Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h9q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N SER 49.A O no hydrogen 2.734 N/A ILE 4.A N ILE 79.A O no hydrogen 2.975 N/A LEU 5.A N PHE 45.A O no hydrogen 2.898 N/A GLY 6.A N PHE 77.A O no hydrogen 2.906 N/A TYR 8.A OH PHE 76.A O no hydrogen 2.933 N/A VAL 9.A N GLY 6.A O no hydrogen 3.303 N/A ALA 12.A N LEU 19.A O no hydrogen 3.052 N/A ARG 13.A NE SER 16.A O no hydrogen 3.277 N/A ARG 13.A NE GLY 17.A O no hydrogen 3.106 N/A ARG 13.A NH2 SER 16.A O no hydrogen 3.083 N/A TYR 14.A N GLY 17.A O no hydrogen 3.214 N/A SER 16.A OG TYR 28.A OH no hydrogen 2.946 N/A SER 16.A OG GLU 30.A O no hydrogen 2.995 N/A GLY 18.A N VAL 29.A O no hydrogen 3.059 N/A LEU 19.A N ALA 12.A O no hydrogen 2.695 N/A VAL 20.A N GLN 27.A O no hydrogen 2.933 N/A GLY 21.A N LYS 10.A O no hydrogen 2.799 N/A GLU 26.A N GLY 23.A O no hydrogen 3.148 N/A GLN 27.A N VAL 20.A O no hydrogen 3.141 N/A GLN 27.A NE2 LYS 25.A O no hydrogen 3.090 N/A VAL 29.A N GLY 18.A O no hydrogen 3.061 N/A TRP 35.A N ASN 31.A O no hydrogen 2.966 N/A GLU 36.A N LEU 32.A O no hydrogen 3.049 N/A ASN 37.A N VAL 33.A O no hydrogen 3.225 N/A ILE 38.A N LEU 34.A O no hydrogen 2.906 N/A ILE 39.A N TRP 35.A O no hydrogen 3.075 N/A LYS 40.A N GLU 36.A O no hydrogen 3.066 N/A LYS 40.A NZ ASN 37.A OD1 no hydrogen 3.067 N/A THR 41.A N ASN 37.A O no hydrogen 2.989 N/A THR 41.A OG1 ASN 37.A O no hydrogen 3.058 N/A THR 41.A OG1 ILE 38.A O no hydrogen 2.506 N/A ALA 42.A N ILE 38.A O no hydrogen 2.869 N/A TYR 43.A N ILE 39.A O no hydrogen 3.055 N/A CYS 44.A N LYS 40.A O no hydrogen 3.318 N/A CYS 44.A N THR 41.A O no hydrogen 2.925 N/A CYS 44.A SG LYS 40.A O no hydrogen 3.404 N/A CYS 44.A SG ALA 54.A O no hydrogen 3.438 N/A CYS 44.A SG THR 57.A OG1 no hydrogen 3.435 N/A PHE 45.A N ALA 42.A O no hydrogen 2.892 N/A ILE 46.A N TYR 43.A O no hydrogen 3.385 N/A THR 47.A OG1 SER 49.A OG no hydrogen 3.349 N/A SER 49.A N TYR 3.A O no hydrogen 2.904 N/A SER 49.A OG THR 47.A O no hydrogen 2.650 N/A ALA 53.A N SER 50.A OG no hydrogen 3.133 N/A ALA 54.A N SER 50.A O no hydrogen 2.984 N/A LEU 55.A N TYR 51.A O no hydrogen 3.034 N/A GLU 56.A N THR 52.A O no hydrogen 3.153 N/A THR 57.A N ALA 54.A O no hydrogen 3.320 N/A THR 57.A OG1 ALA 54.A O no hydrogen 2.872 N/A ALA 58.A N LEU 55.A O no hydrogen 2.940 N/A PHE 65.A N PRO 61.A O no