Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qml_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 54.A OE1 no hydrogen 2.756 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 3.165 N/A SER 6.A OG ASP 2.A OD2 no hydrogen 3.233 N/A SER 6.A OG TYR 3.A O no hydrogen 2.666 N/A PHE 9.A N PHE 5.A O no hydrogen 3.468 N/A LYS 10.A N SER 6.A O no hydrogen 2.854 N/A GLU 11.A N SER 7.A O no hydrogen 2.919 N/A MET 12.A N ASP 8.A O no hydrogen 3.057 N/A ARG 13.A N PHE 9.A O no hydrogen 2.950 N/A ARG 13.A NH1 GLU 54.A OE2 no hydrogen 3.149 N/A ARG 13.A NH2 GLU 54.A OE2 no hydrogen 2.937 N/A ASN 14.A N LYS 10.A O no hydrogen 3.352 N/A ASN 14.A N GLU 11.A O no hydrogen 3.060 N/A ILE 15.A N GLU 11.A O no hydrogen 3.154 N/A ILE 16.A N MET 12.A O no hydrogen 3.167 N/A SER 18.A N ILE 15.A O no hydrogen 3.424 N/A SER 18.A OG ILE 15.A O no hydrogen 2.618 N/A SER 18.A OG ASN 19.A OD1 no hydrogen 2.827 N/A SER 23.A N ASP 26.A OD2 no hydrogen 3.374 N/A ASP 26.A N SER 23.A OG no hydrogen 3.233 N/A ILE 27.A N SER 23.A O no hydrogen 3.009 N/A ALA 28.A N SER 24.A O no hydrogen 3.078 N/A ARG 29.A N GLN 25.A O no hydrogen 3.332 N/A LEU 30.A N ASP 26.A O no hydrogen 3.088 N/A GLU 31.A N ILE 27.A O no hydrogen 2.827 N/A ASP 32.A N ALA 28.A O no hydrogen 3.122 N/A SER 33.A N ARG 29.A O no hydrogen 2.802 N/A SER 33.A OG ARG 29.A O no hydrogen 3.424 N/A PHE 34.A N LEU 30.A O no hydrogen 2.979 N/A ASP 35.A N GLU 31.A O no hydrogen 2.892 N/A ASP 35.A N ASP 32.A O no hydrogen 3.092 N/A ARG 36.A N ASP 32.A O no hydrogen 3.198 N/A ARG 36.A NE ASP 32.A O no hydrogen 3.288 N/A ILE 37.A N SER 33.A O no hydrogen 3.390 N/A MET 38.A N PHE 34.A O no hydrogen 3.190 N/A PHE 40.A N ILE 37.A O no hydrogen 2.909 N/A ALA 41.A N MET 38.A O no hydrogen 2.989 N/A ASP 43.A N PHE 40.A O no hydrogen 2.944 N/A HIS 46.A N ASP 43.A OD2 no hydrogen 2.786 N/A GLY 47.A N ASP 43.A O no hydrogen 2.727 N/A LYS 49.A N LYS 45.A O no hydrogen 3.117 N/A LYS 49.A NZ GLU 4.A OE1 no hydrogen 3.453 N/A ILE 50.A N HIS 46.A O no hydrogen 2.831 N/A ILE 51.A N GLY 47.A O no hydrogen 3.077 N/A THR 52.A N TYR 48.A O no hydrogen 2.964 N/A THR 52.A OG1 TYR 48.A O no hydrogen 3.029 N/A THR 52.A OG1 LYS 49.A O no hydrogen 2.945 N/A HIS 53.A N LYS 49.A O no hydrogen 2.955 N/A GLU 54.A N ILE 50.A O no hydrogen 2.763 N/A PHE 55.A N ILE 51.A O no hydrogen 3.013 N/A LEU 58.A N GLU 54.A O no hydrogen 2.879 N/A ALA 59.A N PHE 55.A O no hydrogen 2.877 N/A ASN 60.A N ALA 56.A O no hydrogen 3.140 N/A LEU 61.A N LEU 57.A O no hydrogen 3.095 N/A SER 62.A N LEU 58.A O no hydrogen 3.016 N/A SER 62.A OG THR 76.A OG1 no hydrogen 2.726 N/A LEU 63.A N ALA 59.A O no hydrogen 2.990 N/A ASN 64.A N ASN 60.A O no hydrogen 3.018 N/A ASN 66.A N ASN 64.A