Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5d8w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N LEU 283.A O no hydrogen 2.735 N/A GLY 5.A N TYR 285.A O no hydrogen 3.046 N/A ASN 7.A N GLY 287.A O no hydrogen 2.937 N/A ASN 7.A ND2 THR 254.A O no hydrogen 3.446 N/A ASN 7.A ND2 GLY 287.A O no hydrogen 2.975 N/A ILE 8.A N ARG 55.A O no hydrogen 2.857 N/A ALA 9.A N ALA 290.A O no hydrogen 3.241 N/A GLY 10.A N ASP 12.A OD1 no hydrogen 2.953 N/A PHE 13.A N GLY 10.A O no hydrogen 3.142 N/A CYS 15.A N ASP 12.A O no hydrogen 3.001 N/A CYS 15.A SG ASP 12.A O no hydrogen 3.146 N/A CYS 15.A SG HIS 99.A O no hydrogen 3.935 N/A GLY 16.A N THR 20.A O no hydrogen 2.895 N/A GLY 19.A N GLY 16.A O no hydrogen 3.317 N/A THR 20.A N ASP 18.A OD1 no hydrogen 3.285 N/A THR 20.A OG1 ASP 18.A OD1 no hydrogen 3.443 N/A THR 20.A OG1 ASP 18.A OD2 no hydrogen 2.864 N/A CYS 21.A SG GLN 61.A OE1 no hydrogen 3.803 N/A TRP 27.A N GLY 10.A O no hydrogen 2.957 N/A TRP 27.A NE1 TYR 34.A O no hydrogen 2.752 N/A THR 31.A OG1 ASP 37.A OD1 no hydrogen 3.294 N/A GLY 35.A N LEU 30.A O no hydrogen 3.122 N/A GLY 38.A N PRO 29.A O no hydrogen 3.041 N/A GLY 38.A N ALA 36.A O no hydrogen 2.970 N/A GLN 41.A N ASP 37.A O no hydrogen 2.669 N/A GLN 41.A NE2 GLY 291.A O no hydrogen 2.796 N/A MET 42.A N GLY 38.A O no hydrogen 2.910 N/A LYS 43.A N ALA 39.A O no hydrogen 2.948 N/A HIS 44.A N GLY 40.A O no hydrogen 3.113 N/A HIS 44.A ND1 ASP 48.A OD2 no hydrogen 2.684 N/A HIS 44.A NE2 ASP 312.A OD2 no hydrogen 3.230 N/A PHE 45.A N GLN 41.A O no hydrogen 3.014 N/A VAL 46.A N MET 42.A O no hydrogen 3.025 N/A ASP 47.A N LYS 43.A O no hydrogen 2.845 N/A ASP 48.A N HIS 44.A O no hydrogen 2.856 N/A GLY 50.A N VAL 46.A O no hydrogen 3.213 N/A PHE 51.A N PHE 45.A O no hydrogen 3.019 N/A ASN 52.A N ALA 4.A O no hydrogen 2.681 N/A PHE 54.A N SER 93.A O no hydrogen 3.356 N/A ARG 55.A N VAL 6.A O no hydrogen 3.206 N/A ARG 55.A NH1 ASN 7.A OD1 no hydrogen 2.877 N/A ARG 55.A NH1 GLU 255.A OE2 no hydrogen 2.863 N/A ARG 55.A NH2 ASN 142.A OD1 no hydrogen 2.663 N/A LEU 56.A N ILE 95.A O no hydrogen 2.954 N/A VAL 58.A N ASP 97.A O no hydrogen 3.095 N/A TRP 60.A NE1 GLY 69.A O no hydrogen 2.794 N/A GLN 61.A N GLN 61.A OE1 no hydrogen 2.504 N/A GLN 61.A NE2 GLY 19.A O no hydrogen 2.914 N/A GLN 61.A NE2 ASN 105.A OD1 no hydrogen 3.344 N/A ILE 63.A N GLY 59.A O no hydrogen 3.047 N/A THR 64.A N