hydrogen 3.045 N/A SER 66.A N GLU 62.A O no hydrogen 3.363 N/A ASN 67.A N LYS 63.A O no hydrogen 3.076 N/A CYS 68.A N ASP 64.A O no hydrogen 2.793 N/A CYS 68.A SG ASP 64.A O no hydrogen 3.502 N/A PHE 69.A N PHE 65.A O no hydrogen 2.829 N/A ARG 70.A N SER 66.A O no hydrogen 3.057 N/A ARG 70.A NH1 ASN 67.A OD1 no hydrogen 2.511 N/A PHE 71.A N ASN 67.A O no hydrogen 3.038 N/A LEU 72.A N CYS 68.A O no hydrogen 3.069 N/A LYS 73.A N PHE 69.A O no hydrogen 2.892 N/A GLU 74.A N ARG 70.A O no hydrogen 3.123 N/A ASN 75.A N PHE 71.A O no hydrogen 3.293 N/A ASN 75.A ND2 PHE 71.A O no hydrogen 2.783 N/A PHE 76.A N LYS 73.A O no hydrogen 3.030 N/A PHE 77.A N LEU 72.A O no hydrogen 2.725 N/A ILE 78.A N LEU 72.A O no hydrogen 3.395 N/A ILE 79.A N ILE 4.A O no hydrogen 3.241 N/A GLY 81.A N ASP 2.A O no hydrogen 2.834 N/A TYR 83.A N PRO 80.A O no hydrogen 2.870 N/A ARG 88.A NH1 GLU 181.A OE2 no hydrogen 2.931 N/A ARG 88.A NH2 ARG 178.A O no hydrogen 2.716 N/A SER 90.A N ASN 87.A O no hydrogen 3.125 N/A SER 90.A OG ASN 87.A O no hydrogen 2.871 N/A PHE 93.A N SER 90.A O no hydrogen 3.134 N/A LEU 94.A N ARG 91.A O no hydrogen 3.298 N/A HIS 95.A NE2 TYR 302.A OH no hydrogen 2.968 N/A TYR 96.A N ASN 92.A O no hydrogen 3.119 N/A GLN 97.A N PHE 93.A O no hydrogen 2.811 N/A SER 98.A N LEU 94.A O no hydrogen 2.938 N/A SER 98.A OG LEU 94.A O no hydrogen 3.516 N/A SER 98.A OG HIS 95.A O no hydrogen 2.427 N/A TYR 99.A N TYR 96.A O no hydrogen 2.823 N/A GLY 100.A N GLN 97.A O no hydrogen 2.941 N/A ALA 101.A N TYR 96.A O no hydrogen 3.361 N/A VAL 106.A N ASN 102.A O no hydrogen 2.882 N/A GLN 107.A N PRO 103.A O no hydrogen 2.746 N/A ASP 108.A N VAL 104.A O no hydrogen 2.767 N/A LYS 109.A N LEU 105.A O no hydrogen 3.051 N/A LEU 110.A N VAL 106.A O no hydrogen 3.153 N/A LYS 111.A N GLN 107.A O no hydrogen 3.066 N/A ASN 112.A N ASP 108.A O no hydrogen 3.265 N/A ALA 113.A N LEU 110.A O no hydrogen 3.093 N/A LYS 114.A N ASP 204.A OD2 no hydrogen 2.560 N/A LYS 114.A NZ GLU 202.A O no hydrogen 3.534 N/A VAL 115.A N GLU 138.A O no hydrogen 2.736 N/A VAL 116.A N ILE 205.A O no hydrogen 3.071 N/A ILE 117.A N ILE 140.A O no hydrogen 2.902 N/A LEU 118.A N VAL 207.A O no hydrogen 2.795 N/A GLY 119.A N ILE 142.A O no hydrogen 2.813 N/A CYS 120.A N ASP 143.A OD2 no hydrogen 2.865 N/A CYS 120.A SG ILE 117.A O no hydrogen 4.015 N/A ASN 125.A N GLY 121.A O