OD1 no hydrogen 2.883 N/A LEU 67.A N ASN 64.A O no hydrogen 3.206 N/A THR 70.A OG1 GLU 31.A OE1 no hydrogen 3.499 N/A THR 70.A OG1 GLU 31.A OE2 no hydrogen 3.476 N/A LEU 71.A N PRO 68.A O no hydrogen 2.963 N/A ARG 72.A N PRO 68.A O no hydrogen 3.199 N/A ARG 72.A NE SER 62.A O no hydrogen 3.040 N/A GLU 73.A N LEU 69.A O no hydrogen 2.799 N/A LEU 74.A N THR 70.A O no hydrogen 3.260 N/A SER 75.A N LEU 71.A O no hydrogen 3.136 N/A SER 75.A OG LEU 58.A O no hydrogen 3.454 N/A SER 75.A OG ARG 72.A O no hydrogen 3.202 N/A THR 76.A N ARG 72.A O no hydrogen 2.849 N/A THR 76.A OG1 SER 62.A OG no hydrogen 2.726 N/A THR 76.A OG1 ARG 72.A O no hydrogen 2.838 N/A ARG 77.A N GLU 73.A O no hydrogen 2.763 N/A ARG 77.A NE GLU 73.A OE1 no hydrogen 3.421 N/A ARG 77.A NE GLU 73.A OE2 no hydrogen 2.929 N/A ARG 77.A NH2 GLU 73.A OE1 no hydrogen 2.899 N/A VAL 78.A N LEU 74.A O no hydrogen 3.197 N/A ILE 79.A N SER 75.A O no hydrogen 3.376 N/A THR 80.A N THR 76.A O no hydrogen 3.129 N/A THR 80.A OG1 ARG 77.A O no hydrogen 2.979 N/A SER 81.A N ARG 77.A O no hydrogen 3.158 N/A SER 81.A OG ARG 77.A O no hydrogen 2.448 N/A CYS 82.A N VAL 78.A O no hydrogen 3.069 N/A CYS 82.A SG ALA 41.A O no hydrogen 3.737 N/A CYS 82.A SG GLY 47.A O no hydrogen 3.517 N/A CYS 82.A SG VAL 78.A O no hydrogen 3.091 N/A LEU 83.A N ILE 79.A O no hydrogen 2.899 N/A ARG 84.A N THR 80.A O no hydrogen 3.224 N/A ARG 84.A NH2 SER 126.A OG no hydrogen 3.342 N/A ASN 86.A N LEU 83.A O no hydrogen 3.105 N/A VAL 89.A N ASN 86.A O no hydrogen 2.912 N/A VAL 90.A N ASN 86.A O no hydrogen 3.122 N/A GLU 91.A N PRO 87.A O no hydrogen 2.898 N/A PHE 92.A N PRO 88.A O no hydrogen 3.039 N/A ILE 93.A N VAL 89.A O no hydrogen 2.984 N/A ASN 94.A N VAL 90.A O no hydrogen 3.067 N/A GLU 95.A N PHE 92.A O no hydrogen 3.242 N/A SER 96.A N PHE 92.A O no hydrogen 2.840 N/A SER 96.A OG GLU 95.A OE1 no hydrogen 3.163 N/A PHE 97.A N ILE 93.A O no hydrogen 2.865 N/A PHE 100.A N PHE 97.A O no hydrogen 3.257 N/A LYS 101.A NZ PRO 132.A O no hydrogen 2.963 N/A LYS 101.A NZ ASP 137.A OD1 no hydrogen 3.294 N/A LYS 101.A NZ ASP 137.A OD2 no hydrogen 2.576 N/A SER 102.A OG ASN 99.A O no hydrogen 2.567 N/A LYS 103.A N ASN 99.A O no hydrogen 3.033 N/A ILE 104.A N PHE 100.A O no hydrogen 2.783 N/A MET 105.A N LYS 101.A O no hydrogen 2.989 N/A ALA 106.A N SER 102.A O no hydrogen 3.052 N/A ALA 107.A N LYS 103.A O no hydrogen 3.049 N/A LEU 108.A N ILE 104.A O no hydrogen 2.969 N/A SER 109.A N MET 105.A O no hydrogen 3.152 N/A ASN 110.A N ALA 106.A O no hydrogen 3.120 N/A LEU 111.A N ALA 107.A O no hydrogen 2.832 N/A ASN 112.A N LEU 108.A O no hydrogen 3.102 N/A ASP 113.A N SER 109.A O no hydrogen 3.127 N/A SER 114.A OG LEU 111.A O no hydrogen 3.254 N/A SER 