TRP 60.A O no hydrogen 3.014 N/A THR 64.A OG1 TRP 60.A O no hydrogen 3.111 N/A THR 64.A OG1 VAL 67.A O no hydrogen 2.836 N/A ASP 65.A N PHE 62.A O no hydrogen 3.515 N/A GLY 66.A N GLN 61.A O no hydrogen 2.972 N/A VAL 67.A N THR 64.A OG1 no hydrogen 2.933 N/A ASP 73.A N ILE 63.A O no hydrogen 2.943 N/A GLU 74.A N GLU 74.A OE2 no hydrogen 2.815 N/A ASN 76.A N ASP 73.A OD2 no hydrogen 3.088 N/A ASN 76.A ND2 PHE 62.A O no hydrogen 2.856 N/A TRP 77.A N ASP 73.A O no hydrogen 3.030 N/A ALA 78.A N GLU 74.A O no hydrogen 2.863 N/A TYR 80.A N ASN 76.A O no hydrogen 3.190 N/A TYR 80.A OH LEU 56.A O no hydrogen 2.667 N/A ASP 81.A N TRP 77.A O no hydrogen 2.779 N/A ALA 82.A N ALA 78.A O no hydrogen 3.243 N/A LEU 83.A N TYR 80.A O no hydrogen 3.230 N/A VAL 84.A N TYR 80.A O no hydrogen 3.228 N/A GLN 85.A N ASP 81.A O no hydrogen 2.611 N/A GLN 85.A NE2 ASP 81.A OD1 no hydrogen 2.704 N/A GLN 85.A NE2 ASP 81.A OD2 no hydrogen 3.335 N/A ALA 86.A N ALA 82.A O no hydrogen 3.027 N/A CYS 87.A N LEU 83.A O no hydrogen 2.858 N/A CYS 87.A SG ALA 92.A O no hydrogen 3.534 N/A CYS 87.A SG SER 93.A O no hydrogen 3.847 N/A LEU 88.A N VAL 84.A O no hydrogen 2.921 N/A ASP 89.A N GLN 85.A O no hydrogen 2.691 N/A ALA 90.A N ALA 86.A O no hydrogen 3.011 N/A GLY 91.A N LEU 88.A O no hydrogen 2.932 N/A SER 93.A N ASN 52.A O no hydrogen 2.997 N/A SER 93.A OG ASN 52.A O no hydrogen 3.482 N/A CYS 94.A N LYS 135.A O no hydrogen 2.733 N/A CYS 94.A SG PHE 54.A O no hydrogen 3.553 N/A CYS 94.A SG SER 93.A O no hydrogen 3.234 N/A ILE 95.A N PHE 54.A O no hydrogen 2.935 N/A VAL 96.A N ILE 137.A O no hydrogen 2.986 N/A HIS 99.A N VAL 58.A O no hydrogen 3.027 N/A HIS 99.A ND1 ASP 97.A OD2 no hydrogen 2.861 N/A ARG 103.A N ASN 100.A O no hydrogen 3.021 N/A ARG 103.A NH1 TYR 101.A O no hydrogen 3.216 N/A ARG 103.A NH1 HIS 145.A O no hydrogen 2.689 N/A ARG 103.A NH2 HIS 145.A O no hydrogen 3.271 N/A ARG 103.A NH2 ASP 146.A O no hydrogen 3.226 N/A PHE 104.A N GLU 107.A O no hydrogen 3.087 N/A ASN 105.A N GLY 19.A O no hydrogen 2.941 N/A GLY 106.A N ASP 18.A O no hydrogen 2.656 N/A GLU 107.A N PHE 104.A O no hydrogen 3.169 N/A ILE 109.A N ALA 102.A O no hydrogen 2.796 N/A GLY 110.A N PRO 114.A O no hydrogen 2.809 N/A GLN 111.A N ILE 108.A O no hydrogen 3.075 N/A GLN 111.A NE2 ASP 149.A O no hydrogen 3.015 N/A GLY 113.A N ILE 108.A O no hydrogen 2.562 N/A THR 115.A N ASP 118.A OD2 no