no hydrogen 3.203 N/A ASN 125.A ND2 GLN 155.A OE1 no hydrogen 3.262 N/A HIS 126.A N GLY 122.A O no hydrogen 3.461 N/A VAL 127.A N ILE 123.A O no hydrogen 2.928 N/A SER 128.A N GLY 124.A O no hydrogen 3.227 N/A SER 128.A OG GLY 124.A O no hydrogen 2.676 N/A SER 128.A OG ASN 125.A O no hydrogen 2.775 N/A VAL 129.A N ASN 125.A O no hydrogen 3.366 N/A ILE 130.A N HIS 126.A O no hydrogen 3.093 N/A LEU 131.A N VAL 127.A O no hydrogen 2.897 N/A ALA 132.A N SER 128.A O no hydrogen 2.847 N/A THR 133.A N VAL 129.A O no hydrogen 3.110 N/A THR 133.A OG1 VAL 129.A O no hydrogen 2.622 N/A THR 133.A OG1 ILE 130.A O no hydrogen 3.097 N/A SER 134.A N ILE 130.A O no hydrogen 2.921 N/A SER 134.A N LEU 131.A O no hydrogen 3.129 N/A SER 134.A OG ILE 130.A O no hydrogen 3.206 N/A GLY 135.A N ALA 132.A O no hydrogen 3.027 N/A ILE 136.A N LEU 131.A O no hydrogen 3.133 N/A GLY 137.A N LEU 110.A O no hydrogen 3.103 N/A GLU 138.A N ALA 113.A O no hydrogen 3.116 N/A ILE 139.A N SER 183.A O no hydrogen 3.090 N/A ILE 140.A N VAL 115.A O no hydrogen 2.907 N/A LEU 141.A N SER 185.A O no hydrogen 2.686 N/A ILE 142.A N ILE 117.A O no hydrogen 3.059 N/A ASP 145.A N ASP 143.A OD1 no hydrogen 2.731 N/A ILE 147.A N LYS 165.A O no hydrogen 3.138 N/A LEU 152.A N ASN 149.A O no hydrogen 2.965 N/A GLN 155.A N ASN 151.A O no hydrogen 3.421 N/A VAL 156.A N ARG 154.A O no hydrogen 2.985 N/A LEU 157.A N ASN 125.A OD1 no hydrogen 3.217 N/A PHE 158.A N GLN 155.A O no hydrogen 3.022 N/A SER 159.A N ASP 162.A OD2 no hydrogen 2.816 N/A ASP 162.A N SER 159.A O no hydrogen 3.073 N/A VAL 163.A N GLU 160.A O no hydrogen 2.690 N/A GLY 164.A N ILE 147.A O no hydrogen 2.994 N/A LYS 165.A N ASP 162.A O no hydrogen 2.922 N/A LYS 165.A NZ ASP 162.A OD1 no hydrogen 3.327 N/A LYS 167.A N ASP 145.A O no hydrogen 3.443 N/A THR 168.A OG1 GLU 186.A OE1 no hydrogen 2.821 N/A VAL 170.A N ASN 166.A O no hydrogen 3.022 N/A ILE 171.A N LYS 167.A O no hydrogen 2.880 N/A LYS 172.A N THR 168.A O no hydrogen 3.384 N/A ARG 173.A N GLU 169.A O no hydrogen 3.088 N/A GLU 174.A N VAL 170.A O no hydrogen 2.851 N/A LEU 175.A N ILE 171.A O no hydrogen 2.613 N/A LEU 176.A N LYS 172.A O no hydrogen 2.849 N/A LYS 177.A N ARG 173.A O no hydrogen 3.162 N/A LYS 177.A NZ GLU 174.A OE1 no hydrogen 3.436 N/A LYS 177.A NZ GLU 174.A OE2 no hydrogen 3.253 N/A ARG 178.A N LEU 175.A O no hydrogen 3.094 