Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p0g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A NE2 GLU 8.A OE2 no hydrogen 3.503 N/A VAL 11.A N ASP 7.A O no hydrogen 3.177 N/A GLY 13.A N VAL 9.A O no hydrogen 2.752 N/A MET 14.A N TRP 10.A O no hydrogen 2.888 N/A GLY 15.A N VAL 11.A O no hydrogen 2.710 N/A ILE 16.A N VAL 12.A O no hydrogen 3.106 N/A MET 18.A N MET 14.A O no hydrogen 2.916 N/A SER 19.A N GLY 15.A O no hydrogen 3.355 N/A LEU 20.A N VAL 17.A O no hydrogen 3.250 N/A ILE 21.A N VAL 17.A O no hydrogen 3.269 N/A VAL 22.A N MET 18.A O no hydrogen 2.950 N/A LEU 23.A N LEU 20.A O no hydrogen 3.104 N/A ALA 24.A N LEU 20.A O no hydrogen 2.851 N/A ILE 25.A N ILE 21.A O no hydrogen 2.870 N/A VAL 26.A N VAL 22.A O no hydrogen 3.424 N/A PHE 27.A N LEU 23.A O no hydrogen 2.674 N/A GLY 28.A N ALA 24.A O no hydrogen 3.263 N/A ASN 29.A N VAL 26.A O no hydrogen 3.215 N/A ASN 29.A ND2 ILE 25.A O no hydrogen 2.761 N/A ASN 29.A ND2 SER 259.A O no hydrogen 3.190 N/A VAL 30.A N VAL 26.A O no hydrogen 2.842 N/A LEU 31.A N PHE 27.A O no hydrogen 3.085 N/A VAL 32.A N GLY 28.A O no hydrogen 3.251 N/A ILE 33.A N ASN 29.A O no hydrogen 2.971 N/A THR 34.A N VAL 30.A O no hydrogen 3.432 N/A THR 34.A OG1 VAL 30.A O no hydrogen 2.760 N/A ALA 35.A N LEU 31.A O no hydrogen 2.968 N/A ILE 36.A N VAL 32.A O no hydrogen 3.210 N/A ALA 37.A N ILE 33.A O no hydrogen 2.976 N/A LYS 38.A N THR 34.A O no hydrogen 2.725 N/A PHE 39.A N ALA 35.A O no hydrogen 2.921 N/A GLN 43.A N GLU 40.A O no hydrogen 2.874 N/A THR 46.A OG1 ASP 108.A OD2 no hydrogen 2.805 N/A THR 46.A OG1 TYR 119.A OH no hydrogen 3.079 N/A ASN 47.A N THR 44.A OG1 no hydrogen 3.336 N/A ASN 47.A ND2 LEU 42.A O no hydrogen 2.724 N/A TYR 48.A N THR 44.A O no hydrogen 3.019 N/A TYR 48.A N VAL 45.A O no hydrogen 2.853 N/A PHE 49.A N VAL 45.A O no hydrogen 3.363 N/A PHE 49.A N THR 46.A O no hydrogen 3.224 N/A ILE 50.A N THR 46.A O no hydrogen 3.061 N/A THR 51.A N ASN 47.A O no hydrogen 3.140 N/A THR 51.A OG1 ASN 47.A O no hydrogen 2.491 N/A SER 52.A N TYR 48.A O no hydrogen 3.352 N/A LEU 53.A N PHE 49.A O no hydrogen 3.389 N/A ALA 54.A N ILE 50.A O no hydrogen 2.859 N/A CYS 55.A N THR 51.A O no hydrogen 2.981 N/A CYS 55.A SG THR 51.A O no hydrogen 3.422 N/A ALA 56.A N SER 52.A O no hydrogen 3.243 N/A ASP 57.A N LEU 53.A O no hydrogen 2.900 N/A LEU 58.A N ALA 54.A O no hydrogen 3.290 N/A VAL 59.A