hydrogen 3.182 N/A ASP 118.A N THR 115.A OG1 no hydrogen 2.900 N/A PHE 119.A N THR 115.A O no hydrogen 3.285 N/A ALA 120.A N ASN 116.A O no hydrogen 2.987 N/A ALA 121.A N GLN 117.A O no hydrogen 2.915 N/A LEU 122.A N ASP 118.A O no hydrogen 3.337 N/A TRP 123.A N PHE 119.A O no hydrogen 3.142 N/A SER 124.A N ALA 120.A O no hydrogen 2.878 N/A SER 125.A N ALA 121.A O no hydrogen 3.218 N/A SER 125.A OG GLY 70.A O no hydrogen 2.520 N/A SER 125.A OG ALA 121.A O no hydrogen 3.067 N/A ILE 126.A N LEU 122.A O no hydrogen 2.945 N/A ALA 127.A N TRP 123.A O no hydrogen 2.854 N/A ALA 128.A N SER 124.A O no hydrogen 2.739 N/A LYS 129.A N SER 125.A O no hydrogen 3.275 N/A TYR 130.A OH ASP 81.A OD1 no hydrogen 2.388 N/A ASP 134.A N ASP 134.A OD1 no hydrogen 2.479 N/A LYS 135.A N ASN 133.A OD1 no hydrogen 3.212 N/A ILE 137.A N CYS 94.A O no hydrogen 3.016 N/A PHE 138.A N ILE 173.A O no hydrogen 2.922 N/A GLY 139.A N VAL 96.A O no hydrogen 2.963 N/A ASN 142.A N VAL 98.A O no hydrogen 3.015 N/A HIS 145.A ND1 ASP 146.A OD2 no hydrogen 3.264 N/A HIS 145.A NE2 SER 17.A O no hydrogen 2.972 N/A ASP 149.A N GLN 111.A OE1 no hydrogen 3.289 N/A ASN 151.A N ASP 149.A OD1 no hydrogen 3.061 N/A LEU 152.A N ASP 149.A OD1 no hydrogen 3.421 N/A TRP 153.A N ASP 149.A O no hydrogen 3.201 N/A TRP 153.A NE1 PRO 177.A O no hydrogen 2.746 N/A ALA 154.A N ILE 150.A O no hydrogen 2.876 N/A ASP 155.A N ASN 151.A O no hydrogen 2.968 N/A SER 156.A N LEU 152.A O no hydrogen 3.084 N/A SER 156.A OG LEU 152.A O no hydrogen 3.293 N/A VAL 157.A N TRP 153.A O no hydrogen 2.878 N/A GLN 158.A N ALA 154.A O no hydrogen 2.755 N/A GLN 158.A NE2 GLN 158.A O no hydrogen 3.145 N/A GLN 158.A NE2 THR 162.A OG1 no hydrogen 3.145 N/A GLN 158.A NE2 THR 200.A O no hydrogen 2.939 N/A ALA 159.A N ASP 155.A O no hydrogen 2.998 N/A ALA 160.A N SER 156.A O no hydrogen 3.161 N/A VAL 161.A N VAL 157.A O no hydrogen 3.047 N/A THR 162.A N GLN 158.A O no hydrogen 2.955 N/A THR 162.A OG1 GLN 158.A O no hydrogen 3.310 N/A ALA 163.A N ALA 159.A O no hydrogen 2.800 N/A ILE 164.A N ALA 160.A O no hydrogen 2.838 N/A ARG 165.A N VAL 161.A O no hydrogen 3.033 N/A ARG 165.A NH1 ALA 169.A O no hydrogen 2.599 N/A ARG 165.A NH1 GLN 172.A O no hydrogen 2.934 N/A ARG 165.A NH2 GLN 172.A O no hydrogen 2.847 N/A GLN 166.A N THR 162.A O no hydrogen 2.980 N/A ALA 167.A N ALA 163.A O no hydrogen 3.069 N/A ALA 167.A N ILE 