==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 16-MAY-01 1IPK . COMPND 2 MOLECULE: BETA-CONGLYCININ, BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR N.MARUYAMA,M.ADACHI,K.TAKAHASHI,K.YAGASAKI,M.KOHNO, . 1112 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 816 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 393 35.3 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.2 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 . 137 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.2 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 9 1 3 5 4 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 . 5 2 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 . 8 8 17 7 8 8 7 6 1 0 0 1 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 7 3 0 0 0 1 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 8 A N 0 0 168 0, 0.0 286,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.6 39.7 -21.8 33.9 2 9 A N > - 0 0 6 284,-0.2 3,-3.1 1,-0.1 283,-0.0 -0.855 360.0-117.0-116.9 148.5 38.5 -25.0 32.4 3 10 A P T 3 S+ 0 0 36 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 0.630 115.9 56.7 -43.6 -26.2 35.4 -27.3 32.9 4 11 A F T 3 S+ 0 0 0 1,-0.1 292,-0.7 291,-0.1 2,-0.6 0.272 90.4 92.0 -94.9 10.8 37.7 -30.1 33.9 5 12 A Y E < +A 295 0A 22 -3,-3.1 2,-0.7 290,-0.2 290,-0.2 -0.834 48.5 178.1-116.8 99.3 39.2 -27.9 36.7 6 13 A F E -A 294 0A 0 288,-1.8 288,-2.4 -2,-0.6 2,-0.5 -0.852 22.5-145.1 -96.5 109.6 37.6 -28.1 40.2 7 14 A R >> - 0 0 118 -2,-0.7 3,-1.2 286,-0.2 4,-1.2 -0.636 11.1-136.3 -81.4 127.3 39.5 -25.8 42.5 8 15 A S H 3> S+ 0 0 23 -2,-0.5 4,-0.7 1,-0.3 3,-0.5 0.858 102.9 60.8 -44.6 -40.2 39.8 -27.1 46.1 9 16 A S H 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.834 122.6 13.1 -60.8 -41.0 39.0 -23.6 47.2 10 17 A N H <4 S+ 0 0 110 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.098 115.6 67.6-127.8 26.4 35.6 -23.2 45.6 11 18 A S H < S+ 0 0 5 -4,-1.2 16,-2.7 -3,-0.5 2,-0.2 0.489 88.3 81.0-116.6 -9.0 34.5 -26.7 44.5 12 19 A F E < -G 26 0B 30 -4,-0.7 2,-0.4 -5,-0.4 14,-0.3 -0.621 57.3-158.5-101.9 157.6 34.1 -28.0 48.0 13 20 A Q E -G 25 0B 128 12,-2.6 12,-2.5 -2,-0.2 2,-0.1 -0.940 22.5-130.7-134.7 110.2 31.4 -27.8 50.6 14 21 A T E -G 24 0B 71 -2,-0.4 10,-0.3 10,-0.3 3,-0.1 -0.394 23.6-176.5 -59.9 130.5 32.2 -28.4 54.3 15 22 A L E - 0 0 55 8,-4.3 2,-0.3 1,-0.5 9,-0.2 0.877 66.5 -7.1 -93.6 -52.8 29.7 -30.9 55.7 16 23 A F E S+G 23 0B 21 7,-1.1 7,-2.4 2,-0.0 -1,-0.5 -0.945 71.7 164.4-139.0 158.4 30.7 -31.0 59.3 