117.A OG ARG 115.A O no hydrogen 3.234 N/A ASN 118.A ND2 ASP 154.A OD2 no hydrogen 3.040 N/A ILE 121.A N SER 117.A O no hydrogen 3.164 N/A LYS 122.A N ASN 118.A O no hydrogen 2.975 N/A LYS 122.A NZ ASP 154.A OD1 no hydrogen 3.288 N/A LYS 122.A NZ ASP 154.A OD2 no hydrogen 3.016 N/A LYS 122.A NZ GLN 156.A OE1 no hydrogen 2.790 N/A ARG 123.A N ILE 119.A O no hydrogen 3.070 N/A ARG 123.A NE GLU 73.A OE2 no hydrogen 2.719 N/A ARG 123.A NH2 GLU 73.A OE2 no hydrogen 3.290 N/A TYR 124.A N LEU 120.A O no hydrogen 3.036 N/A TYR 124.A OH SER 62.A O no hydrogen 3.169 N/A LEU 125.A N ILE 121.A O no hydrogen 2.905 N/A SER 126.A N LYS 122.A O no hydrogen 2.862 N/A SER 126.A OG LYS 122.A O no hydrogen 3.154 N/A ILE 127.A N ARG 123.A O no hydrogen 2.987 N/A LEU 128.A N TYR 124.A O no hydrogen 2.896 N/A ASN 129.A N LEU 125.A O no hydrogen 2.990 N/A ASN 129.A N SER 126.A O no hydrogen 3.241 N/A ASN 129.A ND2 LEU 125.A O no hydrogen 3.122 N/A ASN 129.A ND2 LYS 160.A O no hydrogen 3.132 N/A GLU 130.A N SER 126.A O no hydrogen 3.094 N/A GLU 130.A N ILE 127.A O no hydrogen 2.913 N/A LEU 131.A N ILE 127.A O no hydrogen 3.124 N/A THR 134.A N ASP 137.A OD2 no hydrogen 3.216 N/A SER 135.A OG ALA 171.A O no hydrogen 2.715 N/A GLU 136.A N THR 134.A OG1 no hydrogen 3.155 N/A ASP 137.A N THR 134.A O no hydrogen 3.221 N/A LEU 138.A N SER 135.A O no hydrogen 3.479 N/A VAL 142.A N SER 140.A OG no hydrogen 3.347 N/A LEU 144.A N SER 140.A O no hydrogen 3.228 N/A GLN 145.A N THR 141.A O no hydrogen 2.934 N/A GLN 145.A NE2 GLU 149.A OE2 no hydrogen 2.728 N/A GLN 145.A NE2 GLU 182.A OE2 no hydrogen 2.926 N/A ASN 146.A N VAL 142.A O no hydrogen 2.837 N/A VAL 147.A N VAL 143.A O no hydrogen 2.750 N/A TYR 148.A N LEU 144.A O no hydrogen 2.795 N/A TYR 148.A OH GLU 182.A OE1 no hydrogen 3.321 N/A GLU 149.A N GLN 145.A O no hydrogen 2.953 N/A ARG 150.A N ASN 146.A O no hydrogen 2.815 N/A ARG 150.A NH1 ASN 112.A O no hydrogen 3.054 N/A ARG 150.A NH2 SER 114.A O no hydrogen 3.171 N/A ASN 151.A N TYR 148.A O no hydrogen 3.306 N/A ASN 151.A ND2 VAL 147.A O no hydrogen 2.532 N/A ASP 154.A N ASN 151.A O no hydrogen 2.598 N/A LYS 155.A NZ ASN 152.A OD1 no hydrogen 2.978 N/A LYS 155.A NZ GLN 158.A OE1 no hydrogen 3.363 N/A LEU 157.A N ASP 154.A O no hydrogen 3.051 N/A LEU 157.A N ASP 154.A OD1 no hydrogen 3.294 N/A GLN 158.A N ASP 154.A O no hydrogen 3.070 N/A GLN 158.A NE2 TYR 148.A O no hydrogen 3.313 N/A GLN 158.A NE2 ASN 152.A OD1 no hydrogen 3.687 N/A ILE 159.A N LYS 155.A O no hydrogen 2.806 N/A LYS 160.A N GLN 156.A O no hydrogen 3.200 N/A LYS 160.A NZ SER 126.A OG no hydrogen 2.718 N/A VAL 161.A N LEU 157.A O no hydrogen 2.923 N/A LEU 162.A N GLN 158.A O no hydrogen 2.908 N/A GLU 163.A N ILE 159.A O no