Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 7.A N CYS 98.A O no hydrogen 3.327 N/A MET 8.A N TRP 29.A O no hydrogen 3.045 N/A TYR 9.A N LEU 96.A O no hydrogen 3.005 N/A TYR 9.A OH GLU 64.A OE1 no hydrogen 2.856 N/A TYR 9.A OH GLU 64.A OE2 no hydrogen 3.296 N/A HIS 10.A N THR 27.A O no hydrogen 2.940 N/A LEU 11.A N GLY 94.A O no hydrogen 3.081 N/A ALA 12.A N TRP 25.A O no hydrogen 3.241 N/A ALA 13.A N LEU 92.A O no hydrogen 3.051 N/A VAL 14.A N SER 23.A O no hydrogen 3.207 N/A SER 15.A N PHE 90.A O no hydrogen 3.260 N/A SER 15.A OG PHE 90.A O no hydrogen 3.418 N/A SER 18.A N ASP 16.A OD1 no hydrogen 2.809 N/A SER 18.A OG ASP 16.A OD1 no hydrogen 3.069 N/A GLY 20.A N LEU 17.A O no hydrogen 3.319 N/A PHE 24.A N ASN 40.A OD1 no hydrogen 2.347 N/A TRP 25.A N ALA 12.A O no hydrogen 3.204 N/A ALA 26.A N TYR 38.A O no hydrogen 2.788 N/A THR 27.A N HIS 10.A O no hydrogen 3.215 N/A GLY 28.A N LEU 36.A O no hydrogen 3.186 N/A TRP 29.A N MET 8.A O no hydrogen 2.845 N/A TRP 29.A NE1 THR 27.A OG1 no hydrogen 3.031 N/A LEU 30.A N GLN 33.A O no hydrogen 3.173 N/A GLY 31.A N PRO 6.A O no hydrogen 3.023 N/A GLN 33.A NE2 ASN 175.A O no hydrogen 3.162 N/A GLN 34.A NE2 LEU 36.A O no hydrogen 2.883 N/A TYR 35.A N GLY 28.A O no hydrogen 3.012 N/A TYR 35.A OH GLU 64.A OE2 no hydrogen 2.839 N/A LEU 36.A N GLY 28.A O no hydrogen 3.397 N/A THR 37.A N ASP 46.A O no hydrogen 3.007 N/A TYR 38.A N ALA 26.A O no hydrogen 3.060 N/A TYR 38.A OH GLU 72.A OE1 no hydrogen 2.682 N/A ASN 40.A N PHE 24.A O no hydrogen 2.960 N/A LEU 41.A N ASN 39.A OD1 no hydrogen 3.278 N/A ARG 42.A N ASN 39.A O no hydrogen 3.001 N/A GLN 43.A N ASN 39.A O no hydrogen 3.379 N/A GLN 43.A NE2 GLN 43.A O no hydrogen 3.250 N/A ALA 45.A N THR 65.A OG1 no hydrogen 3.061 N/A ASP 46.A N THR 37.A O no hydrogen 2.961 N/A CYS 48.A N TYR 35.A O no hydrogen 3.061 N/A TRP 51.A N CYS 48.A O no hydrogen 3.184 N/A TRP 51.A NE1 GLN 33.A OE1 no hydrogen 3.181 N/A ILE 52.A N GLY 49.A O no hydrogen 3.113 N/A TRP 53.A N ALA 50.A O no hydrogen 2.969 N/A GLU 54.A N TRP 51.A O no hydrogen 3.296 N/A GLN 56.A NE2 GLU 54.A OE1 no hydrogen 3.316 N/A VAL 57.A N GLN 56.A OE1 no hydrogen 3.283 N/A TYR 60.A N VAL 57.A O no hydrogen 3.228 N/A TYR 60.A OH GLU 64.A OE2 no hydrogen 2.829 N/A GLU 62.A N TRP 59.A O no hydrogen 3.055 N/A LYS 63.A N TRP 59.A O no hydrogen 3.115 N/A LYS 63.A NZ ASP 67.A OD2 no hydrogen 3.495 N/A GLU 64.A N TYR 60.A O no hydrogen 3.312 N/A THR 65.A N TRP 61.A O no hydrogen 3.305 N/A THR 65.A OG1 TRP 61.A O no hydrogen 3.090 N/A THR 66.A N GLU 62.A O no hydrogen 3.169 N/A THR 66.A OG1 GLU 62.A O no hydrogen 3.567 