==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 10-NOV-11 3UL2 . COMPND 2 MOLECULE: LEGUME LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DOLICHOS LABLAB; . AUTHOR K.N.SHETTY,V.L.LATHA,R.N.RAO,N.SIVAKUMAR,K.SUGUNA . 992 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 682 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 412 41.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 112 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 3.5 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 7 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 9 8 4 4 10 8 12 4 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 6 0 0 0 0 0 0 0 1 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 24 A A 0 0 71 0, 0.0 2,-0.3 0, 0.0 233,-0.2 0.000 360.0 360.0 360.0 128.0 3.2 -78.9 -12.9 2 25 A N E -A 233 0A 112 231,-2.0 231,-2.5 2,-0.0 2,-0.3 -0.597 360.0-166.6 -76.7 135.2 6.1 -78.9 -10.5 3 26 A L E +A 232 0A 127 -2,-0.3 2,-0.3 229,-0.2 229,-0.2 -0.930 15.3 175.9-124.8 146.8 5.3 -77.9 -6.9 4 27 A I E +A 231 0A 44 227,-1.8 227,-2.6 -2,-0.3 2,-0.3 -0.959 13.6 152.9-146.8 134.7 7.4 -76.9 -3.8 5 28 A S E +A 230 0A 68 -2,-0.3 2,-0.3 225,-0.2 225,-0.2 -0.990 11.0 174.9-153.6 158.5 6.2 -75.8 -0.4 6 29 A F E -A 229 0A 17 223,-2.3 223,-2.3 -2,-0.3 2,-0.4 -0.975 15.0-153.5-157.5 159.4 7.1 -75.6 3.3 7 30 A T E -A 228 0A 50 -2,-0.3 2,-0.8 221,-0.2 221,-0.2 -0.942 5.8-170.0-137.8 114.3 5.9 -74.2 6.6 8 31 A F E +A 227 0A 16 219,-3.8 219,-2.4 -2,-0.4 3,-0.1 -0.901 16.5 165.1-100.9 103.2 8.2 -73.5 9.5 9 32 A K S S+ 0 0 105 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.765 85.2 21.3 -80.3 -29.9 6.2 -72.7 12.6 10 33 A K S S- 0 0 152 -3,-0.2 -1,-0.3 217,-0.1 2,-0.2 -0.959 92.7-120.4-129.4 153.8 9.6 -73.2 14.4 11 34 A F - 0 0 4 16,-2.1 2,-0.3 -2,-0.3 16,-0.2 -0.559 21.4-172.3-100.0 158.4 13.0 -72.9 12.9 12 35 A N > - 0 0 94 -2,-0.2 3,-0.5 1,-0.1 13,-0.0 -0.995 27.2-137.3-145.3 142.0 16.0 -75.4 12.5 13 36 A E G > S+ 0 0 120 -2,-0.3 3,-1.6 1,-0.2 5,-0.2 0.815 95.8 72.4 -62.5 -31.4 19.5 -75.0 11.3 14 37 A T G 3 S+ 0 0 139 1,-0.3 -1,-0.2 3,-0.1 -3,-0.0 0.752 102.0 36.9 -68.2 -30.6 19.4 -78.2 9.3 15 38 A N G < S+ 0 0 45 -3,-0.5 36,-1.4 35,-0.0 2,-0.3 0.127 108.6 80.0-106.2 20.2 17.1 -77.0 6.5 16 39 A L E < S-H 50 0B 14 -3,-1.6 2,-0.7 34,-0.2 34,-0.2 -0.916 70.1-135.9-125.3 152.6 18.5 -73.5 6.2 17 40 A I E -H 49 0B 69 32,-3.3 32,-1.6 -2,-0.3 2,-0.4 -0.926 31.9-159.5-103.2 104.5 21.6 -71.9 4.7 18 41 A L E -H 48 0B 55 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.726 7.9-168.9 -93.0 130.1 22.8 -69.5 7.4 19 42 A Q E > -H 47 0B 21 28,-3.1 28,-2.2 -2,-0.4 3,-1.5 -0.974 48.9 -36.5-126.2 134.3 25.0 -66.6 6.5 20 43 A R E 3 