N/A ASN 179.A N LEU 175.A O no hydrogen 2.924 N/A ASN 179.A ND2 TYR 89.A OH no hydrogen 3.505 N/A GLU 181.A N ASN 179.A OD1 no hydrogen 3.147 N/A SER 183.A N GLY 137.A O no hydrogen 2.944 N/A SER 183.A OG GLY 137.A O no hydrogen 3.443 N/A SER 185.A N ILE 139.A O no hydrogen 2.954 N/A ILE 187.A N LEU 141.A O no hydrogen 2.848 N/A ASN 192.A N ASP 196.A OD2 no hydrogen 2.762 N/A ASP 193.A N ASP 196.A OD2 no hydrogen 3.048 N/A LEU 197.A N TYR 194.A O no hydrogen 3.346 N/A HIS 198.A N THR 195.A O no hydrogen 3.297 N/A LYS 199.A N ASP 196.A O no hydrogen 2.817 N/A VAL 200.A N LEU 197.A O no hydrogen 3.044 N/A ASP 204.A N LYS 114.A O no hydrogen 3.048 N/A TRP 206.A N PRO 230.A O no hydrogen 3.016 N/A TRP 206.A NE1 PRO 201.A O no hydrogen 3.112 N/A VAL 207.A N VAL 116.A O no hydrogen 2.690 N/A VAL 208.A N ILE 232.A O no hydrogen 2.916 N/A SER 209.A N LEU 118.A O no hydrogen 3.248 N/A LEU 216.A N PRO 213.A O no hydrogen 3.400 N/A TRP 219.A N LEU 216.A O no hydrogen 2.973 N/A VAL 220.A N LEU 216.A O no hydrogen 3.173 N/A ASN 221.A N ILE 217.A O no hydrogen 3.032 N/A LYS 222.A N ASN 218.A O no hydrogen 3.245 N/A TYR 223.A N TRP 219.A O no hydrogen 2.913 N/A CYS 224.A N VAL 220.A O no hydrogen 2.908 N/A CYS 224.A SG VAL 220.A O no hydrogen 3.141 N/A VAL 225.A N ASN 221.A O no hydrogen 2.812 N/A VAL 225.A N LYS 222.A O no hydrogen 2.996 N/A ARG 226.A N LYS 222.A O no hydrogen 3.428 N/A ARG 226.A N TYR 223.A O no hydrogen 3.230 N/A ALA 227.A N TYR 223.A O no hydrogen 2.912 N/A GLN 229.A N CYS 224.A O no hydrogen 3.164 N/A GLN 229.A NE2 ALA 203.A O no hydrogen 3.301 N/A TYR 231.A N TYR 247.A O no hydrogen 3.234 N/A ILE 232.A N TRP 206.A O no hydrogen 2.753 N/A ASN 233.A N PRO 245.A O no hydrogen 3.264 N/A ASN 233.A ND2 VAL 208.A O no hydrogen 2.801 N/A ALA 234.A N VAL 208.A O no hydrogen 3.197 N/A GLY 235.A N VAL 242.A O no hydrogen 2.831 N/A VAL 237.A N ILE 240.A O no hydrogen 3.052 N/A ILE 240.A N VAL 237.A O no hydrogen 3.096 N/A ALA 241.A N ILE 314.A O no hydrogen 2.848 N/A VAL 242.A N GLY 235.A O no hydrogen 2.955 N/A PHE 243.A N ILE 312.A O no hydrogen 2.978 N/A GLY 244.A N ASN 233.A O no hydrogen 2.701 N/A LEU 246.A N SER 307.A O no hydrogen 2.693 N/A TYR 247.A N TYR 231.A O no hydrogen 2.735 N/A LYS 251.A N VAL 248.A O no hydrogen 3.112 N/A THR 252.A OG1 ASN 309.A OD1 no hydrogen 2.993 N/A GLY 253.A N ASN 309.A