N CYS 55.A O no hydrogen 3.152 N/A MET 60.A N ASP 57.A O no hydrogen 3.320 N/A ALA 63.A N VAL 59.A O no hydrogen 2.943 N/A VAL 64.A N MET 60.A O no hydrogen 3.189 N/A VAL 65.A N MET 60.A O no hydrogen 2.666 N/A GLY 68.A N VAL 64.A O no hydrogen 2.802 N/A ALA 69.A N VAL 65.A O no hydrogen 2.773 N/A ALA 70.A N PRO 66.A O no hydrogen 3.178 N/A HIS 71.A N PHE 67.A O no hydrogen 3.017 N/A ILE 72.A N GLY 68.A O no hydrogen 3.215 N/A LEU 73.A N ALA 69.A O no hydrogen 2.981 N/A MET 74.A N ALA 70.A O no hydrogen 2.645 N/A LYS 75.A N ILE 72.A O no hydrogen 3.011 N/A TRP 77.A N THR 167.A O no hydrogen 3.104 N/A TRP 77.A NE1 GLY 80.A O no hydrogen 2.691 N/A ASN 81.A N GLU 166.A OE2 no hydrogen 2.934 N/A ASN 81.A ND2 CYS 162.A O no hydrogen 3.664 N/A ASN 81.A ND2 GLU 165.A O no hydrogen 2.892 N/A CYS 84.A N GLY 80.A O no hydrogen 3.117 N/A GLU 85.A N ASN 81.A O no hydrogen 3.055 N/A PHE 86.A N PHE 82.A O no hydrogen 2.957 N/A TRP 87.A N TRP 83.A O no hydrogen 2.972 N/A TRP 87.A NE1 VAL 64.A O no hydrogen 3.034 N/A THR 88.A N CYS 84.A O no hydrogen 3.099 N/A THR 88.A OG1 CYS 84.A O no hydrogen 2.583 N/A SER 89.A OG GLU 85.A O no hydrogen 2.996 N/A SER 89.A OG SER 143.A O no hydrogen 3.505 N/A ILE 90.A N PHE 86.A O no hydrogen 3.088 N/A ASP 91.A N TRP 87.A O no hydrogen 3.122 N/A VAL 92.A N THR 88.A O no hydrogen 3.242 N/A LEU 93.A N SER 89.A O no hydrogen 3.079 N/A CYS 94.A N ILE 90.A O no hydrogen 2.867 N/A CYS 94.A SG ALA 56.A O no hydrogen 3.725 N/A VAL 95.A N ASP 91.A O no hydrogen 3.156 N/A THR 96.A N VAL 92.A O no hydrogen 2.905 N/A THR 96.A OG1 VAL 92.A O no hydrogen 2.934 N/A THR 96.A OG1 SER 185.A OG no hydrogen 2.596 N/A ALA 97.A N LEU 93.A O no hydrogen 3.311 N/A SER 98.A N CYS 94.A O no hydrogen 2.782 N/A SER 98.A OG ASP 57.A OD1 no hydrogen 3.195 N/A ILE 99.A N VAL 95.A O no hydrogen 3.004 N/A GLU 100.A N THR 96.A O no hydrogen 2.797 N/A THR 101.A N ALA 97.A O no hydrogen 3.169 N/A THR 101.A OG1 ALA 97.A O no hydrogen 2.456 N/A LEU 102.A N SER 98.A O no hydrogen 3.023 N/A CYS 103.A N ILE 99.A O no hydrogen 3.351 N/A CYS 103.A N GLU 100.A O no hydrogen 2.849 N/A VAL 104.A N GLU 100.A O no hydrogen 2.814 N/A ILE 105.A N THR 101.A O no hydrogen 3.015 N/A ALA 106.A N LEU 102.A O no hydrogen 3.378 N/A VAL 107.A N CYS 103.A O no hydrogen 3.164 N/A ASP 108.A N VAL 104.A O no hydrogen 3.267 N/A ARG 109.A N ILE 105.A O no hydrogen 2.784 N/A TYR 110.A