Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5l1z_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 8.A N LEU 183.A O no hydrogen 2.807 N/A THR 9.A N GLN 12.A OE1 no hydrogen 2.963 N/A ARG 10.A NE GLU 234.A OE1 no hydrogen 3.339 N/A ARG 10.A NH1 GLU 234.A OE1 no hydrogen 3.084 N/A LEU 13.A N THR 9.A O no hydrogen 2.994 N/A GLU 14.A N ARG 10.A O no hydrogen 3.111 N/A ASN 15.A N GLN 12.A O no hydrogen 3.093 N/A SER 16.A OG GLU 28.A OE1 no hydrogen 2.916 N/A SER 16.A OG GLU 28.A OE2 no hydrogen 2.517 N/A SER 18.A OG SER 68.A OG no hydrogen 3.224 N/A ARG 19.A NE VAL 23.A O no hydrogen 2.542 N/A ARG 19.A NH1 GLU 14.A O no hydrogen 2.581 N/A ARG 20.A N PRO 17.A O no hydrogen 3.099 N/A PHE 21.A N SER 18.A O no hydrogen 3.060 N/A GLU 28.A N ASP 24.A O no hydrogen 2.861 N/A LEU 29.A N PRO 25.A O no hydrogen 3.205 N/A SER 30.A N ASP 26.A O no hydrogen 3.341 N/A TYR 31.A N LYS 27.A O no hydrogen 3.261 N/A ARG 32.A N GLU 28.A O no hydrogen 3.075 N/A ARG 32.A NH1 HIS 61.A O no hydrogen 3.404 N/A ARG 32.A NH2 GLU 28.A OE1 no hydrogen 2.944 N/A GLN 33.A N LEU 29.A O no hydrogen 2.964 N/A GLN 33.A NE2 LEU 178.A O no hydrogen 3.625 N/A GLN 34.A N SER 30.A O no hydrogen 2.969 N/A GLN 34.A NE2 SER 30.A O no hydrogen 3.379 N/A GLN 34.A NE2 SER 30.A OG no hydrogen 3.096 N/A ALA 35.A N TYR 31.A O no hydrogen 2.805 N/A ALA 36.A N ARG 32.A O no hydrogen 2.901 N/A ASN 37.A N GLN 33.A O no hydrogen 2.942 N/A LEU 38.A N GLN 34.A O no hydrogen 2.996 N/A LEU 39.A N ALA 35.A O no hydrogen 3.093 N/A GLN 40.A N ALA 36.A O no hydrogen 2.951 N/A GLN 40.A NE2 GLN 40.A O no hydrogen 3.292 N/A GLN 40.A NE2 GLN 50.A OE1 no hydrogen 3.483 N/A ASP 41.A N ASN 37.A O no hydrogen 2.895 N/A MET 42.A N LEU 38.A O no hydrogen 2.875 N/A GLY 43.A N LEU 39.A O no hydrogen 2.890 N/A GLN 44.A N GLN 40.A O no hydrogen 3.256 N/A ARG 45.A N ASP 41.A O no hydrogen 3.149 N/A LEU 46.A N MET 42.A O no hydrogen 2.912 N/A LEU 46.A N GLY 43.A O no hydrogen 3.156 N/A ASN 47.A N GLN 44.A O no hydrogen 3.119 N/A VAL 48.A N GLY 43.A O no hydrogen 3.029 N/A SER 49.A N GLN 91.A OE1 no hydrogen 3.268 N/A SER 49.A OG THR 52.A OG1 no hydrogen 3.178 N/A GLN 50.A NE2 GLN 40.A OE1 no hydrogen 3.122 N/A GLN 50.A NE2 GLN 50.A O no hydrogen 3.274 N/A GLN 50.A NE2 ASN 54.A OD1 no hydrogen 3.258 N/A THR 52.A N SER 49.A O no hydrogen 2.897 N/A THR 52.A OG1 SER 49.A OG no hydrogen 3.178 N/A ILE 53.A N SER 49.A O no hydrogen 3.456 N/A ASN 54.A N GLN 50.A O no hydrogen 2.880 N/A THR 55.A N LEU 51.A O no hydrogen 2.894 N/A THR 55.A OG1 LEU 51.A O no hydrogen 2.626 N/A THR 55.A OG1 HIS 146.A NE2 no hydrogen 2.845 N/A ALA 56.A N THR 52.A O no hydrogen 2.989 N/A ILE 57.A N ILE 53.A O no hydrogen 