Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mxy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N ASP 2.A OD1 no hydrogen 3.270 N/A GLU 5.A N ASP 2.A O no hydrogen 3.189 N/A ILE 6.A N VAL 72.A O no hydrogen 3.162 N/A ARG 8.A N GLU 75.A OE2 no hydrogen 3.051 N/A ARG 8.A NH1 GLU 75.A O no hydrogen 2.655 N/A ARG 8.A NH1 PRO 77.A O no hydrogen 2.637 N/A ARG 8.A NH2 GLU 75.A O no hydrogen 2.591 N/A SER 10.A N PRO 7.A O no hydrogen 3.115 N/A SER 10.A OG PRO 7.A O no hydrogen 3.000 N/A SER 10.A OG ASN 31.A OD1 no hydrogen 3.012 N/A LEU 11.A N ARG 8.A O no hydrogen 2.808 N/A ARG 12.A N THR 29.A O no hydrogen 2.864 N/A GLU 14.A N MET 27.A O no hydrogen 3.230 N/A LYS 16.A NZ GLN 19.A OE1 no hydrogen 3.435 N/A LYS 16.A NZ GLU 24.A OE1 no hydrogen 3.304 N/A LEU 17.A N VAL 25.A O no hydrogen 2.623 N/A GLY 18.A N VAL 25.A O no hydrogen 3.179 N/A GLN 19.A NE2 GLY 23.A O no hydrogen 3.463 N/A GLU 24.A N THR 40.A O no hydrogen 3.432 N/A VAL 25.A N GLY 18.A O no hydrogen 3.064 N/A TRP 26.A N ILE 38.A O no hydrogen 3.031 N/A TRP 26.A NE1 GLU 24.A OE1 no hydrogen 2.636 N/A MET 27.A N VAL 15.A O no hydrogen 3.069 N/A GLY 28.A N VAL 36.A O no hydrogen 3.069 N/A THR 29.A N ARG 12.A O no hydrogen 3.080 N/A THR 29.A OG1 GLU 14.A OE1 no hydrogen 2.829 N/A TRP 30.A N THR 34.A O no hydrogen 2.650 N/A ASN 31.A N SER 10.A O no hydrogen 2.937 N/A THR 33.A N TRP 30.A O no hydrogen 3.330 N/A THR 33.A OG1 ASN 31.A O no hydrogen 3.090 N/A THR 34.A N TRP 30.A O no hydrogen 3.179 N/A THR 34.A OG1 TRP 30.A O no hydrogen 3.067 N/A VAL 36.A N GLY 28.A O no hydrogen 3.304 N/A ALA 37.A N MET 82.A O no hydrogen 2.874 N/A ILE 38.A N TRP 26.A O no hydrogen 3.025 N/A LYS 39.A N ILE 80.A O no hydrogen 3.069 N/A THR 40.A N GLU 24.A O no hydrogen 2.850 N/A LEU 41.A N ILE 78.A O no hydrogen 3.247 N/A THR 45.A N LYS 42.A O no hydrogen 3.233 N/A THR 45.A OG1 PHE 22.A O no hydrogen 2.760 N/A THR 45.A OG1 LYS 42.A O no hydrogen 2.747 N/A ALA 50.A N SER 47.A O no hydrogen 3.416 N/A PHE 51.A N SER 47.A O no hydrogen 3.261 N/A LEU 52.A N PRO 48.A O no hydrogen 2.778 N/A GLN 53.A NE2 GLN 53.A O no hydrogen 3.694 N/A VAL 57.A N GLN 53.A O no hydrogen 3.286 N/A LEU 58.A N GLU 54.A O no hydrogen 3.089 N/A LYS 59.A N ALA 55.A O no hydrogen 2.637 N/A LYS 59.A NZ ASP 2.A OD1 no hydrogen 3.412 N/A LYS 59.A NZ ASP 2.A OD2 no hydrogen 2.815 N/A LEU 61.A N VAL 57.A O no hydrogen 3.096 N/A ARG 62.A N TYR 120.A OH no hydrogen 2.889 N/A LYS 65.A NZ GLN 113.A OE1 no hydrogen 3.218 N/A LEU 66.A N HIS 63.A O no hydrogen 3.282 N/A VAL 67.A N VAL 146.A O no hydrogen 2.709 N/A GLN 68.A N GLU 83.A OE2 no hydrogen 2.836 N/A TYR 70.A N VAL 81.A O no hydrogen 2.732 N/A ALA 71.A N VAL 81.A O no hydrogen 3.076 N/A VAL 72.A N TRP 4.A O no hydrogen 2.871 N/A VAL 73.A N TYR 79.A O no hydrogen 2.959 N/A SER 74.A OG GLU 5.A OE2 no hydrogen 2.805 N/A ILE 80.A N LYS 39.A O no hydrogen 2.950 N/A VAL 81.A N