S-H 46 0B 133 -2,-0.4 26,-0.2 1,-0.2 12,-0.1 -0.401 125.7 -4.2 62.4-119.2 27.0 -64.2 8.8 21 44 A D T 3 S+ 0 0 40 24,-2.5 -1,-0.2 -2,-0.3 25,-0.2 0.532 97.2 122.7 -86.8 -6.9 25.3 -63.4 12.1 22 45 A A < + 0 0 6 -3,-1.5 2,-0.3 23,-0.2 9,-0.3 -0.318 37.2 165.6 -62.2 135.0 22.0 -65.2 11.3 23 46 A T E -B 30 0A 58 7,-2.5 7,-3.1 9,-0.1 2,-0.6 -0.992 39.1-124.1-151.9 150.2 21.2 -67.9 13.9 24 47 A V E +B 29 0A 27 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.911 33.1 174.7 -98.5 122.2 18.4 -70.1 15.1 25 48 A S E > -B 28 0A 49 3,-2.7 3,-1.7 -2,-0.6 -14,-0.1 -0.979 67.9 -19.1-132.8 119.1 17.7 -69.6 18.9 26 49 A S T 3 S- 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.886 127.0 -52.1 51.1 46.1 14.8 -71.4 20.7 27 50 A G T 3 S+ 0 0 16 1,-0.2 -16,-2.1 -16,-0.2 2,-0.4 0.490 116.2 115.5 73.6 3.6 13.1 -72.1 17.4 28 51 A K E < -B 25 0A 82 -3,-1.7 -3,-2.7 -18,-0.2 2,-1.0 -0.889 68.0-128.7-107.8 135.7 13.3 -68.4 16.3 29 52 A L E -BC 24 224A 0 195,-2.2 195,-3.0 -2,-0.4 2,-0.9 -0.749 24.4-169.3 -81.8 104.3 15.3 -67.2 13.3 30 53 A R E -BC 23 223A 56 -7,-3.1 -7,-2.5 -2,-1.0 193,-0.2 -0.853 5.7-177.2 -97.9 100.0 17.4 -64.4 14.7 31 54 A I + 0 0 0 191,-2.1 2,-0.3 -2,-0.9 179,-0.2 0.862 66.3 38.5 -67.8 -39.8 18.9 -62.7 11.6 32 55 A T S S- 0 0 5 190,-0.4 190,-0.3 179,-0.1 -9,-0.1 -0.812 100.2 -79.1-117.4 159.1 21.0 -60.2 13.5 33 56 A K - 0 0 116 -2,-0.3 8,-2.3 8,-0.1 2,-0.4 -0.195 40.4-177.9 -64.5 136.1 23.1 -60.4 16.7 34 57 A A B -O 40 0C 34 6,-0.3 -4,-0.0 -4,-0.1 -1,-0.0 -0.984 25.5-118.8-128.1 142.6 21.6 -60.3 20.2 35 58 A A > - 0 0 38 4,-3.0 3,-1.2 -2,-0.4 6,-0.0 -0.170 32.0-102.5 -71.0 169.8 23.5 -60.5 23.5 36 59 A E T 3 S+ 0 0 198 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.827 127.8 51.0 -63.2 -32.7 23.0 -63.2 26.1 37 60 A N T 3 S- 0 0 161 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.506 129.2-100.5 -79.2 -8.1 20.9 -60.6 28.1 38 61 A G S < S+ 0 0 39 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.0 0.695 72.2 148.1 94.5 23.8 18.9 -59.9 25.0 39 62 A V - 0 0 81 181,-0.0 -4,-3.0 39,-0.0 -1,-0.3 -0.809 47.0-127.6 -92.2 120.7 20.5 -56.7 23.8 40 63 A P B -O 34 0C 10 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.475 25.1-139.3 -65.6 137.1 20.6 -56.2 20.1 41 64 A T - 0 0 68 -8,-2.3 3,-0.5 -2,-0.2 179,-0.3 -0.737 11.1-122.9-101.5 147.5 24.2 -55.4 18.8 42 65 A A S S+ 0 0 28 -2,-0.3 172,-0.2 174,-0.2 174,-0.1 -0.250 86.5 37.5 -80.1 170.7 25.1 -52.9 16.1 43 66 A G S S+ 0 0 39 170,-3.0 2,-0.3 175,-0.2 -1,-0.2 0.677 83.9 149.1 63.8 21.3 27.0 -53.5 12.9 44 67 A S - 0 0 2 -3,-0.5 168,-2.1 169,-0.2 2,-0.3 -0.615 26.6-178.1 -93.2 144.2 25.3 -56.8 12.4 45 68 A L E + I 0 211B 0 -2,-0.3 -24,-2.5 166,-0.2 2,-0.3 -0.992 