N ALA 106.A O no hydrogen 3.091 N/A PHE 111.A N VAL 107.A O no hydrogen 2.863 N/A ALA 112.A N ASP 108.A O no hydrogen 3.106 N/A ILE 113.A N ARG 109.A O no hydrogen 2.944 N/A THR 114.A N TYR 110.A O no hydrogen 2.849 N/A THR 114.A OG1 TYR 110.A O no hydrogen 3.061 N/A SER 115.A N PHE 111.A O no hydrogen 2.783 N/A LYS 118.A NZ SER 115.A OG no hydrogen 3.064 N/A TYR 119.A N SER 115.A O no hydrogen 3.398 N/A TYR 119.A OH THR 46.A OG1 no hydrogen 3.079 N/A GLN 120.A N PRO 116.A O no hydrogen 3.309 N/A LEU 122.A N LYS 118.A O no hydrogen 2.707 N/A LEU 123.A N TYR 119.A O no hydrogen 2.813 N/A LYS 127.A N THR 124.A OG1 no hydrogen 3.226 N/A ALA 128.A N THR 124.A O no hydrogen 3.145 N/A ARG 129.A N LYS 125.A O no hydrogen 2.713 N/A ILE 131.A N LYS 127.A O no hydrogen 3.028 N/A ILE 132.A N ALA 128.A O no hydrogen 3.240 N/A LEU 133.A N ARG 129.A O no hydrogen 3.121 N/A MET 134.A N VAL 130.A O no hydrogen 3.383 N/A VAL 135.A N ILE 131.A O no hydrogen 3.094 N/A TRP 136.A N ILE 132.A O no hydrogen 3.111 N/A TRP 136.A NE1 SER 52.A OG no hydrogen 2.791 N/A ILE 137.A N LEU 133.A O no hydrogen 2.740 N/A VAL 138.A N MET 134.A O no hydrogen 2.943 N/A SER 139.A N VAL 135.A O no hydrogen 3.158 N/A SER 139.A OG VAL 135.A O no hydrogen 2.646 N/A GLY 140.A N TRP 136.A O no hydrogen 3.106 N/A LEU 141.A N ILE 137.A O no hydrogen 3.107 N/A THR 142.A N VAL 138.A O no hydrogen 2.781 N/A SER 143.A N GLY 140.A O no hydrogen 3.098 N/A SER 143.A OG SER 139.A O no hydrogen 2.794 N/A SER 143.A OG GLY 140.A O no hydrogen 3.148 N/A PHE 144.A N GLY 140.A O no hydrogen 2.754 N/A LEU 145.A N GLY 140.A O no hydrogen 3.487 N/A ILE 147.A N SER 143.A O no hydrogen 3.268 N/A GLN 148.A N PHE 144.A O no hydrogen 3.106 N/A HIS 150.A N ILE 147.A O no hydrogen 3.109 N/A ARG 153.A N HIS 150.A O no hydrogen 3.301 N/A ALA 154.A N TYR 163.A OH no hydrogen 2.843 N/A ALA 159.A N HIS 156.A O no hydrogen 3.166 N/A ILE 160.A N HIS 156.A O no hydrogen 3.303 N/A ASN 161.A N GLN 157.A O no hydrogen 3.030 N/A CYS 162.A N GLU 158.A O no hydrogen 3.317 N/A CYS 162.A SG ASP 170.A O no hydrogen 3.910 N/A TYR 163.A N ALA 159.A O no hydrogen 2.735 N/A TYR 163.A OH PHE 172.A O no hydrogen 2.517 N/A ALA 164.A N ILE 160.A O no hydrogen 3.319 N/A ALA 164.A N ASN 161.A O no hydrogen 3.150 N/A GLU 165.A N ASN 161.A O no hydrogen 2.946 N/A CYS 168.A N GLU 165.A O no hydrogen 3.114 N/A ASN 174.A N TYR 152.A O