Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aum_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N SER 3.A OG no hydrogen 3.125 N/A GLN 5.A NE2 GLN 139.A O no hydrogen 3.321 N/A THR 6.A N SER 3.A O no hydrogen 3.052 N/A THR 6.A OG1 SER 3.A O no hydrogen 3.520 N/A GLN 8.A N SER 149.A OG no hydrogen 3.061 N/A ARG 13.A N ASP 74.A O no hydrogen 3.184 N/A ARG 13.A NE TYR 42.A O no hydrogen 2.952 N/A ARG 13.A NH1 TYR 42.A O no hydrogen 2.987 N/A VAL 14.A N ASP 41.A O no hydrogen 2.887 N/A ALA 15.A N ALA 77.A O no hydrogen 2.943 N/A LEU 16.A N HIS 43.A O no hydrogen 2.808 N/A SER 21.A N GLY 83.A O no hydrogen 3.061 N/A SER 21.A OG GLY 83.A O no hydrogen 3.262 N/A SER 21.A OG TYR 85.A O no hydrogen 3.490 N/A ALA 22.A N TYR 54.A O no hydrogen 2.944 N/A LEU 28.A N ALA 24.A O no hydrogen 3.025 N/A GLU 29.A N THR 25.A O no hydrogen 2.961 N/A ALA 30.A N GLU 26.A O no hydrogen 3.016 N/A THR 31.A N VAL 27.A O no hydrogen 2.927 N/A THR 31.A OG1 VAL 27.A O no hydrogen 2.796 N/A LEU 32.A N LEU 28.A O no hydrogen 3.051 N/A ARG 33.A N GLU 29.A O no hydrogen 3.065 N/A GLN 34.A N ALA 30.A O no hydrogen 3.122 N/A LEU 35.A N THR 31.A O no hydrogen 2.995 N/A GLU 36.A N LEU 32.A O no hydrogen 3.018 N/A VAL 37.A N ARG 33.A O no hydrogen 2.861 N/A HIS 38.A N GLN 34.A O no hydrogen 3.106 N/A HIS 38.A N LEU 35.A O no hydrogen 3.196 N/A HIS 38.A ND1 GLN 34.A O no hydrogen 3.128 N/A GLY 39.A N GLU 36.A O no hydrogen 2.999 N/A VAL 40.A N LEU 35.A O no hydrogen 2.901 N/A TYR 42.A OH GLU 36.A OE2 no hydrogen 2.649 N/A HIS 43.A N VAL 14.A O no hydrogen 2.848 N/A GLY 45.A N LEU 16.A O no hydrogen 2.998 N/A HIS 47.A N ASP 65.A OD1 no hydrogen 3.267 N/A HIS 47.A N ASP 65.A OD2 no hydrogen 2.939 N/A HIS 47.A ND1 ASP 65.A OD1 no hydrogen 3.105 N/A VAL 48.A N GLY 45.A O no hydrogen 3.170 N/A ALA 50.A N HIS 47.A O no hydrogen 2.939 N/A ARG 51.A NH1 ILE 23.A O no hydrogen 2.826 N/A ARG 51.A NH1 GLU 49.A O no hydrogen 3.159 N/A ARG 51.A NH2 ILE 23.A O no hydrogen 2.871 N/A TYR 52.A N LEU 55.A O no hydrogen 2.953 N/A LEU 55.A N TYR 52.A O no hydrogen 2.966 N/A ALA 56.A N ALA 20.A O no hydrogen 2.865 N/A GLY 57.A N LEU 55.A O no hydrogen 2.926 N/A THR 58.A N GLN 61.A OE1 no hydrogen 2.993 N/A GLN 61.A N THR 58.A OG1 no hydrogen 3.063 N/A ARG 62.A N THR 58.A O no hydrogen 2.981 N/A ARG 62.A NE GLY 57.A O no hydrogen 2.959 N/A ARG 62.A NH1 PRO 19.A O no hydrogen 3.023 N/A ARG 62.A NH1 GLY 86.A O no hydrogen 2.966 N/A ARG 62.A NH1 GLN 89.A OE1 no hydrogen 3.413 