17 24 A E E +G 22 0B 108 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.789 8.7 154.2 178.4 136.1 33.7 -29.6 61.1 18 25 A N - 0 0 30 3,-0.7 3,-0.4 -2,-0.2 -2,-0.0 -0.735 66.1 -69.5-143.7-169.4 35.2 -28.7 64.5 19 26 A Q S S+ 0 0 129 -2,-0.2 3,-0.1 1,-0.2 31,-0.0 0.676 129.4 58.2 -64.7 -14.1 38.6 -28.2 66.1 20 27 A N S S- 0 0 10 153,-0.3 30,-2.5 1,-0.1 -1,-0.2 0.840 118.9 -42.9 -87.6 -35.0 38.9 -31.9 65.7 21 28 A G E - H 0 49B 11 -3,-0.4 -3,-0.7 28,-0.2 28,-0.2 -0.761 47.7-119.8-163.2-150.8 38.5 -32.4 61.9 22 29 A R E -GH 17 48B 69 26,-1.0 26,-1.7 -2,-0.2 2,-0.4 -0.745 9.3-164.4-178.9 129.0 36.6 -31.5 58.8 23 30 A I E +GH 16 47B 10 -7,-2.4 -8,-4.3 -2,-0.2 -7,-1.1 -0.974 18.8 176.0-122.7 132.0 34.6 -33.3 56.1 24 31 A R E -GH 14 46B 24 22,-1.8 22,-2.0 -2,-0.4 2,-0.3 -0.984 23.4-137.3-142.0 152.4 33.7 -31.8 52.8 25 32 A L E -GH 13 45B 12 -12,-2.5 -12,-2.6 -2,-0.3 2,-0.3 -0.811 16.7-137.7-103.3 141.7 32.0 -32.6 49.5 26 33 A L E -G 12 0B 0 18,-2.0 -14,-0.3 -2,-0.3 18,-0.2 -0.709 43.4 -95.9 -90.0 148.2 33.3 -31.6 46.0 27 34 A Q - 0 0 35 -16,-2.7 17,-0.3 -2,-0.3 2,-0.2 -0.041 53.2 -71.7 -62.5 172.8 30.5 -30.3 43.9 28 35 A R > - 0 0 57 1,-0.1 4,-1.3 15,-0.1 -1,-0.2 -0.451 36.7-136.4 -67.1 133.9 28.6 -32.4 41.4 29 36 A F H > S+ 0 0 1 13,-0.6 4,-0.9 10,-0.4 7,-0.2 0.813 104.8 43.9 -60.7 -34.0 30.7 -33.3 38.3 30 37 A N H 4 S+ 0 0 33 2,-0.2 -1,-0.2 9,-0.2 3,-0.2 0.904 101.2 64.0 -81.8 -41.0 27.7 -32.6 36.1 31 38 A K H 4 S+ 0 0 144 1,-0.2 -2,-0.2 9,-0.1 -1,-0.2 0.859 101.9 56.1 -50.0 -34.6 26.5 -29.4 37.7 32 39 A R H < S- 0 0 96 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.963 129.2 -23.3 -60.9 -55.7 29.8 -27.9 36.6 33 40 A S >< - 0 0 15 -4,-0.9 3,-1.5 -3,-0.2 -1,-0.3 -0.974 51.4-124.6-159.5 144.5 29.5 -28.7 32.9 34 41 A P T 3 S+ 0 0 91 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.895 98.6 83.7 -59.4 -40.1 27.6 -31.2 30.8 35 42 A Q T 3 S+ 0 0 21 1,-0.3 2,-0.3 2,-0.1 3,-0.2 0.660 94.1 50.5 -37.0 -20.6 30.9 -32.3 29.2 36 43 A L < + 0 0 7 -3,-1.5 3,-0.3 -7,-0.2 -1,-0.3 -0.566 66.2 125.1-121.2 66.4 31.1 -34.6 32.3 37 44 A E > + 0 0 46 -3,-0.5 3,-1.1 -2,-0.3 4,-0.2 0.549 61.5 72.6-100.3 -7.9 27.8 -36.3 32.6 38 45 A N T 3 S+ 0 0 70 1,-0.2 -1,-0.2 829,-0.2 219,-0.1 0.093 98.8 52.7 -90.2 23.5 29.2 -39.8 32.7 39 46 A L T > S+ 0 0 2 -3,-0.3 3,-1.5 3,-0.1 -10,-0.4 0.143 70.4 112.2-137.9 12.2 30.3 -38.9 36.2 40 47 A R T < S+ 0 0 76 -3,-1.1 -10,-0.1 1,-0.3 -2,-0.1 0.833 77.3 55.2 -56.8 -36.2 26.9 -37.7 37.5 41 48 A D T 3 S+ 0 0 78 -4,-0.2 85,-0.4 