164.A O no hydrogen 3.196 N/A GLY 168.A N ARG 165.A O no hydrogen 2.877 N/A ALA 169.A N ILE 164.A O no hydrogen 3.326 N/A SER 171.A N GLN 172.A OE1 no hydrogen 2.922 N/A SER 171.A OG GLN 172.A OE1 no hydrogen 2.733 N/A GLN 172.A NE2 TYR 130.A O no hydrogen 3.295 N/A GLN 172.A NE2 ALA 131.A O no hydrogen 2.645 N/A GLN 172.A NE2 ASN 133.A O no hydrogen 3.113 N/A ILE 174.A N ASN 208.A O no hydrogen 2.920 N/A LEU 175.A N PHE 138.A O no hydrogen 2.915 N/A LEU 176.A N ILE 210.A O no hydrogen 2.839 N/A ASN 179.A N SER 192.A OG no hydrogen 3.146 N/A ASN 179.A ND2 VAL 147.A O no hydrogen 3.057 N/A ASN 180.A N ASN 179.A OD1 no hydrogen 2.752 N/A TRP 181.A N PRO 144.A O no hydrogen 2.668 N/A SER 183.A N ASN 180.A O no hydrogen 2.864 N/A ALA 184.A N HIS 214.A O no hydrogen 2.999 N/A THR 186.A OG1 SER 183.A O no hydrogen 3.481 N/A PHE 187.A N ALA 184.A O no hydrogen 3.475 N/A SER 189.A OG THR 186.A O no hydrogen 3.543 N/A ASN 190.A N THR 186.A O no hydrogen 2.853 N/A GLY 191.A N VAL 188.A O no hydrogen 3.318 N/A SER 192.A N ASN 190.A OD1 no hydrogen 2.759 N/A SER 192.A OG ASN 190.A OD1 no hydrogen 2.333 N/A ALA 193.A N PHE 187.A O no hydrogen 3.106 N/A ALA 195.A N SER 192.A O no hydrogen 3.121 N/A LEU 196.A N SER 192.A O no hydrogen 2.868 N/A LYS 197.A N ALA 193.A O no hydrogen 2.708 N/A LYS 197.A NZ ASN 247.A OD1 no hydrogen 2.439 N/A LYS 198.A N ALA 195.A O no hydrogen 3.167 N/A VAL 199.A N LEU 196.A O no hydrogen 3.078 N/A THR 200.A N GLN 158.A OE1 no hydrogen 3.079 N/A THR 200.A OG1 ASN 201.A O no hydrogen 2.862 N/A ASN 201.A N SER 205.A O no hydrogen 2.768 N/A GLY 204.A N ASN 201.A O no hydrogen 2.975 N/A SER 205.A N ASP 203.A OD1 no hydrogen 2.990 N/A SER 205.A OG ASN 201.A OD1 no hydrogen 3.445 N/A SER 205.A OG ASP 203.A OD1 no hydrogen 2.422 N/A LEU 209.A N VAL 206.A O no hydrogen 3.141 N/A ILE 210.A N ILE 174.A O no hydrogen 2.962 N/A PHE 211.A N GLN 250.A O no hydrogen 3.269 N/A ASP 212.A N LEU 176.A O no hydrogen 2.974 N/A VAL 213.A N PHE 252.A O no hydrogen 3.185 N/A HIS 214.A N THR 182.A O no hydrogen 2.955 N/A HIS 214.A ND1 GLU 143.A OE2 no hydrogen 2.706 N/A LYS 215.A N GLU 255.A O no hydrogen 3.164 N/A LYS 215.A NZ ASN 221.A OD1 no hydrogen 3.141 N/A LYS 215.A NZ ASN 232.A OD1 no hydrogen 3.220 N/A TYR 216.A N ASN 221.A OD1 no hydrogen 2.707 N/A TYR 216.A OH GLU 255.A OE1 no hydrogen 2.426 N/A ASP 218.A N ASP 218.A OD1 no hydrogen 