N/A THR 66.A OG1 LYS 63.A O no hydrogen 3.097 N/A ASP 67.A N LYS 63.A O no hydrogen 3.118 N/A LEU 68.A N GLU 64.A O no hydrogen 3.101 N/A LYS 69.A N THR 65.A O no hydrogen 2.934 N/A SER 70.A N THR 66.A O no hydrogen 3.318 N/A LYS 71.A N ASP 67.A O no hydrogen 3.407 N/A GLU 72.A N LEU 68.A O no hydrogen 2.995 N/A GLN 73.A N LYS 69.A O no hydrogen 3.388 N/A LEU 74.A N SER 70.A O no hydrogen 3.403 N/A PHE 75.A N LYS 71.A O no hydrogen 3.152 N/A LEU 76.A N GLU 72.A O no hydrogen 3.039 N/A GLU 77.A N GLN 73.A O no hydrogen 3.228 N/A ALA 78.A N LEU 74.A O no hydrogen 3.167 N/A ILE 79.A N PHE 75.A O no hydrogen 3.211 N/A ARG 80.A N LEU 76.A O no hydrogen 3.326 N/A THR 81.A N GLU 77.A O no hydrogen 3.141 N/A THR 81.A OG1 GLU 77.A O no hydrogen 3.252 N/A LEU 82.A N ALA 78.A O no hydrogen 3.356 N/A GLU 83.A N ILE 79.A O no hydrogen 3.016 N/A ASN 84.A N THR 81.A O no hydrogen 2.916 N/A GLN 85.A N THR 81.A O no hydrogen 3.404 N/A ILE 86.A N LEU 82.A O no hydrogen 2.967 N/A PHE 90.A N SER 15.A OG no hydrogen 2.902 N/A THR 91.A N ASN 115.A OD1 no hydrogen 2.902 N/A LEU 92.A N ALA 13.A O no hydrogen 3.024 N/A GLN 93.A N ALA 113.A O no hydrogen 2.919 N/A GLY 94.A N LEU 11.A O no hydrogen 2.971 N/A LEU 95.A N VAL 111.A O no hydrogen 2.991 N/A LEU 96.A N TYR 9.A O no hydrogen 3.351 N/A GLY 97.A N THR 109.A O no hydrogen 3.007 N/A CYS 98.A N LEU 7.A O no hydrogen 3.211 N/A GLU 99.A N LEU 107.A O no hydrogen 3.007 N/A ALA 101.A N SER 105.A O no hydrogen 2.737 N/A ASN 104.A N ALA 101.A O no hydrogen 2.784 N/A SER 105.A N ASP 103.A OD1 no hydrogen 2.863 N/A SER 106.A OG LEU 157.A O no hydrogen 3.233 N/A LEU 107.A N GLU 99.A O no hydrogen 2.917 N/A THR 109.A N GLY 97.A O no hydrogen 3.047 N/A VAL 111.A N LEU 95.A O no hydrogen 3.306 N/A PHE 112.A N MET 120.A O no hydrogen 3.114 N/A ALA 113.A N GLN 93.A O no hydrogen 3.002 N/A LEU 114.A N GLU 117.A O no hydrogen 2.930 N/A ASN 115.A N THR 91.A O no hydrogen 2.846 N/A ASN 115.A ND2 THR 89.A O no hydrogen 3.591 N/A GLU 117.A N LEU 114.A O no hydrogen 3.209 N/A PHE 119.A N PHE 112.A O no hydrogen 3.064 N/A ARG 121.A N SER 130.A O no hydrogen 3.195 N/A ARG 121.A NE GLU 118.A OE2 no hydrogen 2.933 N/A ARG 121.A NH2 GLU 118.A OE1 no hydrogen 3.148 N/A ARG 121.A NH2 GLU 118.A OE2 no hydrogen 3.194 N/A PHE 122.A N ALA 110.A O no hydrogen 3.295 N/A ASN 123.A N ASN 128.A O no hydrogen 3.005 N/A ARG 125.A N ASN 123.A OD1 no hydrogen 2.848 N/A ARG 125.A NH2 SER 106.A O no hydrogen 3.234 N/A THR 126.A N ASN 123.A O no hydrogen 3.335 N/A GLY 127.A N ASN 123.A O no hydrogen 2.749 N/A SER 130.A N ARG 121.A O no hydrogen 2.947 N/A THR 136.A OG1 PHE 