no hydrogen 3.150 N/A ASN 174.A ND2 TRP 151.A O no hydrogen 3.354 N/A ASN 174.A ND2 TYR 152.A O no hydrogen 2.932 N/A GLN 175.A NE2 VAL 237.A O no hydrogen 3.481 N/A TYR 177.A N ASN 174.A O no hydrogen 2.780 N/A ALA 178.A N ASN 174.A O no hydrogen 3.454 N/A ILE 179.A N GLN 175.A O no hydrogen 3.435 N/A ALA 180.A N ALA 176.A O no hydrogen 3.015 N/A SER 181.A N TYR 177.A O no hydrogen 2.824 N/A SER 182.A N ALA 178.A O no hydrogen 3.079 N/A SER 182.A OG ALA 178.A O no hydrogen 2.609 N/A ILE 183.A N ILE 179.A O no hydrogen 3.013 N/A VAL 184.A N ALA 180.A O no hydrogen 3.179 N/A SER 185.A N SER 181.A O no hydrogen 2.739 N/A SER 185.A OG THR 96.A OG1 no hydrogen 2.596 N/A PHE 186.A N SER 182.A O no hydrogen 2.918 N/A TYR 187.A N SER 182.A O no hydrogen 3.107 N/A TYR 187.A OH PHE 230.A O no hydrogen 2.715 N/A VAL 188.A N ILE 183.A O no hydrogen 2.881 N/A LEU 190.A N PHE 186.A O no hydrogen 2.899 N/A VAL 191.A N TYR 187.A O no hydrogen 2.807 N/A ILE 192.A N VAL 188.A O no hydrogen 3.031 N/A MET 193.A N PRO 189.A O no hydrogen 3.089 N/A VAL 194.A N LEU 190.A O no hydrogen 2.772 N/A PHE 195.A N VAL 191.A O no hydrogen 3.100 N/A VAL 196.A N ILE 192.A O no hydrogen 2.951 N/A TYR 197.A N MET 193.A O no hydrogen 3.287 N/A SER 198.A N VAL 194.A O no hydrogen 3.010 N/A SER 198.A OG VAL 194.A O no hydrogen 2.461 N/A ARG 199.A N PHE 195.A O no hydrogen 3.301 N/A ARG 199.A NE TYR 110.A OH no hydrogen 2.864 N/A ARG 199.A NH2 TYR 110.A OH no hydrogen 3.270 N/A PHE 201.A N TYR 197.A O no hydrogen 3.038 N/A GLN 202.A N SER 198.A O no hydrogen 2.904 N/A GLU 203.A N ARG 199.A O no hydrogen 3.244 N/A ALA 204.A N VAL 200.A O no hydrogen 3.346 N/A LYS 205.A N GLN 202.A O no hydrogen 3.017 N/A LYS 207.A NZ GLU 208.A OE2 no hydrogen 3.297 N/A LEU 212.A N GLU 208.A O no hydrogen 3.290 N/A LYS 213.A N HIS 209.A O no hydrogen 2.688 N/A THR 214.A OG1 LYS 210.A O no hydrogen 3.530 N/A ILE 217.A N LYS 213.A O no hydrogen 2.954 N/A ILE 218.A N THR 214.A O no hydrogen 2.927 N/A MET 219.A N LEU 215.A O no hydrogen 3.015 N/A GLY 220.A N GLY 216.A O no hydrogen 3.037 N/A THR 221.A N ILE 217.A O no hydrogen 2.955 N/A THR 221.A OG1 ILE 217.A O no hydrogen 2.937 N/A THR 223.A N MET 219.A O no hydrogen 3.244 N/A THR 223.A OG1 MET 219.A O no hydrogen 3.478 N/A LEU 224.A N GLY 220.A O no hydrogen 2.793 N/A CYS 225.A N PHE 222.A O no hydrogen 3.399 N/A CYS 225.A SG THR 221.A O no hydrogen 