ALA 71.A O no hydrogen 2.773 N/A MET 82.A N ALA 37.A O no hydrogen 2.847 N/A GLU 83.A N GLN 68.A O no hydrogen 2.819 N/A LYS 87.A N VAL 138.A O no hydrogen 3.025 N/A LYS 87.A NZ GLU 140.A OE1 no hydrogen 3.411 N/A GLY 88.A N MET 85.A O no hydrogen 3.281 N/A SER 89.A OG ALA 134.A O no hydrogen 3.493 N/A LEU 90.A N ILE 136.A O no hydrogen 2.485 N/A LEU 91.A N SER 89.A OG no hydrogen 3.070 N/A PHE 93.A N SER 89.A O no hydrogen 2.807 N/A LEU 94.A N LEU 90.A O no hydrogen 2.865 N/A LYS 95.A N LEU 91.A O no hydrogen 2.978 N/A GLY 96.A N ASP 92.A O no hydrogen 2.760 N/A GLY 99.A N GLY 96.A O no hydrogen 2.984 N/A LYS 100.A NZ GLU 97.A O no hydrogen 3.397 N/A TYR 101.A N THR 98.A O no hydrogen 2.913 N/A LEU 102.A N THR 98.A O no hydrogen 3.405 N/A LEU 102.A N GLY 99.A O no hydrogen 3.034 N/A ARG 103.A N GLN 106.A OE1 no hydrogen 3.216 N/A ARG 103.A NH1 ASN 265.A O no hydrogen 3.511 N/A LEU 104.A N LEU 266.A OXT no hydrogen 3.135 N/A LEU 107.A N ARG 103.A O no hydrogen 2.847 N/A VAL 108.A N LEU 104.A O no hydrogen 2.659 N/A ASP 109.A N PRO 105.A O no hydrogen 3.183 N/A MET 110.A N GLN 106.A O no hydrogen 2.980 N/A ALA 111.A N LEU 107.A O no hydrogen 2.987 N/A ALA 112.A N VAL 108.A O no hydrogen 2.713 N/A GLN 113.A N ASP 109.A O no hydrogen 3.096 N/A GLN 113.A NE2 ASP 109.A O no hydrogen 3.223 N/A GLN 113.A NE2 ASP 109.A OD2 no hydrogen 2.853 N/A GLN 113.A NE2 LEU 142.A O no hydrogen 3.144 N/A ILE 114.A N MET 110.A O no hydrogen 3.150 N/A ALA 115.A N ALA 111.A O no hydrogen 2.820 N/A SER 116.A N ALA 112.A O no hydrogen 2.748 N/A SER 116.A OG GLN 246.A OE1 no hydrogen 3.134 N/A GLY 117.A N GLN 113.A O no hydrogen 2.852 N/A MET 118.A N ILE 114.A O no hydrogen 2.827 N/A ALA 119.A N ALA 115.A O no hydrogen 2.721 N/A ALA 119.A N SER 116.A O no hydrogen 3.159 N/A TYR 120.A N SER 116.A O no hydrogen 3.221 N/A VAL 121.A N GLY 117.A O no hydrogen 3.097 N/A GLU 122.A N MET 118.A O no hydrogen 2.792 N/A ARG 123.A N ALA 119.A O no hydrogen 3.059 N/A MET 124.A N TYR 120.A O no hydrogen 2.929 N/A MET 124.A N VAL 121.A O no hydrogen 3.155 N/A ASN 125.A N GLU 122.A O no hydrogen 3.249 N/A TYR 126.A N VAL 121.A O no hydrogen 3.226 N/A VAL 127.A N ARG 153.A O no hydrogen 3.007 N/A HIS 128.A N ASP 177.A OD2 no hydrogen 2.609 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 3.036 N/A ARG 129.A N ASP 177.A OD1 no hydrogen 2.938 N/A ARG 129.A NH1 LEU 151.A O no hydrogen 2.889 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.209 N/A ARG 132.A NE ASP 130.A OD1 no hydrogen 2.558 N/A ARG 132.A NH2 ASP 130.A OD2 no hydrogen 3.017 N/A ALA 133.A N GLU 187.A OE1 no hydrogen 2.758 N/A ASN 135.A N ARG 132.A O no hydrogen 2.844 N/A ILE 136.A N ALA 133.A O no hydrogen 3.079 N/A LEU 137.A N LYS 145.A O no hydrogen 2.949 N/A VAL 138.A N GLY 88.A O no hydrogen 2.972 N/A GLY 139.A N VAL 143.A O no hydrogen 2.799 N/A VAL 143.A N GLU 140.A O no hydrogen 3.162 N/A CYS 144.A