hydrogen 3.023 N/A LEU 164.A N LYS 160.A O no hydrogen 3.222 N/A ILE 165.A N VAL 161.A O no hydrogen 3.018 N/A SER 166.A N LEU 162.A O no hydrogen 3.073 N/A SER 166.A OG LEU 162.A O no hydrogen 3.232 N/A SER 166.A OG THR 203.A OG1 no hydrogen 2.890 N/A LYS 167.A N GLU 163.A O no hydrogen 3.325 N/A LYS 167.A N LEU 164.A O no hydrogen 3.173 N/A LYS 167.A NZ ASN 129.A O no hydrogen 3.410 N/A LYS 167.A NZ ASN 129.A OD1 no hydrogen 3.204 N/A ILE 168.A N LEU 164.A O no hydrogen 2.990 N/A LEU 169.A N ILE 165.A O no hydrogen 2.978 N/A LYS 170.A N SER 166.A O no hydrogen 3.280 N/A ALA 171.A N LYS 167.A O no hydrogen 3.186 N/A ASP 172.A N ILE 168.A O no hydrogen 3.103 N/A ASP 172.A N LEU 169.A O no hydrogen 3.254 N/A MET 173.A N LEU 169.A O no hydrogen 3.171 N/A GLN 177.A NE2 ASN 181.A OD1 no hydrogen 2.607 N/A GLN 177.A NE2 THR 216.A O no hydrogen 3.026 N/A TRP 179.A NE1 THR 141.A OG1 no hydrogen 3.139 N/A ALA 180.A N LEU 176.A O no hydrogen 3.472 N/A ASN 181.A N GLN 177.A O no hydrogen 2.829 N/A GLU 182.A N GLU 178.A O no hydrogen 3.044 N/A PHE 183.A N TRP 179.A O no hydrogen 2.950 N/A GLN 184.A N ALA 180.A O no hydrogen 3.192 N/A GLN 184.A NE2 ALA 180.A O no hydrogen 2.897 N/A GLN 184.A NE2 THR 216.A O no hydrogen 3.428 N/A GLU 185.A N ASN 181.A O no hydrogen 3.227 N/A MET 186.A N GLU 182.A O no hydrogen 2.935 N/A VAL 187.A N PHE 183.A O no hydrogen 2.754 N/A GLN 188.A N GLU 185.A O no hydrogen 3.300 N/A ASN 189.A N MET 186.A O no hydrogen 2.749 N/A SER 191.A N ASN 189.A OD1 no hydrogen 3.072 N/A SER 191.A OG ASN 189.A OD1 no hydrogen 2.735 N/A HIS 196.A N ASP 193.A O no hydrogen 3.040 N/A HIS 196.A N ASP 193.A OD2 no hydrogen 3.273 N/A THR 197.A N ASP 193.A O no hydrogen 2.959 N/A THR 197.A OG1 ASP 193.A O no hydrogen 3.216 N/A ARG 198.A N GLU 194.A O no hydrogen 2.993 N/A ARG 198.A NE GLU 194.A OE2 no hydrogen 2.633 N/A ARG 198.A NH2 GLU 194.A OE2 no hydrogen 3.553 N/A ARG 198.A NH2 GLN 247.A OE1 no hydrogen 2.682 N/A THR 199.A N LEU 195.A O no hydrogen 3.264 N/A THR 199.A OG1 LEU 195.A O no hydrogen 2.962 N/A PHE 200.A N HIS 196.A O no hydrogen 2.969 N/A PHE 201.A N THR 197.A O no hydrogen 2.765 N/A ASP 202.A N ARG 198.A O no hydrogen 2.746 N/A THR 203.A N THR 199.A O no hydrogen 3.152 N/A THR 203.A OG1 SER 166.A OG no hydrogen 2.890 N/A THR 203.A OG1 THR 199.A O no hydrogen 3.238 N/A LEU 204.A N PHE 200.A O no hydrogen 3.131 N/A TYR 205.A N PHE 201.A O no hydrogen 2.786 N/A ASN 206.A N ASP 202.A O no hydrogen 2.845 N/A LEU 207.A N THR 203.A O no hydrogen 2.997 N/A LYS 208.A N LEU 204.A O no hydrogen 2.940 N/A LYS 208.A NZ LYS 212.A O no hydrogen 2.996 N/A LYS 208.A NZ ILE 215.A O no hydrogen 2.703 N/A LYS 209.A N TYR 205.A O no hydrogen 2.792 N/A ILE 210.A N ASN 