Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q3m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N MET 11.A O no hydrogen 2.922 N/A LYS 4.A NZ ASN 8.A O no hydrogen 3.426 N/A LEU 5.A N TYR 9.A O no hydrogen 2.989 N/A ASN 6.A ND2 PRO 153.A O no hydrogen 2.951 N/A ASN 6.A ND2 ASN 177.A O no hydrogen 3.146 N/A ASN 7.A ND2 TYR 124.A OH no hydrogen 2.764 N/A ASN 7.A ND2 LYS 130.A O no hydrogen 2.920 N/A ASN 8.A N LEU 5.A O no hydrogen 2.873 N/A TYR 9.A N ASN 7.A OD1 no hydrogen 3.308 N/A TYR 9.A OH ASP 100.A OD1 no hydrogen 2.878 N/A MET 11.A N VAL 3.A O no hydrogen 2.759 N/A ILE 13.A N HIS 1.A O no hydrogen 2.862 N/A GLY 15.A N VAL 226.A O no hydrogen 3.036 N/A LEU 16.A N HIS 40.A O no hydrogen 2.847 N/A GLY 17.A N PRO 228.A O no hydrogen 2.912 N/A THR 18.A N ASP 42.A O no hydrogen 3.275 N/A THR 18.A OG1 ASP 42.A O no hydrogen 2.685 N/A ARG 20.A NH1 ILE 46.A O no hydrogen 2.984 N/A LYS 22.A N SER 21.A OG no hydrogen 2.510 N/A ASN 24.A N GLU 52.A OE1 no hydrogen 3.140 N/A ASN 24.A N GLU 52.A OE2 no hydrogen 2.977 N/A ASP 25.A N LYS 22.A O no hydrogen 3.307 N/A ASN 28.A N ASN 24.A O no hydrogen 2.915 N/A ALA 29.A N ASP 25.A O no hydrogen 3.304 N/A VAL 30.A N ALA 26.A O no hydrogen 3.254 N/A LYS 31.A N TYR 27.A O no hydrogen 3.493 N/A LYS 31.A NZ TYR 27.A OH no hydrogen 3.431 N/A ALA 32.A N ASN 28.A O no hydrogen 2.905 N/A ALA 33.A N ALA 29.A O no hydrogen 2.932 N/A LEU 34.A N VAL 30.A O no hydrogen 2.739 N/A GLU 35.A N LYS 31.A O no hydrogen 2.748 N/A GLY 37.A N ALA 33.A O no hydrogen 3.067 N/A GLY 37.A N LEU 34.A O no hydrogen 3.390 N/A TYR 38.A N ALA 33.A O no hydrogen 2.980 N/A TYR 38.A OH ILE 236.A O no hydrogen 2.738 N/A ARG 39.A NH1 LEU 34.A O no hydrogen 3.051 N/A ARG 39.A NH1 TYR 38.A O no hydrogen 2.795 N/A ILE 41.A N PHE 68.A O no hydrogen 2.706 N/A ASP 42.A N LEU 16.A O no hydrogen 2.983 N/A THR 43.A N THR 70.A O no hydrogen 2.647 N/A THR 43.A OG1 ALA 44.A O no hydrogen 3.477 N/A THR 43.A OG1 ASN 49.A OD1 no hydrogen 2.545 N/A ALA 44.A N THR 43.A OG1 no hydrogen 2.547 N/A TYR 47.A N ALA 44.A O no hydrogen 3.259 N/A GLY 48.A N MET 45.A O no hydrogen 3.226 N/A ASN 49.A ND2 PHE 19.A O no hydrogen 3.668 N/A VAL 53.A N ASN 49.A O no hydrogen 2.782 N/A GLY 54.A N GLU 50.A O no hydrogen 3.073 N/A ARG 55.A N GLU 51.A O no hydrogen 3.226 N/A ARG 55.A NH1 GLU 51.A O no hydrogen 2.939 N/A ALA 56.A N GLU 52.A O no hydrogen 3.189 N/A ILE 57.A N VAL 53.A O no hydrogen 3.207 N/A LYS 58.A N GLY 54.A O no hydrogen 3.366 N/A LYS 58.A NZ GLY 95.A O no hydrogen 2.914 