N/A ARG 62.A NH2 GLY 57.A O no hydrogen 3.147 N/A ARG 62.A NH2 GLN 89.A OE1 no hydrogen 2.806 N/A LEU 63.A N VAL 59.A O no hydrogen 2.853 N/A GLU 64.A N GLU 60.A O no hydrogen 2.975 N/A ASP 65.A N GLN 61.A O no hydrogen 3.216 N/A LEU 66.A N ARG 62.A O no hydrogen 2.953 N/A HIS 67.A N LEU 63.A O no hydrogen 2.848 N/A ASN 68.A N GLU 64.A O no hydrogen 2.905 N/A ALA 69.A N ASP 65.A O no hydrogen 3.081 N/A PHE 70.A N HIS 67.A O no hydrogen 3.004 N/A ASP 71.A N HIS 67.A O no hydrogen 3.007 N/A ASP 71.A N ASN 68.A O no hydrogen 3.145 N/A MET 72.A N ASN 68.A O no hydrogen 3.143 N/A THR 76.A N ARG 13.A O no hydrogen 2.823 N/A THR 76.A OG1 ASP 11.A O no hydrogen 2.668 N/A THR 76.A OG1 ARG 13.A O no hydrogen 3.562 N/A VAL 78.A N PRO 106.A O no hydrogen 2.851 N/A TRP 79.A N ALA 15.A O no hydrogen 2.815 N/A TRP 79.A NE1 PRO 131.A O no hydrogen 2.853 N/A CYS 80.A N ILE 108.A O no hydrogen 2.936 N/A LEU 81.A N ILE 17.A O no hydrogen 2.810 N/A ARG 82.A NH1 ALA 22.A O no hydrogen 2.806 N/A TYR 85.A N SER 21.A OG no hydrogen 2.980 N/A GLY 86.A N ASP 112.A OD1 no hydrogen 3.362 N/A CYS 87.A N ASP 112.A OD2 no hydrogen 2.927 N/A CYS 87.A SG ASP 112.A O no hydrogen 3.195 N/A CYS 87.A SG ASP 112.A OD2 no hydrogen 3.172 N/A GLN 89.A N GLY 86.A O no hydrogen 3.098 N/A GLN 89.A NE2 TYR 85.A OH no hydrogen 3.086 N/A LEU 90.A N CYS 87.A O no hydrogen 3.073 N/A LEU 91.A N GLY 88.A O no hydrogen 3.122 N/A GLY 93.A N LEU 90.A O no hydrogen 3.337 N/A LEU 94.A N LEU 91.A O no hydrogen 3.324 N/A ASP 95.A N HIS 67.A NE2 no hydrogen 2.975 N/A ARG 98.A N ASP 95.A OD1 no hydrogen 3.242 N/A ARG 98.A NE ASP 95.A OD2 no hydrogen 3.293 N/A ARG 98.A NH2 ASP 95.A OD2 no hydrogen 3.040 N/A LEU 99.A N ASP 95.A O no hydrogen 3.227 N/A GLU 100.A N TRP 96.A O no hydrogen 2.855 N/A ALA 101.A N GLY 97.A O no hydrogen 2.972 N/A ALA 102.A N LEU 99.A O no hydrogen 3.286 N/A ARG 105.A NE SER 103.A O no hydrogen 2.945 N/A ARG 105.A NH1 ALA 69.A O no hydrogen 2.762 N/A ARG 105.A NH1 MET 72.A O no hydrogen 2.739 N/A ARG 105.A NH2 MET 72.A O no hydrogen 3.454 N/A ARG 105.A NH2 SER 103.A OG no hydrogen 2.938 N/A LEU 107.A N PRO 126.A O no hydrogen 3.178 N/A ILE 108.A N VAL 78.A O no hydrogen 2.811 N/A GLY 109.A N ILE 128.A O no hydrogen 3.119 N/A ILE 113.A N PHE 110.A O no hydrogen 3.055 N/A SER 114.A N ALA 111.A O no hydrogen 2.926 N/A SER 114.A OG ALA 111.A O no hydrogen 2.743 N/A VAL 115.A N ASP 112.A O no hydrogen 3.046 N/A LEU 117.A N ILE 113.A O no hydrogen 2.931 N/A SER 