84,-0.2 2,-0.4 0.576 95.2 83.1 -75.3 -12.6 26.8 -40.7 39.9 42 49 A Y < + 0 0 43 -3,-1.5 -13,-0.6 78,-0.1 2,-0.4 -0.786 50.3 178.8-103.5 141.5 30.1 -40.0 41.5 43 50 A R E - I 0 119B 31 76,-1.3 76,-3.8 -2,-0.4 2,-0.4 -0.987 18.9-140.9-133.8 139.7 30.9 -37.6 44.3 44 51 A I E - I 0 118B 1 -2,-0.4 -18,-2.0 -17,-0.3 2,-0.4 -0.852 18.3-171.9-105.6 140.4 34.3 -37.0 45.9 45 52 A V E -HI 25 117B 3 72,-2.8 72,-3.4 -2,-0.4 2,-0.4 -0.984 9.8-156.9-133.3 142.8 34.8 -36.5 49.6 46 53 A Q E -HI 24 116B 0 -22,-2.0 -22,-1.8 -2,-0.4 2,-0.4 -0.964 9.9-172.4-120.3 133.1 37.8 -35.6 51.7 47 54 A F E +HI 23 115B 0 68,-2.9 68,-3.4 -2,-0.4 2,-0.4 -0.982 7.2 171.7-130.0 126.1 38.1 -36.4 55.4 48 55 A Q E -HI 22 114B 40 -26,-1.7 -26,-1.0 -2,-0.4 2,-0.3 -0.978 3.7-180.0-136.3 125.3 40.8 -35.2 57.8 49 56 A S E -HI 21 113B 3 64,-1.5 64,-2.0 -2,-0.4 -28,-0.2 -0.810 28.1-117.4-116.8 159.3 41.0 -35.6 61.6 50 57 A K - 0 0 116 -30,-2.5 56,-0.2 -2,-0.3 3,-0.1 -0.445 55.7 -65.7 -87.6 166.7 43.6 -34.4 64.0 51 58 A P S S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 58,-0.2 -0.177 116.5 18.4 -56.0 148.6 45.6 -37.0 66.1 52 59 A N S S+ 0 0 21 54,-1.5 124,-1.1 56,-0.9 2,-0.3 0.977 95.5 123.5 55.2 68.3 43.7 -39.1 68.6 53 60 A T E -MN 106 175C 2 53,-0.6 53,-1.8 122,-0.2 2,-0.3 -0.857 41.2-149.2-143.5 178.3 40.1 -38.6 67.4 54 61 A I E -MN 105 174C 0 120,-1.2 120,-1.3 -2,-0.3 2,-0.5 -0.979 16.2-129.6-151.0 162.1 37.0 -40.6 66.2 55 62 A L E - N 0 173C 1 49,-1.1 49,-0.4 -2,-0.3 118,-0.2 -0.973 36.6-122.9-115.9 116.5 34.0 -40.5 63.9 56 63 A L - 0 0 0 116,-2.0 46,-0.1 -2,-0.5 77,-0.1 -0.277 47.7 -74.0 -60.3 143.0 30.8 -41.4 65.8 57 64 A P S S+ 0 0 0 0, 0.0 76,-2.2 0, 0.0 77,-0.9 0.018 70.4 143.6 -39.3 134.5 28.9 -44.4 64.2 58 65 A H E -OP 102 132C 4 44,-0.8 44,-1.3 74,-0.3 2,-0.3 -0.972 32.6-152.0-170.1 157.5 27.0 -43.7 61.0 59 66 A H E - P 0 131C 0 72,-2.2 72,-3.0 -2,-0.3 2,-0.3 -0.924 10.7-157.4-133.5 157.5 26.0 -45.1 57.7 60 67 A A E - P 0 130C 4 -2,-0.3 39,-2.3 40,-0.3 2,-1.9 -0.981 29.3-117.1-136.4 148.8 25.3 -43.4 54.3 61 68 A D S S+ 0 0 0 68,-1.1 61,-2.7 -2,-0.3 62,-0.5 -0.265 86.6 91.6 -81.6 53.7 23.3 -44.6 51.4 62 69 A A E S-J 121 0B 0 -2,-1.9 2,-0.5 59,-0.3 -2,-0.2 -0.996 80.2-118.6-147.1 138.5 26.3 -44.5 49.1 63 70 A D E -J 120 0B 11 57,-2.6 57,-2.0 -2,-0.3 2,-0.4 -0.697 38.9-156.8 -77.6 125.5 28.9 -47.2 48.2 64 71 A F E -JK 119 96B 7 32,-2.6 32,-1.0 -2,-0.5 2,-0.5 -0.889 19.1-172.0-108.4 137.0 32.2 -45.8 49.5 65 72 A L E -JK 118 95B 0 53,-1.2 53,-1.4 -2,-0.4 30,-0.3 -0.953 