N/A ASP 59.A N ARG 55.A O no hydrogen 3.174 N/A SER 60.A OG ILE 57.A O no hydrogen 2.709 N/A ILE 62.A N SER 60.A OG no hydrogen 3.366 N/A ARG 64.A NH1 ARG 64.A O no hydrogen 2.704 N/A ARG 64.A NH1 ASP 100.A OD2 no hydrogen 3.054 N/A ARG 64.A NH2 TYR 98.A O no hydrogen 3.019 N/A ARG 64.A NH2 ASP 100.A OD2 no hydrogen 2.747 N/A GLU 66.A N PRO 63.A O no hydrogen 3.102 N/A ILE 67.A N ARG 64.A O no hydrogen 3.026 N/A PHE 68.A N ARG 39.A O no hydrogen 2.642 N/A VAL 69.A N ASP 100.A OD2 no hydrogen 2.601 N/A THR 70.A N ILE 41.A O no hydrogen 2.892 N/A THR 71.A N LEU 101.A O no hydrogen 3.207 N/A THR 71.A OG1 GLU 50.A OE2 no hydrogen 2.738 N/A LYS 72.A NZ ASP 42.A OD1 no hydrogen 3.569 N/A LYS 72.A NZ ASP 42.A OD2 no hydrogen 2.736 N/A LYS 72.A NZ THR 43.A O no hydrogen 3.011 N/A LEU 73.A N LEU 103.A O no hydrogen 2.802 N/A ASN 75.A ND2 TYR 273.A O no hydrogen 2.574 N/A ASP 77.A N TRP 74.A O no hydrogen 3.001 N/A GLN 78.A N ASN 75.A O no hydrogen 3.335 N/A GLN 78.A NE2 TRP 106.A O no hydrogen 2.768 N/A GLY 79.A N THR 116.A OG1 no hydrogen 2.922 N/A TYR 80.A N SER 115.A OG no hydrogen 3.061 N/A TYR 80.A OH THR 122.A OG1 no hydrogen 2.892 N/A LYS 82.A NZ THR 76.A O no hydrogen 3.202 N/A THR 83.A N GLY 79.A O no hydrogen 2.784 N/A THR 83.A OG1 ASP 77.A O no hydrogen 3.229 N/A THR 83.A OG1 GLY 79.A O no hydrogen 2.803 N/A LEU 84.A N TYR 80.A O no hydrogen 3.231 N/A GLU 85.A N GLU 81.A O no hydrogen 3.442 N/A ALA 86.A N LYS 82.A O no hydrogen 2.989 N/A PHE 87.A N THR 83.A O no hydrogen 2.902 N/A ASN 88.A N LEU 84.A O no hydrogen 3.329 N/A THR 89.A N GLU 85.A O no hydrogen 3.085 N/A THR 89.A OG1 GLU 85.A O no hydrogen 3.048 N/A SER 90.A N ALA 86.A O no hydrogen 3.082 N/A SER 90.A OG GLU 50.A OE2 no hydrogen 2.935 N/A SER 90.A OG ALA 86.A O no hydrogen 3.114 N/A LEU 91.A N PHE 87.A O no hydrogen 2.730 N/A LYS 92.A N ASN 88.A O no hydrogen 2.846 N/A ASN 93.A N THR 89.A O no hydrogen 2.970 N/A ASN 93.A ND2 GLU 50.A OE1 no hydrogen 3.494 N/A LEU 94.A N SER 90.A O no hydrogen 2.967 N/A GLY 95.A N LYS 92.A O no hydrogen 3.085 N/A LEU 96.A N LEU 91.A O no hydrogen 3.268 N/A ILE 99.A N LYS 128.A O no hydrogen 2.801 N/A LEU 101.A N VAL 69.A O no hydrogen 3.215 N/A TYR 102.A N ALA 131.A O no hydrogen 3.075 N/A LEU 103.A N THR 71.A O no hydrogen 3.242 N/A ILE 104.A N GLY 133.A O no hydrogen 3.279 N/A HIS 105.A N LEU 73.A O no hydrogen 3.203 N/A LYS 108.A NZ VAL 271.A O no hydrogen 3.130 N/A LYS 108.A NZ TYR 273.A O no hydrogen 3.071 N/A ASN 112.A ND2 LYS 108.A O no hydrogen 2.859 N/A ALA 