118.A N SER 114.A O no hydrogen 2.989 N/A ALA 119.A N VAL 115.A O no hydrogen 3.154 N/A PHE 120.A N LEU 116.A O no hydrogen 2.829 N/A HIS 121.A N LEU 117.A O no hydrogen 2.944 N/A ARG 122.A N SER 118.A O no hydrogen 2.988 N/A HIS 123.A N ALA 119.A O no hydrogen 3.156 N/A HIS 123.A N PHE 120.A O no hydrogen 2.927 N/A HIS 123.A ND1 ALA 119.A O no hydrogen 2.846 N/A GLY 124.A N HIS 121.A O no hydrogen 3.000 N/A LEU 125.A N PHE 120.A O no hydrogen 2.904 N/A ILE 128.A N LEU 107.A O no hydrogen 2.775 N/A HIS 129.A N TRP 279.A O no hydrogen 2.962 N/A GLY 130.A N GLY 109.A O no hydrogen 3.017 N/A ALA 133.A N CYS 80.A O no hydrogen 2.943 N/A THR 134.A N LEU 81.A O no hydrogen 3.045 N/A THR 134.A OG1 LEU 81.A O no hydrogen 2.678 N/A GLY 135.A N VAL 132.A O no hydrogen 3.023 N/A LEU 136.A N ALA 133.A O no hydrogen 2.969 N/A GLY 137.A N THR 134.A O no hydrogen 3.034 N/A ALA 143.A N GLN 139.A O no hydrogen 2.998 N/A SER 144.A N GLU 140.A O no hydrogen 2.916 N/A SER 144.A OG GLU 140.A O no hydrogen 2.941 N/A SER 144.A OG ALA 274.A O no hydrogen 3.015 N/A LEU 145.A N ARG 141.A O no hydrogen 2.952 N/A ALA 146.A N LEU 142.A O no hydrogen 2.956 N/A SER 147.A N ALA 143.A O no hydrogen 3.045 N/A SER 147.A N SER 144.A O no hydrogen 3.232 N/A SER 147.A OG SER 144.A O no hydrogen 2.648 N/A VAL 148.A N LEU 145.A O no hydrogen 3.420 N/A SER 149.A OG GLN 8.A O no hydrogen 3.470 N/A SER 149.A OG ALA 146.A O no hydrogen 3.080 N/A ARG 150.A N ALA 146.A O no hydrogen 3.213 N/A ARG 150.A NE ASP 156.A OD2 no hydrogen 2.930 N/A ARG 150.A NH1 SER 2.A OG no hydrogen 2.857 N/A ARG 150.A NH1 THR 6.A O no hydrogen 3.036 N/A ARG 150.A NH2 ASP 156.A OD1 no hydrogen 2.978 N/A LEU 151.A N SER 147.A O no hydrogen 2.921 N/A LEU 152.A N VAL 148.A O no hydrogen 2.943 N/A ALA 153.A N SER 149.A O no hydrogen 3.082 N/A GLY 154.A N LEU 151.A O no hydrogen 2.945 N/A ILE 155.A N ARG 150.A O no hydrogen 3.149 N/A HIS 157.A ND1 TRP 294.A OXT no hydrogen 3.048 N/A LEU 159.A N LEU 292.A O no hydrogen 2.911 N/A VAL 161.A N ASN 290.A O no hydrogen 3.057 N/A GLN 162.A N HIS 266.A O no hydrogen 2.885 N/A HIS 163.A NE2 HIS 167.A O no hydrogen 3.009 N/A LEU 164.A N LEU 264.A O no hydrogen 2.823 N/A GLY 165.A N LEU 264.A O no hydrogen 2.996 N/A GLN 169.A N HIS 167.A ND1 no hydrogen 3.001 N/A ARG 170.A NH1 GLU 172.A OE1 no hydrogen 2.985 N/A ARG 170.A NH2 GLU 172.A OE1 no hydrogen 2.702 N/A VAL 171.A N LEU 287.A O no hydrogen 2.957 N/A GLY 173.A N ALA 285.A O no hydrogen 3.064 N/A LEU 175.A