Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1fnq_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLU 6.A OE2 no hydrogen 2.950 N/A GLU 6.A N LEU 3.A O no hydrogen 2.934 N/A LYS 8.A NZ PHE 5.A O no hydrogen 2.956 N/A TYR 9.A N GLU 6.A O no hydrogen 3.023 N/A ARG 10.A N ARG 7.A O no hydrogen 3.080 N/A ARG 10.A NH2 GLU 6.A OE1 no hydrogen 2.554 N/A VAL 11.A N TYR 9.A O no hydrogen 2.924 N/A GLY 13.A N ASP 23.A OD2 no hydrogen 2.973 N/A THR 15.A OG1 GLY 19.A O no hydrogen 2.822 N/A LEU 16.A N GLU 106.A OE2 no hydrogen 2.542 N/A LEU 21.A N GLY 18.A O no hydrogen 3.156 N/A ASP 23.A N ASN 20.A O no hydrogen 3.293 N/A PHE 24.A N PHE 22.A O no hydrogen 2.968 N/A VAL 26.A N PHE 29.A O no hydrogen 2.905 N/A PHE 29.A N VAL 26.A O no hydrogen 3.124 N/A TYR 30.A OH ASP 23.A OD1 no hydrogen 3.002 N/A VAL 31.A N PHE 24.A O no hydrogen 2.986 N/A GLY 32.A N PHE 22.A O no hydrogen 2.916 N/A GLY 35.A N GLY 32.A O no hydrogen 2.966 N/A VAL 36.A N GLY 32.A O no hydrogen 3.196 N/A ALA 37.A N PHE 33.A O no hydrogen 2.889 N/A THR 38.A N PHE 34.A O no hydrogen 3.074 N/A THR 38.A OG1 PHE 34.A O no hydrogen 3.167 N/A THR 38.A OG1 ALA 96.A O no hydrogen 3.453 N/A PHE 39.A N GLY 35.A O no hydrogen 3.263 N/A PHE 40.A N VAL 36.A O no hydrogen 3.052 N/A PHE 41.A N ALA 37.A O no hydrogen 3.063 N/A ALA 42.A N THR 38.A O no hydrogen 2.785 N/A ALA 43.A N PHE 39.A O no hydrogen 2.746 N/A LEU 44.A N PHE 40.A O no hydrogen 3.025 N/A GLY 45.A N PHE 41.A O no hydrogen 3.252 N/A ILE 46.A N ALA 42.A O no hydrogen 2.994 N/A ILE 47.A N ALA 43.A O no hydrogen 2.821 N/A LEU 48.A N LEU 44.A O no hydrogen 2.860 N/A ILE 49.A N GLY 45.A O no hydrogen 3.098 N/A ALA 50.A N ILE 46.A O no hydrogen 3.038 N/A TRP 51.A N ILE 47.A O no hydrogen 2.927 N/A SER 52.A N LEU 48.A O no hydrogen 2.857 N/A ALA 53.A N ALA 50.A O no hydrogen 2.954 N/A VAL 54.A N ALA 50.A O no hydrogen 3.192 N/A GLN 56.A N ALA 53.A O no hydrogen 3.262 N/A GLN 56.A NE2 LEU 63.A O no hydrogen 3.402 N/A GLY 57.A N ALA 53.A O no hydrogen 3.002 N/A LEU 63.A N ASN 60.A O no hydrogen 2.850 N/A ILE 64.A N ASN 60.A O no hydrogen 2.837 N/A SER 65.A N GLN 56.A OE1 no hydrogen 3.086 N/A SER 65.A OG THR 152.A OG1 no hydrogen 2.754 N/A VAL 66.A N TYR 148.A O no hydrogen 3.189 N/A TYR 73.A N ALA 70.A O no hydrogen 3.013 N/A GLY 74.A N LEU 71.A O no hydrogen 3.016 N/A GLY 76.A N TYR 73.A O no hydrogen 3.288 N/A LYS 82.A N PRO 79.A O no hydrogen 2.883 N/A GLY 84.A N PRO 79.A O no hydrogen 3.176 N/A LEU 85.A N LEU 80.A O no hydrogen 3.247 N/A TRP 86.A NE1 PHE 146.A O no hydrogen 3.086 N/A GLN 87.A N GLY 83.A O no hydrogen 3.223 N/A GLN 87.A NE2 GLY 76.A O no hydrogen 3.083 N/A ILE 88.A N GLY 84.A O no hydrogen 3.120 N/A ILE 89.A N LEU 85.A O no hydrogen 2.968 N/A THR 90.A N TRP 86.A O no hydrogen 2.840 N/A THR 90.A OG1 TRP 86.A O no hydrogen 3.077 N/A THR 90.A OG1 TYR 148.A OH no hydrogen 2.614 N/A ILE 91.A N GLN 87.A O no hydrogen 