113.A N GLY 109.A O no hydrogen 2.991 N/A LEU 114.A N TYR 110.A O no hydrogen 2.858 N/A SER 115.A N ASP 111.A O no hydrogen 2.949 N/A THR 116.A N ASN 112.A O no hydrogen 3.091 N/A THR 116.A OG1 ASN 112.A O no hydrogen 2.616 N/A TYR 117.A N ALA 113.A O no hydrogen 2.863 N/A TYR 117.A OH ILE 151.A O no hydrogen 2.643 N/A ARG 118.A N LEU 114.A O no hydrogen 2.834 N/A ARG 118.A NH1 GLU 121.A OE1 no hydrogen 2.873 N/A ARG 118.A NH1 ASN 148.A O no hydrogen 3.295 N/A ARG 118.A NH2 ASN 148.A O no hydrogen 2.730 N/A PHE 120.A N THR 116.A O no hydrogen 3.079 N/A GLU 121.A N TYR 117.A O no hydrogen 2.757 N/A THR 122.A N ARG 118.A O no hydrogen 3.040 N/A THR 122.A OG1 TYR 80.A OH no hydrogen 2.892 N/A THR 122.A OG1 ARG 118.A O no hydrogen 3.088 N/A LEU 123.A N ALA 119.A O no hydrogen 3.056 N/A TYR 124.A N PHE 120.A O no hydrogen 2.863 N/A GLU 125.A N GLU 121.A O no hydrogen 2.981 N/A GLU 126.A N THR 122.A O no hydrogen 3.022 N/A GLY 127.A N TYR 124.A O no hydrogen 3.161 N/A LYS 128.A N LEU 123.A O no hydrogen 2.948 N/A LYS 130.A N ILE 99.A O no hydrogen 2.955 N/A GLY 133.A N TYR 102.A O no hydrogen 3.103 N/A VAL 134.A N VAL 155.A O no hydrogen 2.725 N/A SER 135.A OG GLN 157.A O no hydrogen 2.668 N/A ASN 136.A N GLN 157.A O no hydrogen 2.923 N/A ASN 136.A ND2 HIS 105.A O no hydrogen 2.810 N/A ASN 138.A N HIS 141.A ND1 no hydrogen 3.026 N/A VAL 139.A N ASN 138.A OD1 no hydrogen 2.769 N/A HIS 140.A NE2 ASP 269.A OD2 no hydrogen 2.830 N/A HIS 141.A NE2 ASP 269.A OD1 no hydrogen 2.624 N/A LEU 142.A N ASN 138.A O no hydrogen 3.044 N/A MET 143.A N VAL 139.A O no hydrogen 2.857 N/A TYR 144.A N HIS 140.A O no hydrogen 3.398 N/A LEU 145.A N HIS 141.A O no hydrogen 3.371 N/A MET 146.A N LEU 142.A O no hydrogen 2.789 N/A GLU 147.A N MET 143.A O no hydrogen 3.086 N/A ASN 148.A N TYR 144.A O no hydrogen 3.021 N/A ASN 148.A ND2 TYR 144.A O no hydrogen 2.861 N/A ALA 149.A N LEU 145.A O no hydrogen 2.815 N/A LYS 150.A N GLU 121.A OE2 no hydrogen 2.733 N/A ILE 151.A N GLU 121.A OE2 no hydrogen 2.941 N/A MET 154.A N ILE 132.A O no hydrogen 3.063 N/A ASN 156.A N GLN 179.A O no hydrogen 2.983 N/A ASN 156.A ND2 PHE 137.A O no hydrogen 3.043 N/A GLN 157.A N VAL 134.A O no hydrogen 2.993 N/A GLN 157.A NE2 ASP 42.A OD1 no hydrogen 3.069 N/A GLN 157.A NE2 GLU 181.A OE1 no hydrogen 2.933 N/A VAL 158.A N GLU 181.A O no hydrogen 2.796 N/A THR 160.A N TYR 183.A O no hydrogen 3.256 N/A THR 160.A OG1 VAL 158.A O no hydrogen 3.234 N/A HIS 161.A N LEU 164.A O no hydrogen 3.101 N/A HIS 161.A NE2 GLU 159.A OE2 