8.9 172.4-135.9 135.7 24.4 -58.5 9.1 46 69 A G E -HI 20 210B 0 164,-2.4 164,-2.3 -2,-0.3 2,-0.3 -0.999 9.2-174.4-146.7 147.3 22.5 -61.8 8.8 47 70 A R E -HI 19 209B 0 -28,-2.2 -28,-3.1 -2,-0.3 2,-0.4 -0.997 2.9-175.0-141.3 143.1 21.0 -64.0 6.0 48 71 A A E +HI 18 208B 0 160,-2.2 160,-2.9 -2,-0.3 2,-0.3 -0.993 8.2 175.9-140.1 129.9 18.9 -67.2 5.9 49 72 A F E -HI 17 207B 4 -32,-1.6 -32,-3.3 -2,-0.4 158,-0.2 -0.951 36.7 -99.5-130.6 153.4 17.8 -69.1 2.8 50 73 A Y E -H 16 0B 36 156,-2.5 -34,-0.2 -2,-0.3 156,-0.2 -0.419 31.4-126.3 -68.3 145.0 16.0 -72.4 2.2 51 74 A S S S+ 0 0 57 -36,-1.4 -1,-0.1 -2,-0.1 -35,-0.1 0.613 90.7 71.1 -74.1 -14.5 18.3 -75.3 1.4 52 75 A T S S- 0 0 65 -37,-0.2 154,-0.3 154,-0.1 -2,-0.1 -0.922 83.9-126.5-106.6 123.7 16.4 -76.2 -1.9 53 76 A P - 0 0 47 0, 0.0 2,-0.5 0, 0.0 152,-0.2 -0.314 20.1-137.1 -62.6 147.0 16.7 -73.9 -4.9 54 77 A I E -J 204 0B 3 150,-3.1 150,-2.4 -50,-0.0 2,-0.7 -0.936 6.5-135.5-110.9 127.5 13.5 -72.7 -6.5 55 78 A Q E +J 203 0B 37 -2,-0.5 148,-0.2 148,-0.2 3,-0.1 -0.749 25.1 177.5 -79.6 116.0 13.0 -72.6 -10.3 56 79 A I + 0 0 0 146,-2.8 9,-2.6 -2,-0.7 2,-0.3 0.719 65.3 2.3 -95.3 -26.3 11.4 -69.2 -10.8 57 80 A W B -P 64 0D 38 145,-1.0 2,-0.5 7,-0.2 -1,-0.3 -0.983 63.3-132.2-155.5 157.8 11.3 -69.4 -14.7 58 81 A D > - 0 0 28 5,-3.0 4,-2.1 -2,-0.3 5,-0.3 -0.959 7.6-164.9-116.8 117.3 12.1 -71.9 -17.4 59 82 A N T 4 S+ 0 0 108 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.872 88.9 51.6 -64.7 -40.3 14.1 -70.6 -20.4 60 83 A T T 4 S+ 0 0 125 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.794 123.6 26.2 -71.0 -32.5 13.3 -73.6 -22.7 61 84 A T T 4 S- 0 0 47 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.640 97.0-128.4-103.4 -21.3 9.5 -73.6 -22.2 62 85 A G < + 0 0 56 -4,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.535 57.6 147.0 80.2 8.2 9.0 -69.8 -21.4 63 86 A T - 0 0 2 -5,-0.3 -5,-3.0 172,-0.2 2,-0.4 -0.510 34.8-154.1 -81.0 145.4 7.0 -70.7 -18.3 64 87 A V B -P 57 0D 23 -7,-0.2 170,-0.4 -2,-0.2 -7,-0.2 -0.967 17.3-120.6-120.1 134.5 7.1 -68.5 -15.2 65 88 A A - 0 0 0 -9,-2.6 2,-0.5 -2,-0.4 168,-0.2 -0.448 13.6-144.3 -71.0 140.5 6.5 -69.7 -11.7 66 89 A S E +D 232 0A 15 166,-2.2 166,-2.7 -2,-0.1 2,-0.3 -0.914 31.9 175.4 -96.0 134.8 3.7 -68.3 -9.6 67 90 A W E -DE 231 168A 2 101,-1.6 101,-3.3 -2,-0.5 2,-0.3 -0.969 21.2-167.8-142.4 157.4 4.7 -68.1 -5.9 68 91 A A E -DE 230 167A 0 162,-2.7 162,-2.3 -2,-0.3 2,-0.3 -0.991 4.1-173.5-140.8 148.3 3.6 -66.9 -2.5 69 92 A T E -DE 229 166A 0 97,-3.0 97,-3.1 -2,-0.3 2,-0.4 -0.998 1.2-172.3-141.0 142.0 5.3 -66.5 0.9 70 93 A S E +DE 228 165A 1 158,-2.5 158,-3.0 -2,-0.3 2,-0.3 -0.997 13.0 162.3-131.9 140.1 4.1 -65.6 4.3 71 94 A F E -DE 227 