2.604 N/A ASN 221.A N ASP 218.A O no hydrogen 3.184 N/A SER 222.A N ASP 220.A OD1 no hydrogen 3.199 N/A SER 222.A OG ASP 218.A OD2 no hydrogen 2.729 N/A SER 222.A OG ASP 220.A OD1 no hydrogen 2.939 N/A SER 222.A OG ASP 220.A OD2 no hydrogen 3.222 N/A SER 222.A OG THR 224.A OG1 no hydrogen 2.703 N/A GLY 223.A N ASP 218.A OD1 no hydrogen 2.916 N/A THR 224.A N ASP 218.A OD2 no hydrogen 3.273 N/A THR 224.A N SER 222.A OG no hydrogen 3.113 N/A THR 224.A OG1 SER 222.A OG no hydrogen 2.703 N/A CYS 228.A N SER 263.A OG no hydrogen 3.252 N/A THR 229.A N LEU 217.A O no hydrogen 2.740 N/A THR 229.A OG1 LEU 217.A O no hydrogen 3.331 N/A ASN 231.A ND2 GLN 270.A OE1 no hydrogen 2.637 N/A ASN 232.A N THR 230.A OG1 no hydrogen 2.960 N/A ASN 232.A ND2 TYR 216.A O no hydrogen 3.656 N/A ILE 233.A N ASN 231.A OD1 no hydrogen 3.300 N/A TRP 237.A N ASN 232.A O no hydrogen 2.831 N/A ALA 238.A N ILE 233.A O no hydrogen 2.710 N/A LEU 240.A N ALA 236.A O no hydrogen 3.085 N/A ALA 241.A N TRP 237.A O no hydrogen 3.068 N/A GLU 242.A N ALA 238.A O no hydrogen 3.049 N/A TRP 243.A N PRO 239.A O no hydrogen 3.135 N/A LEU 244.A N LEU 240.A O no hydrogen 2.753 N/A ARG 245.A N ALA 241.A O no hydrogen 2.742 N/A ARG 245.A NE ASP 280.A OD2 no hydrogen 2.964 N/A ARG 245.A NH2 ASN 278.A OD1 no hydrogen 3.386 N/A ARG 245.A NH2 ASP 280.A OD1 no hydrogen 2.733 N/A ARG 245.A NH2 ASP 280.A OD2 no hydrogen 3.179 N/A CYS 246.A N GLU 242.A O no hydrogen 3.212 N/A CYS 246.A SG GLU 242.A O no hydrogen 3.806 N/A CYS 246.A SG TRP 243.A O no hydrogen 3.694 N/A ASN 247.A N TRP 243.A O no hydrogen 3.068 N/A ASN 247.A ND2 TRP 243.A O no hydrogen 2.908 N/A GLY 248.A N ARG 245.A O no hydrogen 3.304 N/A ARG 249.A N LEU 244.A O no hydrogen 2.976 N/A ARG 249.A NH2 LEU 209.A O no hydrogen 2.762 N/A GLN 250.A NE2 ASP 280.A O no hydrogen 2.980 N/A ALA 251.A N VAL 281.A O no hydrogen 2.728 N/A ASN 253.A N GLY 284.A O no hydrogen 2.960 N/A THR 254.A N VAL 213.A O no hydrogen 2.901 N/A THR 254.A OG1 ASP 212.A OD1 no hydrogen 2.423 N/A THR 254.A OG1 HIS 214.A NE2 no hydrogen 2.655 N/A THR 256.A N VAL 286.A O no hydrogen 3.277 N/A THR 256.A OG1 LYS 215.A O no hydrogen 2.739 N/A ASN 260.A ND2 GLY 300.A O no hydrogen 2.951 N/A SER 263.A OG GLU 227.A OE1 no hydrogen 2.958 N/A SER 263.A OG CYS 228.A O no hydrogen 3.564 N/A CYS 264.A SG GLU 226.A O no hydrogen 3.399 N/A GLU 265.A N VAL 261.A O no hydrogen 