OD1 no hydrogen 2.699 N/A CYS 254.A SG ASN 221.A OD1 no hydrogen 3.655 N/A GLN 258.A NE2 GLY 327.A O no hydrogen 2.862 N/A LYS 259.A N GLU 256.A O no hydrogen 3.080 N/A HIS 266.A N ASN 263.A O no hydrogen 3.066 N/A LYS 267.A N ASN 263.A O no hydrogen 3.338 N/A ILE 268.A N ILE 264.A O no hydrogen 2.984 N/A LYS 269.A N ASP 265.A O no hydrogen 3.195 N/A LEU 270.A N HIS 266.A O no hydrogen 2.907 N/A ILE 271.A N LYS 267.A O no hydrogen 3.115 N/A ASN 272.A N ILE 268.A O no hydrogen 3.157 N/A SER 273.A N LYS 269.A O no hydrogen 3.057 N/A SER 273.A OG LYS 269.A O no hydrogen 3.282 N/A SER 273.A OG LEU 270.A O no hydrogen 2.672 N/A ARG 274.A N LEU 270.A O no hydrogen 3.206 N/A ARG 274.A N ILE 271.A O no hydrogen 3.195 N/A PHE 275.A N ASN 272.A O no hydrogen 2.600 N/A ASN 284.A N PHE 280.A O no hydrogen 3.051 N/A ASN 285.A N ALA 281.A O no hydrogen 2.766 N/A ASN 285.A ND2 ASN 284.A OD1 no hydrogen 2.947 N/A VAL 286.A N PRO 282.A O no hydrogen 3.089 N/A ALA 287.A N VAL 283.A O no hydrogen 3.118 N/A ALA 288.A N ASN 284.A O no hydrogen 2.932 N/A ALA 289.A N ASN 285.A O no hydrogen 2.805 N/A LEU 290.A N VAL 286.A O no hydrogen 3.108 N/A CYS 291.A N ALA 287.A O no hydrogen 3.128 N/A ALA 292.A N ALA 288.A O no hydrogen 2.917 N/A ALA 293.A N ALA 289.A O no hydrogen 2.913 N/A ASP 294.A N LEU 290.A O no hydrogen 3.196 N/A VAL 295.A N CYS 291.A O no hydrogen 3.041 N/A ILE 296.A N ALA 292.A O no hydrogen 2.995 N/A LYS 297.A N ALA 293.A O no hydrogen 3.080 N/A PHE 298.A N ASP 294.A O no hydrogen 2.841 N/A ILE 299.A N VAL 295.A O no hydrogen 3.153 N/A GLY 300.A N ILE 296.A O no hydrogen 2.655 N/A LYS 301.A N LYS 297.A O no hydrogen 2.612 N/A TYR 302.A OH HIS 95.A NE2 no hydrogen 2.968 N/A LEU 306.A N ASP 294.A OD1 no hydrogen 2.847 N/A SER 307.A N ASP 294.A OD2 no hydrogen 2.758 N/A SER 307.A OG ASP 294.A OD2 no hydrogen 2.656 N/A ARG 311.A N GLN 324.A O no hydrogen 3.160 N/A ARG 311.A NH1 GLN 324.A OE1 no hydrogen 2.840 N/A ILE 312.A N PHE 243.A O no hydrogen 2.937 N/A GLY 313.A N HIS 322.A O no hydrogen 2.815 N/A ILE 314.A N ALA 241.A O no hydrogen 2.826 N/A TRP 315.A N LYS 320.A O no hydrogen 2.844 N/A SER 316.A OG ASP 239.A O no hydrogen 2.779 N/A HIS 322.A N GLY 313.A O no hydrogen 2.825 N/A GLN 324.A N ARG 311.A O no hydrogen 2.930 N/A MET 326.A N ASN 309.A O no hydrogen 3.085 N/A ASN 337.A N PRO 330.A O no hydrogen 3.061 N/A