164A 0 93,-1.6 93,-3.4 -2,-0.4 2,-0.5 -0.981 30.9-135.7-149.4 158.2 6.1 -64.8 7.4 72 95 A T E +DE 226 163A 4 154,-1.8 153,-3.0 -2,-0.3 154,-1.1 -0.988 30.8 178.7-115.6 123.1 5.7 -63.2 10.9 73 96 A F E -DE 224 162A 1 89,-2.5 89,-2.8 -2,-0.5 2,-0.3 -0.778 17.2-154.1-119.4 166.3 8.6 -61.0 11.9 74 97 A N E -D 223 0A 20 149,-2.3 149,-1.8 -2,-0.3 2,-0.6 -0.900 3.6-169.7-145.6 112.7 9.4 -58.8 14.9 75 98 A L - 0 0 0 85,-0.5 84,-2.9 -2,-0.3 2,-0.6 -0.921 14.0-173.8-102.2 115.5 11.7 -55.8 15.0 76 99 A Q - 0 0 90 -2,-0.6 145,-1.7 145,-0.4 3,-0.1 -0.941 3.3-172.6-119.5 111.4 12.3 -54.7 18.6 77 100 A A - 0 0 2 -2,-0.6 3,-0.3 143,-0.2 143,-0.2 -0.905 21.7-152.9-106.8 127.1 14.2 -51.5 19.3 78 101 A P S S+ 0 0 91 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.893 99.2 26.4 -58.2 -41.2 15.3 -50.5 22.8 79 102 A N S > S- 0 0 94 140,-0.4 3,-1.6 3,-0.3 140,-0.2 -0.937 71.8-164.0-128.5 108.3 15.1 -46.9 21.6 80 103 A A T 3 S+ 0 0 41 -2,-0.4 -1,-0.1 -3,-0.3 138,-0.0 0.761 87.3 63.0 -62.4 -31.3 12.7 -46.2 18.8 81 104 A A T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -4,-0.0 137,-0.0 0.653 112.4 38.6 -70.5 -16.5 14.2 -42.8 17.9 82 105 A S S < S+ 0 0 16 -3,-1.6 137,-0.9 135,-0.1 2,-0.3 -0.600 82.1 122.7-136.4 76.2 17.5 -44.6 17.1 83 106 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 136,-0.1 -0.893 38.4-135.5-123.8 167.5 17.1 -48.0 15.3 84 107 A A - 0 0 2 -2,-0.3 129,-1.0 134,-0.1 136,-0.2 -0.906 36.1 -17.9-175.2 155.3 18.3 -49.4 12.0 85 108 A D E -K 212 0B 5 127,-0.4 41,-1.3 -2,-0.3 42,-1.0 -0.910 56.2-135.6-117.6 -30.1 18.2 -50.8 9.4 86 109 A G E -KL 211 125B 0 125,-1.4 125,-1.8 39,-0.2 2,-0.3 -0.899 15.6 -94.0 145.6-173.2 15.5 -53.3 8.6 87 110 A L E -KL 210 124B 0 37,-1.8 37,-2.6 -2,-0.3 2,-0.3 -0.969 27.7-166.3-140.0 158.3 14.8 -56.7 7.1 88 111 A A E -KL 209 123B 0 121,-2.5 121,-2.1 -2,-0.3 2,-0.5 -0.988 23.3-130.9-143.9 149.6 13.9 -58.1 3.7 89 112 A F E -KL 208 122B 1 33,-2.1 33,-2.6 -2,-0.3 2,-0.3 -0.910 43.5-174.7 -94.2 129.4 12.5 -61.2 1.9 90 113 A A E -KL 207 121B 0 117,-2.8 117,-1.7 -2,-0.5 2,-0.5 -0.920 34.5-151.2-133.6 150.9 14.8 -61.8 -1.1 91 114 A L E +KL 206 120B 3 29,-3.0 29,-1.7 -2,-0.3 115,-0.2 -0.990 35.1 169.0-114.5 117.2 15.3 -64.0 -4.1 92 115 A V E -K 205 0B 1 113,-2.2 113,-2.8 -2,-0.5 27,-0.1 -0.841 42.8 -80.9-124.4 160.0 19.0 -64.3 -4.9 93 116 A P E > -K 204 0B 28 0, 0.0 3,-1.8 0, 0.0 111,-0.2 -0.277 57.0 -99.6 -57.8 155.0 21.2 -66.4 -7.2 94 117 A V T 3 S+ 0 0 69 109,-0.5 110,-0.1 1,-0.3 -2,-0.1 0.832 116.9 30.2 -54.1 -51.7 21.9 -69.9 -5.7 95 118 A G T 3 S+ 0 0 65 2,-0.0 -1,-0.3 110,-0.0 2,-0.1 0.007 90.3 155.1 -96.0 32.2 25.4 -69.5 -4.2 96 119 A S < - 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