2.887 N/A VAL 58.A N ASN 54.A O no hydrogen 3.007 N/A TYR 59.A N THR 55.A O no hydrogen 3.265 N/A TYR 59.A OH LEU 142.A O no hydrogen 2.715 N/A MET 60.A N ALA 56.A O no hydrogen 3.194 N/A HIS 61.A N ILE 57.A O no hydrogen 3.072 N/A HIS 61.A NE2 LEU 176.A O no hydrogen 2.993 N/A ARG 62.A N VAL 58.A O no hydrogen 3.043 N/A ARG 62.A NH1 GLU 141.A OE2 no hydrogen 3.461 N/A PHE 63.A N TYR 59.A O no hydrogen 2.646 N/A TYR 64.A N MET 60.A O no hydrogen 3.176 N/A TYR 64.A OH PHE 72.A O no hydrogen 3.375 N/A TYR 64.A OH PRO 73.A O no hydrogen 3.284 N/A MET 65.A N ARG 62.A O no hydrogen 2.982 N/A ILE 66.A N PHE 63.A O no hydrogen 3.359 N/A GLN 67.A N PHE 63.A O no hydrogen 3.003 N/A SER 68.A OG SER 18.A OG no hydrogen 3.224 N/A PHE 69.A N SER 18.A OG no hydrogen 3.041 N/A THR 70.A N SER 68.A OG no hydrogen 3.335 N/A GLN 71.A N SER 68.A O no hydrogen 2.948 N/A PHE 72.A N SER 68.A O no hydrogen 2.877 N/A SER 76.A N PRO 73.A O no hydrogen 3.202 N/A VAL 77.A N PRO 73.A O no hydrogen 3.186 N/A ALA 78.A N GLY 74.A O no hydrogen 3.336 N/A ALA 81.A N VAL 77.A O no hydrogen 2.741 N/A LEU 82.A N ALA 78.A O no hydrogen 2.885 N/A PHE 83.A N PRO 79.A O no hydrogen 2.944 N/A LEU 84.A N ALA 80.A O no hydrogen 2.940 N/A LEU 84.A N ALA 81.A O no hydrogen 3.122 N/A ALA 85.A N ALA 81.A O no hydrogen 2.870 N/A ALA 86.A N LEU 82.A O no hydrogen 3.007 N/A LYS 87.A NZ GLU 131.A OE2 no hydrogen 3.332 N/A VAL 88.A N LEU 84.A O no hydrogen 3.209 N/A GLU 89.A N ALA 85.A O no hydrogen 2.855 N/A GLU 90.A N LYS 87.A O no hydrogen 3.151 N/A GLN 91.A N ALA 86.A O no hydrogen 2.705 N/A LYS 93.A NZ LEU 46.A O no hydrogen 3.441 N/A HIS 97.A N LYS 94.A O no hydrogen 2.735 N/A VAL 98.A N LYS 94.A O no hydrogen 3.098 N/A ILE 99.A N LEU 95.A O no hydrogen 3.113 N/A LYS 100.A N GLU 96.A O no hydrogen 3.071 N/A VAL 101.A N HIS 97.A O no hydrogen 3.007 N/A ALA 102.A N VAL 98.A O no hydrogen 2.796 N/A HIS 103.A N ILE 99.A O no hydrogen 3.011 N/A THR 104.A N LYS 100.A O no hydrogen 3.230 N/A THR 104.A N VAL 101.A O no hydrogen 3.099 N/A THR 104.A OG1 LYS 100.A O no hydrogen 2.943 N/A CYS 105.A N VAL 101.A O no hydrogen 3.196 N/A CYS 105.A SG ASP 41.A OD2 no hydrogen 2.977 N/A CYS 105.A SG VAL 101.A O no hydrogen 3.226 N/A LEU 106.A N ALA 102.A O no hydrogen 2.986 N/A HIS 107.A N HIS 103.A O no hydrogen 2.699 N/A ARG 116.A N ASP 114.A OD2 no hydrogen 3.143 N/A SER 117.A N ASP 114.A O no hydrogen 3.037 N/A SER 117.A OG ASP 114.A O no hydrogen 2.636 N/A TYR 120.A N SER 117.A OG no hydrogen 3.397 N/A LEU 121.A N SER 117.A O no hydrogen 3.420 N/A GLN 122.A N GLU 118.A O no hydrogen 3.338 N/A GLN 122.A N ALA 119.A O no hydrogen 3.157 N/A GLN 122.A NE2 ASP 126.A OD1 no hydrogen 