==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING PROTEIN 18-MAR-11 3R51 . COMPND 2 MOLECULE: IPOMOELIN; . SOURCE 2 ORGANISM_SCIENTIFIC: IPOMOEA BATATAS; . AUTHOR K.L.LIU,W.C.CHANG,S.T.JENG,Y.S.CHENG . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 52.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 3.0 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 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 PARALLEL BRIDGES PER LADDER . 1 2 0 2 4 6 0 2 2 2 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 0 2 2 0 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 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 4 A Q 0 0 151 0, 0.0 274,-1.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 127.3 34.3 40.3 31.5 2 5 A L B -a 275 0A 113 272,-0.2 274,-0.2 274,-0.1 163,-0.1 -0.910 360.0-112.4-105.8 115.7 34.6 43.8 30.0 3 6 A A - 0 0 12 272,-2.4 274,-0.3 -2,-0.6 2,-0.1 -0.131 32.8-122.4 -47.1 133.4 35.4 46.5 32.6 4 7 A A - 0 0 75 162,-0.2 161,-2.8 160,-0.1 2,-0.3 -0.399 23.0-128.5 -78.1 157.9 32.4 49.0 33.1 5 8 A H E -B 164 0A 111 159,-0.2 2,-0.4 -2,-0.1 159,-0.2 -0.816 11.7-154.4-111.2 152.0 32.9 52.7 32.5 6 9 A S E -B 163 0A 45 157,-2.4 157,-2.0 -2,-0.3 0, 0.0 -0.997 27.5-111.2-124.5 128.7 32.1 55.6 34.8 7 10 A D - 0 0 20 -2,-0.4 142,-0.1 155,-0.2 154,-0.0 -0.170 32.2-108.0 -58.5 145.3 31.3 59.1 33.4 8 11 A A E -J 148 0B 7 140,-0.7 140,-2.0 154,-0.1 2,-0.3 -0.190 34.7-138.5 -65.2 164.8 33.7 62.1 34.0 9 12 A R E -JK 147 160B 63 151,-1.3 151,-2.4 138,-0.2 2,-0.5 -0.937 12.4-155.1-132.4 150.9 32.7 64.8 36.4 10 13 A S E -JK 146 159B 0 136,-2.5 136,-2.4 -2,-0.3 149,-0.2 -0.977 54.8 -54.3-125.6 111.1 32.9 68.6 36.5 11 14 A G E - 0 0 17 147,-2.8 134,-0.2 -2,-0.5 2,-0.2 -0.749 20.9-130.8 115.3-157.0 32.9 70.1 40.0 12 15 A P E - 0 0 70 0, 0.0 2,-0.3 0, 0.0 133,-0.3 0.465 35.7-175.6 -79.2 166.5 31.4 70.1 42.6 13 16 A V E +J 144 0B 4 131,-2.8 131,-2.4 -2,-0.2 2,-0.2 -0.830 48.3 48.1-116.8 162.0 31.2 73.8 43.3 14 17 A G E S-J 143 0B 20 -2,-0.3 2,-0.3 129,-0.2 129,-0.3 -0.627 90.0 -54.2 104.9-165.1 29.7 75.0 46.6 15 18 A S - 0 0 42 127,-2.4 121,-0.1 80,-0.4 82,-0.1 -0.788 57.6 -77.6-120.4 161.9 30.5 73.9 50.2 16 19 A N - 0 0 143 -2,-0.3 2,-0.3 1,-0.0 79,-0.2 -0.157 52.6-174.9 -51.7 141.8 30.6 70.8 52.2 17 20 A G - 0 0 9 120,-0.1 120,-0.1 1,-0.1 121,-0.1 -0.895 37.0 -94.1-138.6 165.9 27.1 69.6 53.2 18 21 A G S S+ 0 0 73 -2,-0.3 2,-0.4 118,-0.1 120,-0.2 0.863 100.0 27.4 -47.8 -52.8 25.7 66.9 55.4 19 22 A Q E -L 137 0B 139 