N LYS 283.A O no hydrogen 2.970 N/A ILE 176.A N ILE 200.A O no hydrogen 2.977 N/A GLY 177.A N TYR 281.A OH no hydrogen 3.044 N/A GLY 178.A N VAL 202.A O no hydrogen 2.849 N/A ASN 179.A N SER 114.A OG no hydrogen 3.154 N/A ASN 179.A ND2 GLU 204.A OE2 no hydrogen 2.933 N/A ASN 179.A ND2 ASP 205.A OD1 no hydrogen 3.059 N/A LEU 180.A N GLU 204.A O no hydrogen 3.037 N/A THR 181.A N ASP 205.A OD2 no hydrogen 3.030 N/A THR 181.A OG1 ASP 205.A OD2 no hydrogen 2.593 N/A THR 181.A OG1 GLU 208.A OE2 no hydrogen 3.458 N/A ALA 182.A N ASN 179.A OD1 no hydrogen 2.865 N/A LEU 183.A N ASN 179.A O no hydrogen 3.128 N/A ALA 184.A N LEU 180.A O no hydrogen 2.932 N/A CYS 185.A N THR 181.A O no hydrogen 3.012 N/A CYS 185.A SG THR 181.A O no hydrogen 3.174 N/A MET 186.A N LEU 183.A O no hydrogen 3.037 N/A ALA 187.A N ALA 184.A O no hydrogen 3.114 N/A THR 189.A N MET 186.A O no hydrogen 3.137 N/A THR 189.A OG1 MET 186.A O no hydrogen 2.734 N/A GLY 191.A N THR 189.A OG1 no hydrogen 3.044 N/A GLY 192.A N THR 189.A O no hydrogen 3.094 N/A HIS 194.A N SER 118.A OG no hydrogen 2.889 N/A GLY 198.A N GLN 228.A O no hydrogen 2.788 N/A SER 199.A N PRO 196.A O no hydrogen 3.209 N/A SER 199.A OG PRO 196.A O no hydrogen 2.651 N/A ILE 200.A N ALA 174.A O no hydrogen 2.856 N/A LEU 201.A N ALA 231.A O no hydrogen 2.901 N/A VAL 202.A N ILE 176.A O no hydrogen 2.858 N/A LEU 203.A N CYS 233.A O no hydrogen 3.110 N/A GLU 204.A N GLY 178.A O no hydrogen 2.998 N/A ASP 205.A N SER 236.A O no hydrogen 3.074 N/A VAL 206.A N ASP 205.A OD1 no hydrogen 2.822 N/A GLY 207.A N THR 238.A O no hydrogen 2.976 N/A ARG 212.A N PRO 209.A O no hydrogen 3.138 N/A LEU 213.A N PRO 209.A O no hydrogen 3.301 N/A GLU 214.A N TYR 210.A O no hydrogen 2.874 N/A ARG 215.A N TYR 211.A O no hydrogen 2.975 N/A SER 216.A N ARG 212.A O no hydrogen 3.004 N/A SER 216.A OG ARG 212.A O no hydrogen 3.237 N/A LEU 217.A N LEU 213.A O no hydrogen 2.867 N/A TRP 218.A N GLU 214.A O no hydrogen 2.810 N/A GLN 219.A N ARG 215.A O no hydrogen 3.119 N/A LEU 220.A N SER 216.A O no hydrogen 2.851 N/A LEU 221.A N LEU 217.A O no hydrogen 2.923 N/A GLU 222.A N TRP 218.A O no hydrogen 2.944 N/A SER 223.A N GLN 219.A O no hydrogen 2.903 N/A SER 223.A N LEU 220.A O no hydrogen 3.148 N/A SER 223.A OG GLN 219.A O no hydrogen 3.308 N/A SER 223.A OG LEU 220.A O no hydrogen 2.817 N/A ALA 226.A N ILE 224.A O no hydrogen 2.869 N/A ARG 227.A NH1 GLU 261.A OE1 no hydrogen 2.836 N/A ARG 227.A NH2 GLU 261.A OE1 no hydrogen 2.858 