no hydrogen 2.873 N/A THR 163.A OG1 HIS 161.A ND1 no hydrogen 2.815 N/A LEU 164.A N HIS 161.A ND1 no hydrogen 3.194 N/A LEU 164.A N HIS 161.A O no hydrogen 3.068 N/A GLN 165.A N ASN 259.A OD1 no hydrogen 2.957 N/A GLN 165.A NE2 VAL 162.A O no hydrogen 3.076 N/A GLN 165.A NE2 ILE 255.A O no hydrogen 2.794 N/A GLN 165.A NE2 ARG 256.A O no hydrogen 3.371 N/A ASN 166.A ND2 GLU 159.A O no hydrogen 2.609 N/A ASN 166.A ND2 THR 160.A OG1 no hydrogen 2.890 N/A HIS 167.A NE2 GLN 165.A OE1 no hydrogen 2.613 N/A HIS 170.A N ASN 166.A O no hydrogen 2.913 N/A ASP 171.A N HIS 167.A O no hydrogen 2.988 N/A TYR 172.A N PHE 168.A O no hydrogen 3.032 N/A CYS 173.A N LEU 169.A O no hydrogen 2.981 N/A CYS 173.A SG LEU 169.A O no hydrogen 3.248 N/A LYS 174.A N HIS 170.A O no hydrogen 2.978 N/A LYS 175.A N ASP 171.A O no hydrogen 2.977 N/A ASN 176.A N TYR 172.A O no hydrogen 3.058 N/A ASN 176.A N CYS 173.A O no hydrogen 3.014 N/A ASN 176.A ND2 TYR 172.A O no hydrogen 2.773 N/A ASN 177.A N LYS 174.A O no hydrogen 3.397 N/A ILE 178.A N CYS 173.A O no hydrogen 2.684 N/A GLN 179.A N MET 154.A O no hydrogen 2.825 N/A GLN 179.A NE2 LEU 180.A O no hydrogen 3.041 N/A GLN 179.A NE2 GLU 223.A O no hydrogen 3.090 N/A GLU 181.A N ASN 156.A O no hydrogen 2.921 N/A ALA 182.A N VAL 225.A O no hydrogen 2.666 N/A TYR 183.A N VAL 158.A O no hydrogen 3.158 N/A TYR 183.A OH ASN 136.A OD1 no hydrogen 2.821 N/A MET 187.A N ALA 184.A O no hydrogen 3.102 N/A HIS 189.A N SER 188.A OG no hydrogen 2.437 N/A GLN 190.A N MET 187.A O no hydrogen 2.856 N/A LEU 195.A N ILE 191.A O no hydrogen 3.223 N/A SER 196.A N LYS 192.A O no hydrogen 2.882 N/A SER 196.A OG LYS 192.A O no hydrogen 2.860 N/A SER 196.A OG ASP 193.A O no hydrogen 3.200 N/A ASN 197.A N LEU 194.A O no hydrogen 3.233 N/A MET 200.A N ASN 197.A OD1 no hydrogen 2.614 N/A ALA 201.A N ASN 197.A O no hydrogen 2.845 N/A LYS 202.A N GLU 198.A O no hydrogen 2.878 N/A ILE 203.A N THR 199.A O no hydrogen 3.181 N/A LYS 205.A N LYS 202.A O no hydrogen 2.666 N/A LYS 206.A N ILE 203.A O no hydrogen 3.162 N/A LYS 206.A NZ ASP 248.A OD1 no hydrogen 3.177 N/A LYS 206.A NZ ASP 248.A OD2 no hydrogen 2.375 N/A LYS 206.A NZ ASP 251.A OD1 no hydrogen 3.236 N/A LYS 206.A NZ ASP 251.A OD2 no hydrogen 3.156 N/A HIS 207.A NE2 ASP 251.A OD2 no hydrogen 2.877 N/A LYS 209.A N ALA 204.A O no hydrogen 3.108 N/A LYS 209.A NZ ASP 244.A OD1 no hydrogen 2.820 N/A LYS 209.A NZ ASP 244.A OD2 no hydrogen 2.827 N/A THR 210.A N GLN 213.A OE1 no hydrogen 2.903 N/A GLN 213.A N THR 210.A OG1 no