119.A O no hydrogen 2.779 N/A THR 136.A OG1 TRP 133.A O no hydrogen 3.302 N/A ASP 137.A N TRP 133.A O no hydrogen 3.457 N/A ILE 138.A N PRO 134.A O no hydrogen 3.315 N/A VAL 139.A N GLU 135.A O no hydrogen 2.965 N/A GLY 140.A N THR 136.A O no hydrogen 2.880 N/A ASN 141.A N ASP 137.A O no hydrogen 3.034 N/A LEU 142.A N ILE 138.A O no hydrogen 3.425 N/A TRP 143.A N VAL 139.A O no hydrogen 2.906 N/A TRP 143.A NE1 LEU 74.A O no hydrogen 3.192 N/A MET 144.A N ASN 141.A O no hydrogen 3.087 N/A LYS 145.A N LEU 142.A O no hydrogen 3.087 N/A GLN 146.A NE2 LYS 145.A O no hydrogen 2.647 N/A ALA 149.A N GLN 146.A O no hydrogen 3.097 N/A ARG 151.A N PRO 147.A O no hydrogen 3.450 N/A LYS 152.A N GLU 148.A O no hydrogen 2.793 N/A LYS 152.A NZ SER 70.A OG no hydrogen 3.010 N/A GLU 153.A N ALA 149.A O no hydrogen 2.989 N/A SER 154.A N ALA 150.A O no hydrogen 3.055 N/A SER 154.A OG PRO 124.A O no hydrogen 2.444 N/A GLU 155.A N ARG 151.A O no hydrogen 3.103 N/A PHE 156.A N LYS 152.A O no hydrogen 2.959 N/A LEU 157.A N GLU 153.A O no hydrogen 3.408 N/A LEU 158.A N SER 154.A O no hydrogen 3.044 N/A THR 159.A N GLU 155.A O no hydrogen 2.851 N/A SER 160.A N GLU 155.A O no hydrogen 3.174 N/A CYS 161.A N PHE 156.A O no hydrogen 3.087 N/A CYS 161.A SG PHE 156.A O no hydrogen 3.694 N/A GLU 163.A N THR 159.A O no hydrogen 3.345 N/A ARG 164.A N SER 160.A O no hydrogen 2.848 N/A ARG 164.A NH2 ASP 67.A OD2 no hydrogen 3.035 N/A LEU 165.A N CYS 161.A O no hydrogen 2.955 N/A LEU 166.A N PRO 162.A O no hydrogen 3.045 N/A GLY 167.A N GLU 163.A O no hydrogen 3.041 N/A HIS 168.A N ARG 164.A O no hydrogen 2.981 N/A HIS 168.A ND1 GLU 54.A OE2 no hydrogen 2.745 N/A HIS 168.A NE2 TYR 60.A OH no hydrogen 2.839 N/A LEU 169.A N LEU 165.A O no hydrogen 3.077 N/A GLU 170.A N GLY 167.A O no hydrogen 3.140 N/A ARG 171.A N GLY 167.A O no hydrogen 2.925 N/A ARG 171.A NH1 ASN 55.A O no hydrogen 3.026 N/A GLY 172.A N HIS 168.A O no hydrogen 2.811 N/A LEU 176.A N GLY 172.A O no hydrogen 3.113 N/A GLU 177.A N ARG 173.A O no hydrogen 3.020 N/A TRP 178.A N ASN 175.A O no hydrogen 3.333 N/A TRP 178.A NE1 GLU 180.A OE1 no hydrogen 3.295 N/A LYS 179.A NZ GLU 177.A O no hydrogen 3.425 N/A GLU 180.A N TYR 206.A O no hydrogen 2.954 N/A SER 183.A N PHE 203.A O no hydrogen 2.896 N/A ARG 185.A N ALA 201.A O no hydrogen 3.111 N/A ARG 185.A NH1 MET 184.A O no hydrogen 2.997 N/A LYS 187.A N THR 199.A O no hydrogen 3.244 N/A ARG 189.A N VAL 197.A O no hydrogen 3.221 N/A GLY 191.A N SER 195.A O no hydrogen 2.850 N/A SER 195.A N ASN 192.A O no hydrogen 3.004 N/A SER 195.A OG SER 193.A O no hydrogen 3.569 N/A SER 196.A N VAL 