118,-2.0 118,-2.2 -3,-0.0 2,-0.3 -0.921 69.4-130.3-124.1 143.3 25.0 64.2 52.8 20 23 A F E -L 136 0B 129 -2,-0.4 2,-0.3 116,-0.2 116,-0.2 -0.618 30.9-177.1 -83.6 143.5 26.5 63.2 49.5 21 24 A W E -L 135 0B 19 114,-1.9 114,-2.1 -2,-0.3 2,-0.3 -0.974 9.8-174.7-140.0 154.9 24.0 62.7 46.7 22 25 A S E +L 134 0B 54 -2,-0.3 2,-0.3 112,-0.2 112,-0.2 -0.977 5.3 177.7-151.8 134.8 24.3 61.5 43.1 23 26 A F E +L 133 0B 23 110,-2.9 110,-2.3 -2,-0.3 124,-0.2 -0.871 14.2 153.0-145.1 108.7 21.7 61.2 40.2 24 27 A R - 0 0 89 -2,-0.3 108,-0.2 108,-0.3 2,-0.1 -0.809 25.1-165.0-136.5 88.6 22.7 60.1 36.7 25 28 A P - 0 0 6 0, 0.0 4,-0.2 0, 0.0 32,-0.1 -0.359 26.8-123.5 -73.1 157.9 19.6 58.5 35.0 26 29 A V S S+ 0 0 130 2,-0.1 3,-0.1 -2,-0.1 31,-0.0 0.924 95.0 58.3 -68.6 -41.8 20.0 56.4 31.8 27 30 A R S S- 0 0 166 1,-0.2 27,-0.1 27,-0.0 2,-0.0 -0.416 111.8 -66.9 -87.3 162.4 17.6 58.6 29.9 28 31 A P - 0 0 87 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 -0.215 43.2-129.6 -52.9 121.6 18.0 62.4 29.3 29 32 A L + 0 0 12 -4,-0.2 24,-0.3 101,-0.2 103,-0.1 -0.650 48.6 156.3 -72.8 99.8 17.6 64.3 32.5 30 33 A N + 0 0 71 -2,-1.3 47,-2.0 22,-0.7 2,-0.4 0.293 40.9 61.3-116.3 6.8 15.0 66.8 31.0 31 34 A K E -NO 52 76C 73 21,-1.8 21,-1.7 45,-0.2 2,-0.4 -0.985 50.9-177.1-139.3 130.4 12.9 68.2 33.9 32 35 A I E -NO 51 75C 0 43,-2.6 43,-2.7 -2,-0.4 2,-0.5 -0.989 6.3-166.4-128.3 129.5 14.0 70.4 36.9 33 36 A V E -NO 50 74C 31 17,-2.6 17,-2.6 -2,-0.4 2,-0.5 -0.960 7.4-162.9-116.3 120.0 11.7 71.6 39.7 34 37 A L E -NO 49 73C 0 39,-2.7 39,-2.5 -2,-0.5 2,-0.4 -0.891 5.5-162.4-104.8 131.6 13.1 74.3 42.0 35 38 A S E -NO 48 72C 7 13,-2.6 12,-3.0 -2,-0.5 13,-1.7 -0.955 10.8-179.8-119.9 136.1 11.4 74.9 45.3 36 39 A F E -NO 46 71C 1 35,-3.4 34,-2.8 -2,-0.4 35,-2.4 -0.910 23.2-144.6-133.3 155.6 11.8 78.0 47.4 37 40 A S E S+N 45 0C 2 8,-1.9 8,-1.8 -2,-0.3 32,-0.1 -0.462 76.0 35.8-101.4-177.4 10.7 79.6 50.7 38 41 A G E S-N 44 0C 34 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.381 91.6 -92.8 71.1-152.7 10.1 83.4 50.8 39 42 A S > - 0 0 24 4,-1.4 3,-1.2 1,-0.1 4,-0.1 -0.989 24.4 -99.9-159.7 161.4 8.7 85.1 47.7 40 43 A P G > S+ 0 0 82 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.896 121.6 46.6 -52.1 -44.5 9.7 87.0 44.5 41 44 A D G 3 S+ 0 0 160 1,-0.2 -3,-0.0 2,-0.1 3,-0.0 0.582 123.4 34.1 -75.0 -13.6 9.1 90.5 46.1 42 45 A Q G < S- 0 0 154 -3,-1.2 -1,-0.2 1,-0.1 -3,-0.1 -0.067 128.0 -77.2-133.1 31.5 11.0 89.6 49.3 43 46 A T < - 0 0 74 -3,-0.9 -4,-1.4 -5,-0.1 2,-0.4 0.681 39.5-116.8 