N GLN 113.A OE1 no hydrogen 2.734 N/A CYS 144.A SG LEU 142.A O no hydrogen 3.900 N/A LYS 145.A N LEU 137.A O no hydrogen 2.797 N/A LYS 145.A NZ GLU 64.A O no hydrogen 3.049 N/A LYS 145.A NZ GLU 83.A OE1 no hydrogen 2.696 N/A LYS 145.A NZ GLU 83.A OE2 no hydrogen 3.463 N/A VAL 146.A N LYS 65.A O no hydrogen 2.793 N/A ALA 147.A N ASN 135.A O no hydrogen 3.077 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 3.338 N/A ALA 152.A N PHE 149.A O no hydrogen 2.582 N/A ARG 153.A N VAL 127.A O no hydrogen 3.455 N/A ARG 153.A NH2 PHE 172.A O no hydrogen 3.215 N/A ILE 155.A N ASN 125.A O no hydrogen 3.385 N/A GLU 156.A N LEU 154.A O no hydrogen 2.870 N/A LYS 160.A NZ MET 199.A O no hydrogen 2.858 N/A LYS 160.A NZ ASN 201.A OD1 no hydrogen 3.346 N/A THR 162.A N ILE 159.A O no hydrogen 3.099 N/A THR 162.A OG1 PHE 157.A O no hydrogen 3.530 N/A THR 162.A OG1 PRO 158.A O no hydrogen 2.596 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.919 N/A ALA 166.A N ALA 163.A O no hydrogen 2.886 N/A ALA 167.A N ALA 163.A O no hydrogen 2.849 N/A LEU 168.A N PRO 164.A O no hydrogen 2.755 N/A TYR 169.A N GLU 165.A O no hydrogen 3.105 N/A ARG 171.A N GLU 165.A O no hydrogen 3.120 N/A PHE 172.A N GLY 170.A O no hydrogen 2.993 N/A THR 173.A N SER 176.A OG no hydrogen 2.745 N/A LYS 175.A NZ ARG 239.A O no hydrogen 3.055 N/A LYS 175.A NZ PRO 240.A O no hydrogen 3.493 N/A SER 176.A N THR 173.A O no hydrogen 2.706 N/A SER 176.A OG THR 173.A O no hydrogen 2.723 N/A ASP 177.A N THR 173.A O no hydrogen 3.031 N/A VAL 178.A N ILE 174.A O no hydrogen 2.930 N/A TRP 179.A N LYS 175.A O no hydrogen 3.308 N/A SER 180.A N SER 176.A O no hydrogen 3.146 N/A SER 180.A OG TRP 161.A O no hydrogen 2.800 N/A SER 180.A OG SER 176.A O no hydrogen 2.978 N/A PHE 181.A N ASP 177.A O no hydrogen 2.733 N/A GLY 182.A N VAL 178.A O no hydrogen 2.998 N/A ILE 183.A N TRP 179.A O no hydrogen 3.263 N/A LEU 184.A N SER 180.A O no hydrogen 2.681 N/A LEU 185.A N PHE 181.A O no hydrogen 2.737 N/A THR 186.A N ILE 183.A O no hydrogen 2.855 N/A THR 186.A OG1 ILE 183.A O no hydrogen 2.476 N/A GLU 187.A N ILE 183.A O no hydrogen 3.248 N/A LEU 188.A N LEU 184.A O no hydrogen 3.156 N/A THR 189.A N LEU 185.A O no hydrogen 3.302 N/A THR 189.A OG1 LEU 185.A O no hydrogen 3.050 N/A THR 189.A OG1 THR 186.A O no hydrogen 3.366 N/A THR 190.A N GLU 187.A O no hydrogen 3.326 N/A THR 190.A OG1 THR 186.A O no hydrogen 2.742 N/A THR 190.A OG1 GLU 187.A O no hydrogen 3.491 N/A LYS 191.A N LEU 188.A O no hydrogen 3.293 N/A LYS 191.A NZ GLY 99.A O no hydrogen 3.420 N/A LYS 191.A NZ LEU 102.A O no hydrogen 2.888 N/A LYS 191.A NZ ASN 265.A O no hydrogen 3.285 N/A GLY 192.A N GLU 187.A O no hydrogen 2.702 N/A MET 199.A N TYR 196.A O no hydrogen 3.034 N/A VAL 204.A N VAL 200.A O no hydrogen 2.872 N/A LEU 205.A N ASN 201.A O no hydrogen 2.889 N/A ASP 206.A N ARG 202.A O no hydrogen 2.950 N/A GLN 207.A N GLU 203.A O no