hydrogen 3.360 N/A GLN 213.A NE2 GLN 238.A O no hydrogen 2.870 N/A ILE 214.A N THR 210.A O no hydrogen 3.155 N/A ALA 215.A N ILE 211.A O no hydrogen 3.139 N/A ILE 216.A N PRO 212.A O no hydrogen 2.981 N/A ARG 217.A N GLN 213.A O no hydrogen 3.069 N/A ARG 217.A NE GLU 221.A OE2 no hydrogen 2.719 N/A ARG 217.A NH1 VAL 242.A O no hydrogen 3.316 N/A ARG 217.A NH2 GLU 221.A OE2 no hydrogen 2.917 N/A TRP 218.A N ILE 214.A O no hydrogen 2.848 N/A LEU 219.A N ALA 215.A O no hydrogen 3.405 N/A ILE 220.A N ILE 216.A O no hydrogen 3.027 N/A GLU 221.A N ARG 217.A O no hydrogen 2.746 N/A ARG 222.A N TRP 218.A O no hydrogen 3.252 N/A ARG 222.A N LEU 219.A O no hydrogen 3.112 N/A ARG 222.A NH1 GLN 165.A O no hydrogen 2.908 N/A ARG 222.A NH2 GLN 165.A O no hydrogen 3.184 N/A ARG 222.A NH2 HIS 170.A ND1 no hydrogen 3.072 N/A GLU 223.A N ILE 220.A O no hydrogen 2.981 N/A ILE 224.A N LEU 219.A O no hydrogen 2.967 N/A VAL 225.A N LEU 180.A O no hydrogen 3.379 N/A VAL 226.A N ILE 13.A O no hydrogen 2.766 N/A ILE 227.A N ALA 182.A O no hydrogen 3.291 N/A SER 230.A OG THR 232.A O no hydrogen 3.486 N/A THR 232.A N SER 230.A OG no hydrogen 3.198 N/A ILE 236.A N THR 232.A O no hydrogen 3.070 N/A VAL 237.A N PRO 233.A O no hydrogen 3.196 N/A GLN 238.A N GLU 234.A O no hydrogen 2.976 N/A ASN 239.A N ARG 235.A O no hydrogen 2.782 N/A PHE 240.A N VAL 237.A O no hydrogen 3.123 N/A ASP 241.A N VAL 237.A O no hydrogen 2.964 N/A THR 246.A OG1 GLU 221.A OE2 no hydrogen 3.190 N/A LEU 247.A N GLU 221.A OE2 no hydrogen 3.013 N/A ASP 251.A N ASP 248.A OD1 no hydrogen 2.848 N/A MET 252.A N ASP 248.A O no hydrogen 3.097 N/A LYS 253.A N GLU 249.A O no hydrogen 2.966 N/A SER 254.A N GLU 250.A O no hydrogen 3.018 N/A ILE 255.A N ASP 251.A O no hydrogen 2.808 N/A ARG 256.A N MET 252.A O no hydrogen 2.934 N/A ARG 256.A NH1 ARG 256.A O no hydrogen 2.866 N/A VAL 258.A N ILE 255.A O no hydrogen 3.274 N/A ASN 259.A N ARG 256.A O no hydrogen 3.495 N/A THR 260.A N THR 163.A O no hydrogen 2.940 N/A THR 260.A OG1 THR 163.A O no hydrogen 3.264 N/A GLY 261.A N THR 163.A O no hydrogen 2.720 N/A LYS 262.A N THR 260.A OG1 no hydrogen 3.278 N/A LYS 263.A NZ GLU 159.A OE1 no hydrogen 2.925 N/A ILE 264.A N GLU 159.A OE2 no hydrogen 2.763 N/A PHE 265.A N GLU 159.A OE1 no hydrogen 2.916 N/A THR 266.A OG1 TYR 273.A OH no hydrogen 2.799 N/A ASP 269.A N GLU 267.A OE1 no hydrogen 2.755 N/A ASN 270.A N GLU 267.A O no hydrogen 3.104 N/A ASN 270.A ND2 GLU 267.A OE1 no hydrogen 2.712 N/A TYR 273.A OH THR 266.A OG1 no hydrogen 2.799 N/A