3.311 N/A CYS 92.A N ILE 88.A O no hydrogen 2.867 N/A CYS 92.A SG ILE 88.A O no hydrogen 3.736 N/A ALA 93.A N ILE 89.A O no hydrogen 2.672 N/A THR 94.A N THR 90.A O no hydrogen 3.101 N/A THR 94.A OG1 THR 90.A O no hydrogen 2.957 N/A GLY 95.A N ILE 91.A O no hydrogen 2.972 N/A ALA 96.A N CYS 92.A O no hydrogen 3.256 N/A ALA 96.A N ALA 93.A O no hydrogen 2.852 N/A PHE 97.A N ALA 93.A O no hydrogen 2.933 N/A VAL 98.A N THR 94.A O no hydrogen 3.174 N/A SER 99.A N GLY 95.A O no hydrogen 3.313 N/A SER 99.A OG GLY 95.A O no hydrogen 2.901 N/A TRP 100.A N ALA 96.A O no hydrogen 2.991 N/A ALA 101.A N PHE 97.A O no hydrogen 2.890 N/A LEU 102.A N VAL 98.A O no hydrogen 2.939 N/A ARG 103.A N SER 99.A O no hydrogen 2.911 N/A ARG 103.A NH2 TYR 30.A O no hydrogen 2.369 N/A GLU 104.A N TRP 100.A O no hydrogen 3.061 N/A VAL 105.A N ALA 101.A O no hydrogen 3.158 N/A GLU 106.A N LEU 102.A O no hydrogen 3.261 N/A ILE 107.A N ARG 103.A O no hydrogen 3.151 N/A CYS 108.A N GLU 104.A O no hydrogen 2.813 N/A CYS 108.A SG GLU 104.A O no hydrogen 3.396 N/A CYS 108.A SG GLY 114.A O no hydrogen 3.232 N/A ARG 109.A N VAL 105.A O no hydrogen 3.104 N/A ARG 109.A NE GLY 14.A O no hydrogen 2.841 N/A LYS 110.A N GLU 106.A O no hydrogen 3.218 N/A LYS 110.A NZ VAL 11.A O no hydrogen 2.851 N/A LYS 110.A NZ GLY 13.A O no hydrogen 2.665 N/A LYS 110.A NZ ASP 23.A OD1 no hydrogen 2.898 N/A LYS 110.A NZ ASP 23.A OD2 no hydrogen 3.525 N/A LEU 111.A N ILE 107.A O no hydrogen 3.193 N/A GLY 112.A N ARG 109.A O no hydrogen 3.374 N/A ILE 113.A N CYS 108.A O no hydrogen 3.228 N/A PHE 119.A N TYR 115.A O no hydrogen 3.249 N/A ALA 120.A N HIS 116.A O no hydrogen 2.925 N/A PHE 121.A N ILE 117.A O no hydrogen 2.834 N/A ALA 122.A N PRO 118.A O no hydrogen 2.991 N/A PHE 123.A N ALA 120.A O no hydrogen 3.031 N/A ILE 125.A N PHE 121.A O no hydrogen 3.161 N/A LEU 126.A N ALA 122.A O no hydrogen 3.132 N/A ALA 127.A N PHE 123.A O no hydrogen 3.096 N/A TYR 128.A N ALA 124.A O no hydrogen 3.076 N/A TYR 128.A OH TYR 148.A OH no hydrogen 2.946 N/A LEU 129.A N ILE 125.A O no hydrogen 3.005 N/A THR 130.A N LEU 126.A O no hydrogen 2.959 N/A THR 130.A OG1 LEU 126.A O no hydrogen 3.013 N/A LEU 131.A N ALA 127.A O no hydrogen 3.279 N/A VAL 132.A N TYR 128.A O no hydrogen 3.079 N/A LEU 133.A N LEU 129.A O no hydrogen 3.003 N/A PHE 134.A N LEU 129.A O no hydrogen 2.896 N/A ARG 135.A N THR 130.A O no hydrogen 2.870 N/A ARG 135.A NH2 THR 251.A O no hydrogen 2.638 N/A VAL 137.A N LEU 133.A O no hydrogen 2.949 N/A MET 138.A N PHE 134.A O no hydrogen 3.069 N/A MET 139.A N ARG 135.A O no hydrogen 2.954 N/A GLY 140.A N PRO 136.A O no hydrogen 2.879 N/A ALA 141.A N PRO 136.A O no hydrogen 3.244 N/A TYR 144.A N ALA 141.A O no hydrogen 3.264 N/A ALA 145.A N TRP 142.A O no hydrogen 3.074 N/A TYR 148.A N VAL 66.A O no hydrogen 3.164 N/A TYR 148.A OH THR 90.A OG1 no hydrogen 2.614 N/A GLY 149.A N PRO 147.A O no hydrogen 2.959 