206.A O no hydrogen 2.900 N/A PHE 211.A N LEU 207.A O no hydrogen 2.819 N/A LYS 212.A N LYS 208.A O no hydrogen 3.166 N/A LYS 212.A NZ LYS 209.A O no hydrogen 3.538 N/A ASP 214.A N PHE 211.A O no hydrogen 2.922 N/A ILE 215.A N LYS 212.A O no hydrogen 3.185 N/A THR 216.A N GLN 177.A OE1 no hydrogen 2.828 N/A ASN 218.A N GLN 184.A OE1 no hydrogen 2.802 N/A ASN 218.A ND2 ASN 181.A OD1 no hydrogen 3.336 N/A LEU 222.A N ASN 218.A O no hydrogen 3.235 N/A ASN 223.A N LYS 219.A O no hydrogen 2.903 N/A TRP 224.A N GLY 220.A O no hydrogen 2.831 N/A LEU 225.A N PHE 221.A O no hydrogen 2.722 N/A ALA 226.A N LEU 222.A O no hydrogen 3.083 N/A GLN 227.A N ASN 223.A O no hydrogen 3.118 N/A GLN 228.A N TRP 224.A O no hydrogen 2.826 N/A CYS 229.A N LEU 225.A O no hydrogen 2.915 N/A CYS 229.A N ALA 226.A O no hydrogen 3.040 N/A CYS 229.A SG LEU 225.A O no hydrogen 3.326 N/A LYS 230.A N ALA 226.A O no hydrogen 3.272 N/A ALA 231.A N GLN 227.A O no hydrogen 3.211 N/A ARG 232.A N GLN 228.A O no hydrogen 3.165 N/A ARG 232.A NE ASP 251.A OD1 no hydrogen 3.081 N/A ARG 232.A NH1 GLU 194.A OE1 no hydrogen 3.438 N/A ARG 232.A NH2 GLU 194.A OE1 no hydrogen 3.148 N/A ARG 232.A NH2 GLU 194.A OE2 no hydrogen 2.715 N/A ARG 232.A NH2 ASP 251.A OD1 no hydrogen 3.210 N/A GLN 233.A N CYS 229.A O no hydrogen 3.023 N/A SER 234.A N LYS 230.A O no hydrogen 2.862 N/A SER 234.A OG LYS 230.A O no hydrogen 2.801 N/A SER 234.A OG ALA 231.A O no hydrogen 2.500 N/A ASN 235.A N ARG 232.A O no hydrogen 3.195 N/A LEU 236.A N ARG 232.A O no hydrogen 3.143 N/A ASP 237.A N GLN 233.A O no hydrogen 2.995 N/A ASN 238.A ND2 GLY 239.A O no hydrogen 2.782 N/A ARG 243.A NE ASP 248.A OD2 no hydrogen 2.842 N/A ARG 243.A NH2 ASN 235.A O no hydrogen 2.954 N/A ARG 243.A NH2 ASP 248.A OD1 no hydrogen 2.987 N/A ARG 243.A NH2 ASP 248.A OD2 no hydrogen 3.509 N/A GLN 247.A N ASP 244.A OD1 no hydrogen 3.205 N/A GLN 247.A NE2 GLU 194.A OE2 no hydrogen 3.047 N/A GLN 247.A NE2 GLN 247.A O no hydrogen 3.538 N/A GLN 247.A NE2 ASP 251.A OD1 no hydrogen 2.809 N/A ASP 248.A N ASP 244.A O no hydrogen 2.842 N/A SER 249.A N THR 245.A O no hydrogen 3.138 N/A SER 249.A OG THR 245.A O no hydrogen 3.049 N/A PHE 250.A N GLU 246.A O no hydrogen 3.191 N/A ASP 251.A N GLN 247.A O no hydrogen 3.021 N/A LYS 252.A N ASP 248.A O no hydrogen 3.065 N/A LYS 253.A N SER 249.A O no hydrogen 2.936 N/A LEU 254.A N PHE 250.A O no hydrogen 3.005 N/A LEU 254.A N ASP 251.A O no hydrogen 3.005 N/A ILE 255.A N ASP 251.A O no hydrogen 2.883 N/A ASP 256.A N LYS 252.A O no hydrogen 3.052 N/A SER 257.A N LEU 254.A O no hydrogen 3.277 N/A SER 257.A OG LEU 254.A O no hydrogen 2.506 N/A ARG 258.A N ILE 255.A O no hydrogen 3.293 N/A PHE 262.A N SER 257.A O no hydrogen 2.825 N/A