2.931 N/A THR 266.A N ALA 262.A O no hydrogen 3.167 N/A PHE 267.A N SER 263.A O no hydrogen 3.124 N/A MET 268.A N CYS 264.A O no hydrogen 2.847 N/A CYS 269.A N THR 266.A O no hydrogen 3.046 N/A CYS 269.A SG GLU 265.A O no hydrogen 3.616 N/A GLN 270.A N THR 266.A O no hydrogen 3.165 N/A GLN 271.A N PHE 267.A O no hydrogen 3.048 N/A VAL 272.A N MET 268.A O no hydrogen 2.978 N/A ALA 273.A N CYS 269.A O no hydrogen 2.821 N/A TYR 274.A N GLN 270.A O no hydrogen 3.106 N/A GLN 275.A N GLN 271.A O no hydrogen 2.919 N/A ASN 276.A N VAL 272.A O no hydrogen 2.947 N/A ASN 276.A ND2 VAL 272.A O no hydrogen 2.848 N/A ALA 277.A N ALA 273.A O no hydrogen 3.017 N/A ASN 278.A N TYR 274.A O no hydrogen 2.975 N/A ASN 278.A N GLN 275.A O no hydrogen 2.949 N/A ASN 278.A ND2 TYR 274.A O no hydrogen 2.930 N/A SER 279.A N ASN 276.A O no hydrogen 3.000 N/A VAL 281.A N ASN 278.A O no hydrogen 3.108 N/A PHE 282.A N ASN 278.A O no hydrogen 3.265 N/A LEU 283.A N ALA 251.A O no hydrogen 2.979 N/A TYR 285.A OH LEU 320.A O no hydrogen 2.562 N/A VAL 286.A N ASN 253.A O no hydrogen 3.069 N/A GLY 287.A N GLY 5.A O no hydrogen 2.781 N/A TRP 288.A N THR 256.A O no hydrogen 2.555 N/A TRP 288.A NE1 TYR 297.A OH no hydrogen 2.865 N/A ALA 289.A N GLY 287.A O no hydrogen 2.968 N/A ALA 290.A N ASN 7.A O no hydrogen 2.871 N/A GLY 291.A N GLN 41.A OE1 no hydrogen 2.856 N/A ASN 292.A N ALA 9.A O no hydrogen 3.101 N/A ASN 292.A ND2 TRP 27.A O no hydrogen 3.593 N/A ASN 292.A ND2 PRO 28.A O no hydrogen 3.263 N/A TYR 297.A N TYR 294.A O no hydrogen 3.037 N/A GLY 300.A N TYR 297.A O no hydrogen 2.928 N/A THR 304.A N THR 311.A O no hydrogen 2.900 N/A THR 306.A N VAL 309.A O no hydrogen 2.984 N/A GLY 308.A N ASP 305.A OD1 no hydrogen 2.813 N/A THR 311.A N THR 304.A O no hydrogen 2.952 N/A THR 313.A OG1 ASN 260.A OD1 no hydrogen 3.272 N/A LEU 315.A N ASN 260.A OD1 no hydrogen 2.892 N/A VAL 316.A N THR 313.A O no hydrogen 3.090 N/A SER 317.A N THR 313.A O no hydrogen 3.251 N/A SER 317.A OG THR 313.A O no hydrogen 3.081 N/A SER 317.A OG ALA 314.A O no hydrogen 2.862 N/A ALA 318.A N ALA 314.A O no hydrogen 2.921 N/A CYS 319.A N LEU 315.A O no hydrogen 2.908 N/A CYS 319.A SG GLU 265.A O no hydrogen 2.691 N/A LEU 320.A N LEU 315.A O no hydrogen 3.071 N/A ALA 321.A N VAL 316.A O no hydrogen 2.824 N/A ASN 323.A N ASP 49.A O no hydrogen 3.410 N/A ASN 323.A ND2 ASP 48.A O no hydrogen 2.986 N/A