N/A THR 152.A OG1 SER 65.A OG no hydrogen 2.754 N/A HIS 153.A N GLY 149.A O no hydrogen 3.048 N/A HIS 153.A ND1 GLY 149.A O no hydrogen 2.855 N/A ASP 155.A N TRP 151.A O no hydrogen 2.981 N/A TRP 156.A N THR 152.A O no hydrogen 2.950 N/A TRP 156.A NE1 TYR 144.A O no hydrogen 3.091 N/A VAL 157.A N HIS 153.A O no hydrogen 3.092 N/A SER 158.A N LEU 154.A O no hydrogen 2.980 N/A ASN 159.A N ASP 155.A O no hydrogen 2.827 N/A THR 160.A N TRP 156.A O no hydrogen 2.908 N/A THR 160.A OG1 TRP 156.A O no hydrogen 2.673 N/A GLY 161.A N VAL 157.A O no hydrogen 2.837 N/A TYR 162.A N SER 158.A O no hydrogen 2.995 N/A THR 163.A N ASN 159.A O no hydrogen 2.972 N/A THR 163.A OG1 ASN 159.A O no hydrogen 2.703 N/A TYR 164.A N GLY 161.A O no hydrogen 2.998 N/A GLY 165.A N TYR 162.A O no hydrogen 3.029 N/A ASN 166.A ND2 HIS 168.A ND1 no hydrogen 3.072 N/A HIS 168.A N ASN 166.A OD1 no hydrogen 3.036 N/A TYR 169.A N ASN 166.A O no hydrogen 3.278 N/A ASN 170.A N PHE 167.A O no hydrogen 3.154 N/A ASN 170.A ND2 CYS 247.A O no hydrogen 2.908 N/A ALA 172.A N ASN 170.A OD1 no hydrogen 3.118 N/A HIS 173.A N ASN 170.A O no hydrogen 3.120 N/A HIS 173.A N ASN 170.A OD1 no hydrogen 3.326 N/A MET 174.A N ASN 170.A O no hydrogen 3.004 N/A ILE 175.A N PRO 171.A O no hydrogen 3.221 N/A ALA 176.A N ALA 172.A O no hydrogen 3.298 N/A ILE 177.A N HIS 173.A O no hydrogen 3.143 N/A SER 178.A N MET 174.A O no hydrogen 3.331 N/A SER 178.A OG MET 174.A O no hydrogen 3.113 N/A PHE 179.A N ILE 175.A O no hydrogen 3.233 N/A PHE 180.A N ALA 176.A O no hydrogen 3.072 N/A PHE 181.A N ILE 177.A O no hydrogen 2.824 N/A THR 182.A N SER 178.A O no hydrogen 2.836 N/A THR 182.A OG1 SER 178.A O no hydrogen 2.657 N/A ASN 183.A N PHE 179.A O no hydrogen 2.627 N/A ALA 184.A N PHE 180.A O no hydrogen 3.243 N/A LEU 185.A N PHE 181.A O no hydrogen 3.099 N/A ALA 186.A N THR 182.A O no hydrogen 2.901 N/A LEU 187.A N ASN 183.A O no hydrogen 3.093 N/A ALA 188.A N ALA 184.A O no hydrogen 3.008 N/A LEU 189.A N LEU 185.A O no hydrogen 2.986 N/A HIS 190.A N ALA 186.A O no hydrogen 2.831 N/A GLY 191.A N LEU 187.A O no hydrogen 3.178 N/A ALA 192.A N ALA 188.A O no hydrogen 3.028 N/A LEU 193.A N LEU 189.A O no hydrogen 2.813 N/A VAL 194.A N HIS 190.A O no hydrogen 3.202 N/A LEU 195.A N GLY 191.A O no hydrogen 3.238 N/A SER 196.A N ALA 192.A O no hydrogen 2.861 N/A SER 196.A OG ALA 192.A O no hydrogen 3.173 N/A SER 196.A OG LEU 193.A O no hydrogen 2.764 N/A ALA 197.A N LEU 193.A O no hydrogen 2.986 N/A ALA 198.A N VAL 194.A O no hydrogen 2.849 N/A ASN 199.A N LEU 195.A O no hydrogen 2.760 N/A ASN 199.A ND2 LEU 195.A O no hydrogen 3.262 N/A LYS 204.A N GLU 201.A O no hydrogen 3.013 N/A LYS 204.A NZ GLU 201.A OE2 no hydrogen 3.545 N/A ARG 207.A N ALA 197.A O no hydrogen 3.103 N/A ARG 207.A NE GLU 205.A O no hydrogen 3.031 N/A ARG 207.A NH1 GLU 205.A O no hydrogen 2.662 N/A THR 208.A N HIS 211.A ND1 no hydrogen 3.124 N/A