244.A O no hydrogen 2.910 N/A SER 196.A OG GLU 249.A OE2 no hydrogen 2.723 N/A VAL 197.A N ARG 189.A O no hydrogen 2.925 N/A LEU 198.A N LEU 242.A O no hydrogen 2.876 N/A THR 199.A N LYS 187.A O no hydrogen 3.006 N/A CYS 200.A N SER 240.A O no hydrogen 2.893 N/A ALA 201.A N ARG 185.A O no hydrogen 2.952 N/A ALA 202.A N ALA 238.A O no hydrogen 2.813 N/A PHE 203.A N SER 183.A O no hydrogen 2.812 N/A PHE 205.A N PHE 236.A O no hydrogen 3.208 N/A TYR 206.A N GLU 180.A O no hydrogen 3.056 N/A LYS 211.A N GLU 257.A O no hydrogen 3.253 N/A ARG 213.A N GLN 255.A O no hydrogen 2.983 N/A ARG 213.A NE GLN 255.A OE1 no hydrogen 2.954 N/A ARG 213.A NH2 GLN 255.A OE1 no hydrogen 2.800 N/A ARG 213.A NH2 GLU 257.A OE2 no hydrogen 2.934 N/A PHE 214.A N GLY 222.A O no hydrogen 2.988 N/A LEU 215.A N GLN 253.A O no hydrogen 2.782 N/A ARG 216.A N LEU 219.A O no hydrogen 2.922 N/A ASN 217.A N HIS 251.A O no hydrogen 3.063 N/A LEU 219.A N ARG 216.A O no hydrogen 2.933 N/A SER 221.A N PHE 214.A O no hydrogen 3.081 N/A SER 221.A OG SER 221.A O no hydrogen 2.352 N/A SER 223.A OG GLY 224.A O no hydrogen 3.291 N/A ASN 225.A N LEU 241.A O no hydrogen 2.987 N/A SER 227.A N TRP 239.A O no hydrogen 3.100 N/A GLY 229.A N HIS 237.A O no hydrogen 2.978 N/A ASN 231.A N SER 235.A O no hydrogen 3.011 N/A SER 235.A N ASP 233.A OD1 no hydrogen 3.138 N/A SER 235.A OG ASP 233.A OD1 no hydrogen 2.667 N/A PHE 236.A N PHE 205.A O no hydrogen 2.931 N/A HIS 237.A N GLY 229.A O no hydrogen 3.035 N/A ALA 238.A N ALA 202.A O no hydrogen 3.082 N/A TRP 239.A N SER 227.A O no hydrogen 3.142 N/A SER 240.A N CYS 200.A O no hydrogen 2.932 N/A SER 240.A OG SER 223.A O no hydrogen 2.718 N/A LEU 241.A N ASN 225.A O no hydrogen 3.086 N/A LEU 242.A N LEU 198.A O no hydrogen 3.000 N/A VAL 244.A N SER 196.A O no hydrogen 2.996 N/A ARG 246.A N GLY 194.A O no hydrogen 3.175 N/A GLY 247.A N GLU 249.A OE2 no hydrogen 2.997 N/A ASP 248.A N LYS 245.A O no hydrogen 3.120 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.798 N/A HIS 251.A N ASP 248.A O no hydrogen 3.151 N/A HIS 251.A ND1 ASN 217.A OD1 no hydrogen 3.162 N/A TYR 252.A N GLU 249.A O no hydrogen 3.034 N/A GLN 253.A N LEU 215.A O no hydrogen 2.915 N/A GLN 253.A NE2 ASP 268.A OD1 no hydrogen 2.736 N/A CYS 254.A N VAL 267.A O no hydrogen 3.105 N/A GLN 255.A N ARG 213.A O no hydrogen 2.886 N/A VAL 256.A N LEU 265.A O no hydrogen 3.000 N/A GLU 257.A N LYS 211.A O no hydrogen 3.091 N/A HIS 258.A NE2 TYR 206.A O no hydrogen 3.296 N/A LEU 261.A N HIS 258.A O no hydrogen 2.966 N/A LEU 265.A N VAL 256.A O no hydrogen 3.156 N/A VAL 267.A N CYS 254.A O no hydrogen 2.599 N/A