hydrogen 2.882 N/A VAL 208.A N VAL 204.A O no hydrogen 2.878 N/A GLU 209.A N LEU 205.A O no hydrogen 3.343 N/A ARG 210.A N ASP 206.A O no hydrogen 3.373 N/A GLY 211.A N VAL 208.A O no hydrogen 3.040 N/A TYR 212.A N GLN 207.A O no hydrogen 2.800 N/A ARG 213.A NE TRP 232.A O no hydrogen 2.888 N/A ARG 213.A NH1 VAL 208.A O no hydrogen 3.059 N/A ARG 213.A NH1 TYR 212.A O no hydrogen 2.995 N/A ARG 213.A NH2 TRP 232.A O no hydrogen 2.665 N/A CYS 216.A SG PRO 217.A O no hydrogen 3.618 N/A CYS 216.A SG CYS 220.A O no hydrogen 2.746 N/A CYS 216.A SG PRO 221.A O no hydrogen 3.779 N/A CYS 220.A N PRO 217.A O no hydrogen 2.976 N/A CYS 220.A SG PRO 221.A O no hydrogen 3.404 N/A SER 223.A OG TYR 252.A OH no hydrogen 2.725 N/A SER 223.A OG GLU 257.A OE2 no hydrogen 2.647 N/A LEU 224.A N PRO 221.A O no hydrogen 3.181 N/A HIS 225.A N PRO 221.A O no hydrogen 3.260 N/A HIS 225.A NE2 MET 214.A O no hydrogen 2.808 N/A ASP 226.A N GLU 222.A O no hydrogen 2.752 N/A LEU 227.A N SER 223.A O no hydrogen 3.334 N/A MET 228.A N LEU 224.A O no hydrogen 3.292 N/A CYS 229.A N HIS 225.A O no hydrogen 3.001 N/A CYS 229.A SG HIS 225.A O no hydrogen 3.334 N/A GLN 230.A N ASP 226.A O no hydrogen 2.909 N/A CYS 231.A N LEU 227.A O no hydrogen 3.008 N/A CYS 231.A SG LEU 227.A O no hydrogen 3.348 N/A TRP 232.A N CYS 229.A O no hydrogen 2.940 N/A ARG 233.A N GLN 230.A O no hydrogen 3.315 N/A ARG 233.A NE GLU 238.A O no hydrogen 2.987 N/A ARG 233.A NH2 GLU 238.A O no hydrogen 3.008 N/A GLU 238.A N GLU 235.A O no hydrogen 2.778 N/A ARG 239.A N PRO 236.A O no hydrogen 3.353 N/A ARG 239.A NE LYS 175.A O no hydrogen 3.187 N/A ARG 239.A NH1 GLU 165.A OE1 no hydrogen 3.399 N/A ARG 239.A NH1 ARG 233.A O no hydrogen 2.682 N/A ARG 239.A NH2 GLU 165.A OE1 no hydrogen 3.401 N/A ARG 239.A NH2 GLU 165.A OE2 no hydrogen 2.519 N/A ARG 239.A NH2 LYS 175.A O no hydrogen 2.932 N/A PHE 242.A N GLU 122.A OE2 no hydrogen 3.071 N/A GLU 243.A N GLU 122.A OE1 no hydrogen 3.229 N/A TYR 244.A N THR 241.A OG1 no hydrogen 3.111 N/A LEU 245.A N THR 241.A O no hydrogen 3.010 N/A GLN 246.A N PHE 242.A O no hydrogen 2.757 N/A ALA 247.A N GLU 243.A O no hydrogen 3.174 N/A PHE 248.A N TYR 244.A O no hydrogen 2.821 N/A LEU 249.A N LEU 245.A O no hydrogen 3.071 N/A GLU 250.A N GLN 246.A O no hydrogen 3.044 N/A ASP 251.A N ALA 247.A O no hydrogen 3.111 N/A TYR 252.A N LEU 249.A O no hydrogen 3.250 N/A TYR 252.A OH SER 223.A OG no hydrogen 2.725 N/A THR 254.A N ASP 251.A O no hydrogen 2.998 N/A SER 255.A N ASP 251.A O no hydrogen 2.936 N/A THR 256.A N TYR 252.A O no hydrogen 2.732 N/A GLU 257.A N TYR 252.A O no hydrogen 2.976 N/A TYR 260.A N GLU 257.A O no hydrogen 3.078 N/A TYR 260.A OH LEU 266.A OXT no hydrogen 2.693 N/A GLY 263.A N LEU 266.A O no hydrogen 2.984 N/A ASN 265.A N GLU 219.A OE1 no hydrogen 2.909 N/A ASN 265.A ND2 GLU 219.A OE2 no hydrogen 2.943 N/A LEU 266.A N GLU 219.A OE1 no hydrogen 2.982 N/A