THR 208.A OG1 ASP 210.A OD1 no hydrogen 3.540 N/A THR 208.A OG1 HIS 211.A ND1 no hydrogen 2.821 N/A ASP 210.A N THR 208.A OG1 no hydrogen 3.276 N/A HIS 211.A ND1 THR 208.A OG1 no hydrogen 2.821 N/A GLU 212.A N THR 208.A O no hydrogen 3.224 N/A ASP 213.A N GLU 209.A O no hydrogen 3.105 N/A THR 214.A N ASP 210.A O no hydrogen 2.881 N/A THR 214.A OG1 ASP 210.A O no hydrogen 2.673 N/A PHE 215.A N HIS 211.A O no hydrogen 2.882 N/A PHE 216.A N GLU 212.A O no hydrogen 3.266 N/A ARG 217.A N ASP 213.A O no hydrogen 3.028 N/A ASP 218.A N THR 214.A O no hydrogen 2.695 N/A LEU 219.A N PHE 215.A O no hydrogen 3.001 N/A VAL 220.A N PHE 216.A O no hydrogen 2.700 N/A GLY 221.A N ARG 217.A O no hydrogen 2.898 N/A SER 223.A OG ASP 213.A OD1 no hydrogen 2.768 N/A ILE 229.A N GLY 225.A O no hydrogen 2.867 N/A HIS 230.A ND1 THR 226.A O no hydrogen 2.692 N/A ARG 231.A N LEU 227.A O no hydrogen 3.087 N/A LEU 232.A N GLY 228.A O no hydrogen 2.736 N/A GLY 233.A N ILE 229.A O no hydrogen 3.022 N/A LEU 234.A N HIS 230.A O no hydrogen 3.315 N/A LEU 235.A N ARG 231.A O no hydrogen 3.235 N/A LEU 235.A N LEU 232.A O no hydrogen 2.821 N/A LEU 236.A N LEU 232.A O no hydrogen 2.773 N/A SER 237.A N GLY 233.A O no hydrogen 3.157 N/A SER 237.A OG GLY 233.A O no hydrogen 3.517 N/A LEU 238.A N LEU 234.A O no hydrogen 3.112 N/A SER 239.A N LEU 235.A O no hydrogen 2.894 N/A SER 239.A OG LEU 235.A O no hydrogen 2.777 N/A ALA 240.A N LEU 236.A O no hydrogen 2.790 N/A VAL 241.A N SER 237.A O no hydrogen 3.246 N/A PHE 242.A N LEU 238.A O no hydrogen 3.109 N/A PHE 243.A N SER 239.A O no hydrogen 2.984 N/A SER 244.A N ALA 240.A O no hydrogen 2.970 N/A SER 244.A OG ALA 240.A O no hydrogen 3.106 N/A ALA 245.A N VAL 241.A O no hydrogen 3.152 N/A LEU 246.A N PHE 242.A O no hydrogen 3.169 N/A CYS 247.A N PHE 243.A O no hydrogen 2.862 N/A CYS 247.A SG SER 244.A O no hydrogen 3.225 N/A MET 248.A N SER 244.A O no hydrogen 3.387 N/A ILE 249.A N ALA 245.A O no hydrogen 3.047 N/A ILE 250.A N LEU 246.A O no hydrogen 3.259 N/A THR 251.A N MET 248.A O no hydrogen 3.239 N/A THR 251.A OG1 CYS 247.A O no hydrogen 3.081 N/A GLY 252.A N TRP 255.A O no hydrogen 2.621 N/A THR 253.A OG1 ILE 249.A O no hydrogen 2.806 N/A ILE 254.A N ILE 250.A O no hydrogen 3.412 N/A TRP 255.A N ILE 250.A O no hydrogen 3.107 N/A TRP 259.A N TYR 164.A O no hydrogen 3.029 N/A TRP 259.A NE1 THR 251.A OG1 no hydrogen 2.907 N/A ASP 261.A N GLN 258.A O no hydrogen 3.173 N/A TRP 262.A N TRP 259.A O no hydrogen 3.270 N/A TRP 263.A NE1 TYR 169.A O no hydrogen 2.932 N/A GLN 264.A N ASP 261.A O no hydrogen 3.255 N/A TRP 265.A N TRP 262.A O no hydrogen 3.300 N/A LYS 268.A N GLN 264.A O no hydrogen 2.943 N/A LYS 268.A NZ ALA 273.A O no hydrogen 3.540 N/A LEU 269.A N TRP 266.A O no hydrogen 3.447 N/A TRP 272.A N LEU 269.A O no hydrogen 3.027 N/A TRP 272.A NE1 TRP 266.A O no hydrogen 2.898 N/A GLY 277.A N GLY 281.A OXT no hydrogen 3.027 N/A