E - D 0 216A 3 182,-1.3 182,-1.8 174,-0.1 -1,-0.4 -0.984 64.0-145.1-142.7 138.7 35.3 42.2 37.3 35 35 A K - 0 0 120 -2,-0.3 2,-2.0 180,-0.2 179,-0.4 -0.531 53.5 -86.1 -85.2 172.7 38.9 41.7 36.0 36 36 A A S S+ 0 0 47 -2,-0.2 2,-0.3 177,-0.1 179,-0.2 -0.500 92.8 117.3 -83.9 83.3 41.6 41.9 38.7 37 37 A V - 0 0 68 -2,-2.0 3,-0.4 177,-0.4 177,-0.3 -0.944 67.0 -99.8-147.7 151.0 41.9 45.6 38.3 38 38 A R S S+ 0 0 147 -2,-0.3 173,-0.2 1,-0.2 175,-0.1 -0.285 91.1 16.9 -77.6 163.1 41.2 48.5 40.8 39 39 A N S S+ 0 0 127 171,-1.7 2,-0.3 173,-0.2 -1,-0.2 0.772 85.0 139.7 53.0 44.9 38.1 50.6 41.1 40 40 A T - 0 0 14 -3,-0.4 169,-2.3 -5,-0.1 58,-0.4 -0.830 33.6-169.2-123.7 160.0 35.5 48.6 39.1 41 41 A V E + Q 0 208B 34 -2,-0.3 -18,-2.4 167,-0.2 2,-0.4 -0.974 13.2 176.2-132.4 130.4 31.8 47.7 39.3 42 42 A G E +PQ 22 207B 0 165,-2.3 165,-1.9 -2,-0.3 2,-0.3 -0.999 0.5 174.2-138.0 139.2 30.3 45.1 37.0 43 43 A R E -PQ 21 206B 1 -22,-2.6 -22,-2.6 -2,-0.4 2,-0.3 -0.956 11.3-168.8-136.7 155.1 26.7 43.7 37.0 44 44 A A E -PQ 20 205B 0 161,-1.8 161,-2.2 -2,-0.3 2,-0.3 -0.966 8.2-168.2-141.2 135.3 24.6 41.3 34.9 45 45 A L E -PQ 19 204B 3 -26,-2.4 -26,-2.4 -2,-0.3 159,-0.2 -0.918 30.2-110.4-118.0 145.2 20.9 40.8 35.1 46 46 A Y E -P 18 0B 0 157,-2.0 157,-0.3 -2,-0.3 -28,-0.2 -0.570 35.0-127.1 -67.2 140.9 18.7 38.1 33.5 47 47 A S S S+ 0 0 14 -30,-2.8 -1,-0.1 -2,-0.2 -29,-0.1 0.821 83.0 74.8 -64.1 -35.6 16.6 39.9 30.8 48 48 A S S S- 0 0 0 -31,-0.2 201,-0.1 233,-0.1 -2,-0.1 -0.653 81.8-123.7 -81.7 135.2 13.0 38.8 31.7 49 49 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 153,-0.2 -0.389 29.8-141.2 -52.5 139.7 11.3 40.4 34.8 50 50 A I E -R 201 0B 0 151,-2.8 151,-2.2 -2,-0.1 2,-1.0 -0.944 7.6-126.2-116.6 144.2 10.2 37.6 37.2 51 51 A H E +R 200 0B 18 -2,-0.4 149,-0.2 149,-0.2 -49,-0.1 -0.733 33.8 169.5 -84.8 100.0 6.9 37.6 39.2 52 52 A I - 0 0 3 147,-2.1 9,-2.9 -2,-1.0 2,-0.3 0.791 63.6 -2.5 -88.9 -28.8 7.9 37.1 42.8 53 53 A W B -W 60 0C 41 146,-1.3 2,-0.5 7,-0.2 7,-0.3 -0.976 65.4-131.5-153.1 162.1 4.6 37.8 44.6 54 54 A D > - 0 0 34 5,-2.5 4,-2.2 -2,-0.3 5,-0.3 -0.966 3.4-159.0-123.7 125.5 1.1 38.8 43.6 55 55 A S T 4 S+ 0 0 69 -2,-0.5 -1,-0.1 2,-0.2 139,-0.0 0.809 91.4 59.5 -73.5 -26.2 -0.9 41.6 45.3 56 56 A K T 4 S+ 0 0 165 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.962 124.3 17.4 -67.7 -49.5 -4.3 40.2 44.0 57 57 A T T 4 S- 0 0 85 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.609 96.0-127.4 -94.8 -10.2 -4.0 36.8 45.7 58 58 A G < + 0 0 29 -4,-2.2 -3,-0.1 1,-0.2 2,-0.1 0.487 60.5 144.4 73.6 -0.5 -1.2 37.6 48.3 59 59 A N - 0 0 64 -5,-0.3 -5,-2.5 -6,-0.1 2,-0.3 -0.407 33.8-159.3 -69.5 144.1 0.8 34.5 47.0 60 60 A V B -W 53 0C 24 -7,-0.3 168,-0.4 -2,-0.1 -7,-0.2 -0.879 20.2-108.0-127.9 149.3 4.6 34.6 46.9 61 61 A A - 0 0 0 -9,-2.9 2,-0.4 -2,-0.3 166,-0.2 -0.490 10.9-135.8 -75.1 151.2 6.8 32.4 44.8 62 62 A N E +E 226 0A 72 164,-2.4 164,-2.5 -2,-0.2 2,-0.3 -0.812 35.4 173.2 -92.9 141.8 9.1 29.6 45.6 63 63 A F E -EF 225 166A 10 103,-1.6 103,-2.6 -2,-0.4 2,-0.3 -0.994 20.4-168.6-147.3 159.5 12.5 29.8 43.8 64 64 A V E +EF 224 165A 45 160,-2.1 160,-2.3 -2,-0.3 2,-0.4 -0.995 8.1 179.2-143.0 136.5 15.9 28.2 43.6 65 65 A T E -EF 223 164A 0 99,-2.8 99,-2.7 -2,-0.3 2,-0.3 -0.983 2.2-175.4-132.5 145.8 19.1 29.3 41.9 66 66 A S E +EF 222 163A 34 156,-2.0 156,-2.4 -2,-0.4 2,-0.3 -0.982 9.4 161.6-137.6 155.9 22.5 27.7 41.7 67 67 A F E -EF 221 162A 3 95,-1.8 95,-2.7 -2,-0.3 2,-0.4 -0.985 29.2-133.0-160.1 155.8 25.8 28.9 40.2 68 68 A T E +EF 220 161A 17 152,-1.3 151,-2.9 -2,-0.3 152,-1.0 -0.971 31.1 175.6-122.3 143.9 29.5 28.3 40.3 69 69 A F E -EF 218 160A 4 91,-1.8 91,-2.2 -2,-0.4 2,-0.4 -0.957 20.1-145.0-142.7 158.5 31.9 31.2 40.6 70 70 A V E -E 217 0A 9 147,-2.7 147,-2.3 -2,-0.3 2,-0.5 -0.978 1.6-163.5-130.9 138.4 35.6 32.0 41.0 71 71 A I E -E 216 0A 4 87,-0.5 86,-3.2 -2,-0.4 2,-0.5 -0.999 14.7-174.1-114.6 122.0 37.3 34.8 42.9 72 72 A D E +E 215 0A 84 143,-1.9 143,-2.6 -2,-0.5 84,-0.1 -0.943 8.9 171.9-125.6 111.2 41.0 35.1 41.7 73 73 A A - 0 0 7 -2,-0.5 141,-0.2 141,-0.3 6,-0.1 -0.737 46.5-105.7-116.5 158.6 43.1 37.6 43.6 74 74 A P S S- 0 0 79 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.821 99.4 -22.7 -56.0 -32.7 46.9 38.4 43.6 75 75 A N S S- 0 0 64 3,-0.4 3,-0.1 0, 0.0 -3,-0.0 -0.937 75.8 -89.6-166.3 171.0 47.3 36.6 46.8 76 76 A S S S+ 0 0 69 -2,-0.3 3,-0.2 1,-0.2 78,-0.1 0.410 115.7 51.5 -69.9 -5.4 45.1 35.6 49.8 77 77 A Y S S+ 0 0 197 1,-0.2 2,-1.0 -4,-0.0 -1,-0.2 0.808 101.6 52.3-103.7 -42.6 45.7 38.8 51.8 78 78 A N S S+ 0 0 73 -3,-0.1 -3,-0.4 45,-0.0 2,-0.4 -0.779 75.9 138.0 -99.6 89.1 44.9 41.7 49.5 79 79 A V - 0 0 1 -2,-1.0 2,-0.3 43,-0.2 135,-0.2 -0.996 31.2-155.1-131.5 133.2 41.4 40.7 48.2 80 80 A A - 0 0 2 -2,-0.4 2,-0.2 43,-0.1 18,-0.0 -0.963 34.2 -18.4-163.8 166.1 38.4 43.0 47.7 81 81 A D - 0 0 6 -2,-0.3 41,-1.3 128,-0.2 42,-1.0 -0.845 64.6-133.8 -98.1 -30.7 35.4 43.7 47.5 82 82 A G E -ST 121 208B 0 126,-1.1 126,-1.7 39,-0.2 2,-0.3 -0.874 11.7 -91.4 139.3-173.5 33.1 40.8 46.8 83 83 A F E -ST 120 207B 1 37,-1.6 37,-2.4 -2,-0.3 2,-0.3 -0.954 26.5-160.4-142.5 148.4 30.2 39.5 44.8 84 84 A T E -ST 119 206B 0 122,-2.4 122,-1.5 -2,-0.3 2,-0.5 -0.940 18.2-151.8-135.7 145.6 26.4 39.5 45.3 85 85 A F E +ST 118 205B 2 33,-2.2 33,-2.6 -2,-0.3 2,-0.3 -0.988 42.2 179.1-104.4 134.8 23.4 37.6 44.0 86 86 A F E -ST 117 204B 0 118,-2.5 118,-2.0 -2,-0.5 2,-0.4 -0.908 34.2-149.2-141.7 165.2 20.5 40.2 44.3 87 87 A I E +ST 116 203B 6 29,-2.4 29,-1.9 -2,-0.3 116,-0.2 -0.998 36.5 151.3-131.0 123.4 16.8 40.8 43.6 88 88 A A E - 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