N/A GLN 228.A N ASP 225.A O no hydrogen 3.205 N/A LEU 229.A N ALA 226.A O no hydrogen 3.041 N/A GLY 230.A N SER 199.A O no hydrogen 2.782 N/A ALA 231.A N SER 199.A O no hydrogen 3.285 N/A ILE 232.A N PRO 263.A O no hydrogen 2.906 N/A CYS 233.A N LEU 201.A O no hydrogen 2.800 N/A LEU 234.A N TYR 265.A O no hydrogen 2.832 N/A GLY 235.A N LEU 203.A O no hydrogen 2.772 N/A SER 236.A N SER 270.A O no hydrogen 2.918 N/A SER 236.A OG SER 270.A O no hydrogen 3.336 N/A THR 238.A N ASP 205.A O no hydrogen 3.092 N/A CYS 240.A SG THR 238.A O no hydrogen 3.519 N/A ARG 242.A NE VAL 245.A O no hydrogen 2.905 N/A ARG 242.A NH2 VAL 245.A O no hydrogen 3.212 N/A VAL 245.A N ARG 242.A O no hydrogen 3.039 N/A ARG 251.A N SER 248.A OG no hydrogen 2.962 N/A ILE 252.A N SER 248.A O no hydrogen 3.042 N/A PHE 253.A N LEU 249.A O no hydrogen 2.905 N/A GLY 254.A N GLU 250.A O no hydrogen 2.847 N/A GLU 255.A N ARG 251.A O no hydrogen 2.988 N/A TYR 256.A N ILE 252.A O no hydrogen 3.137 N/A TYR 256.A OH GLU 214.A OE2 no hydrogen 2.688 N/A ALA 257.A N PHE 253.A O no hydrogen 2.905 N/A ALA 258.A N GLY 254.A O no hydrogen 2.936 N/A ALA 259.A N GLU 255.A O no hydrogen 3.003 N/A ILE 260.A N TYR 256.A O no hydrogen 3.190 N/A GLU 261.A N ALA 258.A O no hydrogen 3.136 N/A VAL 262.A N ALA 257.A O no hydrogen 3.106 N/A LEU 264.A N GLY 165.A O no hydrogen 2.891 N/A TYR 265.A N ILE 232.A O no hydrogen 2.910 N/A HIS 266.A N GLN 162.A O no hydrogen 2.848 N/A HIS 266.A ND1 GLN 162.A O no hydrogen 3.216 N/A LEU 268.A N LEU 234.A O no hydrogen 3.041 N/A SER 270.A N LEU 268.A O no hydrogen 2.825 N/A GLY 271.A N ASN 276.A OD1 no hydrogen 3.006 N/A HIS 272.A ND1 GLU 204.A OE1 no hydrogen 2.609 N/A ASN 276.A N SER 144.A OG no hydrogen 2.853 N/A ARG 277.A N PRO 269.A O no hydrogen 2.863 N/A ARG 277.A NH2 ASP 4.A OD2 no hydrogen 3.272 N/A ALA 278.A N SER 147.A OG no hydrogen 2.923 N/A TRP 279.A N HIS 129.A O no hydrogen 2.942 N/A TRP 279.A NE1 SER 270.A OG no hydrogen 2.998 N/A TYR 281.A N ALA 127.A O no hydrogen 2.865 N/A GLY 282.A N LEU 175.A O no hydrogen 2.719 N/A ALA 285.A N GLY 173.A O no hydrogen 2.881 N/A VAL 286.A N ARG 293.A O no hydrogen 2.764 N/A LEU 287.A N VAL 171.A O no hydrogen 2.829 N/A GLU 288.A N ARG 291.A O no hydrogen 3.137 N/A ARG 291.A N GLU 288.A O no hydrogen 3.110 N/A ARG 291.A NH1 ASN 290.A O no hydrogen 2.893 N/A LEU 292.A N LEU 159.A O no hydrogen 2.874 N/A ARG 293.A N VAL 286.A O no hydrogen 2.815 N/A TRP 294.A N HIS 157.A O no hydrogen 2.961 N/A