75.8 126.7 13.7 87.3 48.0 44 47 A L E -N 38 0C 22 -6,-0.2 2,-0.7 69,-0.2 -6,-0.2 -0.789 22.1-152.8 -92.8 131.0 13.4 83.6 47.0 45 48 A N E -N 37 0C 26 -8,-1.8 -8,-1.9 -2,-0.4 2,-0.3 -0.915 16.1-132.6-109.4 107.6 15.4 81.2 49.1 46 49 A L E +N 36 0C 1 -2,-0.7 95,-0.4 52,-0.4 -10,-0.2 -0.397 35.6 164.5 -61.4 120.2 16.3 78.0 47.2 47 50 A I E - 0 0 5 -12,-3.0 16,-0.9 1,-0.4 2,-0.3 0.805 57.9 -2.4-105.4 -44.2 15.5 75.0 49.3 48 51 A S E -NP 35 62C 5 -13,-1.7 -13,-2.6 14,-0.2 2,-0.4 -0.988 50.2-149.4-151.5 156.6 15.5 72.0 47.0 49 52 A I E -NP 34 61C 0 12,-1.8 12,-2.9 -2,-0.3 2,-0.5 -0.992 11.4-155.7-128.4 136.6 16.0 71.0 43.4 50 53 A T E -NP 33 60C 19 -17,-2.6 -17,-2.6 -2,-0.4 2,-0.4 -0.966 11.2-169.1-118.3 116.8 14.2 68.0 41.9 51 54 A F E +NP 32 59C 0 8,-2.3 8,-2.4 -2,-0.5 2,-0.3 -0.840 14.5 160.2-104.2 140.3 15.9 66.5 38.9 52 55 A S E -NP 31 58C 9 -21,-1.7 -21,-1.8 -2,-0.4 -22,-0.7 -0.995 38.7-166.5-156.1 161.7 14.2 63.8 36.7 53 56 A S E S- 0 0 10 4,-1.8 5,-0.1 1,-0.6 -1,-0.1 0.509 87.0 -19.4-119.4 -19.6 14.3 62.2 33.2 54 57 A N E > S- P 0 57C 36 3,-1.1 3,-1.8 -23,-0.1 -1,-0.6 -0.943 86.1 -72.0-171.4 175.4 10.8 60.6 33.7 55 58 A P T 3 S+ 0 0 128 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.757 128.5 42.3 -53.4 -30.9 8.3 59.6 36.5 56 59 A T T 3 S+ 0 0 122 1,-0.2 2,-0.3 -4,-0.0 -4,-0.0 0.105 107.6 61.6-107.9 24.1 10.4 56.7 37.7 57 60 A D E < S+P 54 0C 56 -3,-1.8 -4,-1.8 -32,-0.1 -3,-1.1 -0.792 73.1 125.4-146.0 95.4 13.8 58.3 37.6 58 61 A I E -P 52 0C 89 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.996 33.5-166.8-156.4 148.4 13.9 61.4 39.9 59 62 A I E -P 51 0C 35 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.4 -0.982 9.5-153.6-139.6 148.3 15.9 62.8 42.8 60 63 A T E -P 50 0C 83 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.997 14.0-165.0-122.4 118.2 15.2 65.7 45.3 61 64 A V E +P 49 0C 1 -12,-2.9 -12,-1.8 -2,-0.4 80,-0.1 -0.902 60.7 2.1-108.4 134.4 18.3 67.3 46.8 62 65 A G E S+P 48 0C 5 -2,-0.4 78,-0.3 -14,-0.2 -14,-0.2 -0.287 83.1 101.7 80.2-177.7 17.9 69.6 49.8 63 66 A G + 0 0 38 76,-2.4 76,-0.2 -16,-0.9 77,-0.1 0.632 41.7 121.6 78.9 13.3 14.5 70.0 51.3 64 67 A V + 0 0 111 74,-1.5 75,-0.2 -17,-0.2 76,-0.1 0.848 56.3 85.7 -76.0 -32.4 15.1 67.6 54.2 65 68 A G S S- 0 0 22 73,-0.2 -18,-0.0 -18,-0.1 73,-0.0 0.072 89.0-111.6 -64.1 173.1 14.3 70.4 56.7 66 69 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 73,-0.0 0.812 72.9 122.9 -77.1 -30.8 10.9 71.5 58.1 67 70 A E - 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