22.9-164.1-126.4 105.5 35.6 -46.7 48.3 66 73 A L E -JK 117 94B 0 28,-2.1 28,-1.5 -2,-0.5 2,-0.3 -0.651 15.3-170.8-101.3 154.6 38.2 -45.1 50.5 67 74 A F E -JK 116 93B 5 49,-2.1 49,-2.8 -2,-0.2 2,-0.7 -0.998 21.0-132.6-139.0 136.1 41.9 -44.4 50.3 68 75 A V E -J 115 0B 0 24,-2.0 23,-3.1 -2,-0.3 47,-0.2 -0.817 18.1-176.9 -93.3 115.5 44.3 -43.1 53.0 69 76 A L E - 0 0 15 45,-2.1 2,-0.3 -2,-0.7 46,-0.2 0.889 67.7 -21.8 -78.9 -39.0 46.5 -40.3 51.7 70 77 A S E S+J 114 0B 34 44,-1.5 44,-1.7 20,-0.1 -1,-0.3 -0.981 101.5 42.2-163.4 164.3 48.5 -40.0 54.9 71 78 A G S S- 0 0 0 -2,-0.3 2,-0.2 42,-0.2 42,-0.1 0.004 80.1 -79.5 79.7 168.8 48.5 -40.8 58.6 72 79 A R + 0 0 80 39,-0.4 36,-0.3 17,-0.1 2,-0.3 -0.639 46.9 177.2-103.8 163.1 47.3 -43.9 60.2 73 80 A A E -Q 88 0C 0 15,-1.9 15,-1.9 -2,-0.2 2,-0.5 -0.979 25.8-138.4-162.3 155.6 43.7 -44.9 60.9 74 81 A I E -QR 87 105C 3 31,-2.3 31,-2.7 -2,-0.3 2,-0.5 -0.988 20.1-165.2-122.9 119.0 41.5 -47.7 62.3 75 82 A L E -QR 86 104C 0 11,-2.6 11,-3.1 -2,-0.5 2,-0.5 -0.911 4.6-173.1-108.1 126.0 38.3 -48.4 60.4 76 83 A T E -QR 85 103C 1 27,-2.2 27,-1.3 -2,-0.5 2,-0.5 -0.982 4.5-165.1-119.7 129.6 35.6 -50.5 62.1 77 84 A L E -QR 84 102C 14 7,-2.3 7,-1.9 -2,-0.5 2,-0.5 -0.965 10.6-149.3-116.0 127.4 32.5 -51.7 60.2 78 85 A V E -QR 83 101C 1 23,-2.4 23,-0.7 -2,-0.5 5,-0.2 -0.845 12.5-171.4-104.0 130.1 29.6 -53.0 62.2 79 86 A N E > -Q 82 0C 37 3,-2.9 3,-0.9 -2,-0.5 21,-0.0 -0.621 41.5-102.4-107.8 168.1 27.2 -55.7 60.9 80 87 A N T 3 S+ 0 0 13 1,-0.3 621,-0.4 -2,-0.2 622,-0.2 0.668 123.8 22.0 -65.1 -14.2 23.9 -57.0 62.3 81 88 A D T 3 S+ 0 0 101 620,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.137 128.4 16.0-140.1 22.7 25.9 -60.0 63.5 82 89 A D E < -Q 79 0C 81 -3,-0.9 -3,-2.9 621,-0.0 2,-0.3 -0.990 54.2-133.2-176.7 176.8 29.5 -59.0 63.7 83 90 A R E -Q 78 0C 75 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.987 15.3-163.0-147.6 142.4 32.1 -56.3 63.8 84 91 A D E -Q 77 0C 59 -7,-1.9 -7,-2.3 -2,-0.3 2,-0.5 -0.990 3.0-158.8-136.5 130.7 35.4 -56.0 61.9 85 92 A S E -Q 76 0C 17 102,-0.5 104,-3.3 -2,-0.4 2,-0.4 -0.909 7.6-170.9-112.2 131.0 38.4 -53.8 62.6 86 93 A Y E -Qs 75 189C 17 -11,-3.1 -11,-2.6 -2,-0.5 2,-0.9 -0.972 16.4-147.4-125.5 131.7 41.0 -52.8 60.0 87 94 A N E -Qs 74 190C 25 102,-3.0 104,-0.6 -2,-0.4 2,-0.2 -0.811 26.3-170.8 -97.9 99.6 44.3 -51.0 60.6 88 95 A L E -Q 73 0C 0 -15,-1.9 -15,-1.9 -2,-0.9 3,-0.0 -0.632 8.9-177.8 -94.0 150.8 45.0 -48.8 57.6 89 96 A H > - 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