3.155 N/A TRP 226.A N PHE 222.A O no hydrogen 3.081 N/A LEU 227.A N THR 223.A O no hydrogen 2.949 N/A PHE 230.A N TRP 226.A O no hydrogen 3.144 N/A ILE 231.A N LEU 227.A O no hydrogen 2.878 N/A VAL 232.A N PRO 228.A O no hydrogen 3.189 N/A ASN 233.A N PHE 229.A O no hydrogen 3.275 N/A VAL 235.A N ILE 231.A O no hydrogen 3.029 N/A HIS 236.A N VAL 232.A O no hydrogen 2.815 N/A VAL 237.A N ILE 234.A O no hydrogen 2.960 N/A ILE 238.A N ILE 234.A O no hydrogen 3.136 N/A ASN 241.A N HIS 236.A NE2 no hydrogen 3.433 N/A LYS 245.A NZ PHE 171.A O no hydrogen 3.294 N/A GLU 246.A N GLU 246.A OE2 no hydrogen 2.798 N/A TYR 248.A N ARG 244.A O no hydrogen 2.853 N/A TYR 248.A OH ASN 233.A OD1 no hydrogen 3.065 N/A ILE 249.A N LYS 245.A O no hydrogen 2.906 N/A LEU 250.A N GLU 246.A O no hydrogen 3.242 N/A LEU 251.A N VAL 247.A O no hydrogen 2.835 N/A ASN 252.A N TYR 248.A O no hydrogen 2.960 N/A TRP 253.A N ILE 249.A O no hydrogen 2.986 N/A ILE 254.A N LEU 251.A O no hydrogen 3.324 N/A TYR 256.A N ASN 252.A O no hydrogen 2.884 N/A TYR 256.A OH ASP 91.A OD1 no hydrogen 3.013 N/A VAL 257.A N TRP 253.A O no hydrogen 3.234 N/A VAL 257.A N ILE 254.A O no hydrogen 3.130 N/A ASN 258.A N ILE 254.A O no hydrogen 3.255 N/A ASN 258.A N GLY 255.A O no hydrogen 2.966 N/A SER 259.A OG ASP 57.A OD1 no hydrogen 2.970 N/A GLY 260.A N VAL 257.A O no hydrogen 2.767 N/A PHE 261.A N ASN 258.A O no hydrogen 2.860 N/A ASN 262.A N ASN 258.A O no hydrogen 3.226 N/A ASN 262.A ND2 ASP 57.A OD1 no hydrogen 3.270 N/A ASN 262.A ND2 ASP 57.A OD2 no hydrogen 2.712 N/A ILE 265.A N PHE 261.A O no hydrogen 3.223 N/A ILE 265.A N ASN 262.A O no hydrogen 3.116 N/A TYR 266.A N ASN 262.A O no hydrogen 2.868 N/A CYS 267.A N PRO 263.A O no hydrogen 3.067 N/A PHE 272.A N SER 269.A O no hydrogen 3.041 N/A PHE 272.A N SER 269.A OG no hydrogen 3.319 N/A ARG 273.A N SER 269.A O no hydrogen 2.863 N/A ILE 274.A N PRO 270.A O no hydrogen 2.865 N/A ALA 275.A N ASP 271.A O no hydrogen 2.851 N/A PHE 276.A N PHE 272.A O no hydrogen 2.703 N/A GLN 277.A NE2 ARG 273.A O no hydrogen 2.798 N/A GLU 278.A N ILE 274.A O no hydrogen 3.358 N/A LEU 279.A N ALA 275.A O no hydrogen 3.195 N/A LEU 280.A N PHE 276.A O no hydrogen 2.853 N/A CYS 281.A N GLU 278.A O no hydrogen 3.348 N/A CYS 281.A SG LEU 279.A O no hydrogen 3.455 N/A LEU 282.A N GLN 277.A O no hydrogen 2.808 N/A ARG 283.A N GLN 277.A O no hydrogen 3.469 N/A