3.182 N/A GLN 122.A NE2 ASP 126.A OD2 no hydrogen 3.060 N/A GLN 123.A N ALA 119.A O no hydrogen 3.212 N/A VAL 124.A N TYR 120.A O no hydrogen 3.157 N/A GLN 125.A N LEU 121.A O no hydrogen 3.491 N/A ASP 126.A N GLN 122.A O no hydrogen 3.055 N/A LEU 127.A N GLN 123.A O no hydrogen 3.013 N/A VAL 128.A N VAL 124.A O no hydrogen 2.900 N/A ILE 129.A N GLN 125.A O no hydrogen 2.713 N/A LEU 130.A N ASP 126.A O no hydrogen 3.016 N/A GLU 131.A N LEU 127.A O no hydrogen 2.966 N/A SER 132.A N VAL 128.A O no hydrogen 3.252 N/A ILE 133.A N ILE 129.A O no hydrogen 3.153 N/A ILE 134.A N LEU 130.A O no hydrogen 2.998 N/A LEU 135.A N GLU 131.A O no hydrogen 3.173 N/A GLN 136.A N SER 132.A O no hydrogen 3.146 N/A GLN 136.A NE2 SER 132.A O no hydrogen 3.113 N/A GLN 136.A NE2 SER 132.A OG no hydrogen 2.985 N/A THR 137.A N ILE 133.A O no hydrogen 2.828 N/A THR 137.A OG1 ILE 133.A O no hydrogen 2.698 N/A LEU 138.A N ILE 134.A O no hydrogen 2.970 N/A GLY 139.A N GLN 136.A O no hydrogen 3.177 N/A PHE 140.A N LEU 135.A O no hydrogen 2.727 N/A GLU 141.A N LEU 138.A O no hydrogen 3.355 N/A HIS 146.A NE2 THR 55.A OG1 no hydrogen 2.845 N/A HIS 148.A N HIS 148.A ND1 no hydrogen 2.852 N/A HIS 148.A NE2 THR 173.A OG1 no hydrogen 2.821 N/A THR 149.A N HIS 146.A O no hydrogen 3.077 N/A THR 149.A OG1 HIS 146.A O no hydrogen 3.434 N/A HIS 150.A N PRO 147.A O no hydrogen 2.764 N/A HIS 150.A NE2 ASP 145.A OD2 no hydrogen 2.831 N/A VAL 151.A N PRO 147.A O no hydrogen 2.795 N/A VAL 152.A N HIS 148.A O no hydrogen 3.093 N/A CYS 154.A N HIS 150.A O no hydrogen 3.139 N/A THR 155.A N VAL 151.A O no hydrogen 3.022 N/A THR 155.A OG1 VAL 151.A O no hydrogen 3.279 N/A THR 155.A OG1 VAL 152.A O no hydrogen 2.650 N/A GLN 156.A N VAL 152.A O no hydrogen 3.118 N/A GLN 156.A NE2 VAL 152.A O no hydrogen 3.495 N/A LEU 157.A N LYS 153.A O no hydrogen 3.221 N/A VAL 158.A N CYS 154.A O no hydrogen 2.876 N/A ARG 159.A N GLN 156.A O no hydrogen 3.359 N/A ALA 160.A N THR 155.A O no hydrogen 2.897 N/A SER 161.A OG ASP 163.A OD1 no hydrogen 2.555 N/A ALA 165.A N SER 161.A O no hydrogen 2.828 N/A GLN 166.A N LYS 162.A O no hydrogen 2.654 N/A THR 167.A N ASP 163.A O no hydrogen 3.228 N/A THR 167.A OG1 ASP 163.A O no hydrogen 2.819 N/A SER 168.A N LEU 164.A O no hydrogen 3.012 N/A SER 168.A OG LEU 164.A O no hydrogen 2.772 N/A TYR 169.A N ALA 165.A O no hydrogen 3.103 N/A PHE 170.A N GLN 166.A O no hydrogen 2.821 N/A MET 171.A N THR 167.A O no hydrogen 2.843 N/A ALA 172.A N SER 168.A O no hydrogen 3.215 N/A THR 173.A N PHE 170.A O no hydrogen 3.050 N/A THR 173.A OG1 HIS 148.A NE2 no hydrogen 2.821 N/A THR 173.A OG1 TYR 169.A O no hydrogen 3.411 N/A ASN 174.A N PHE 170.A O no hydrogen 3.227 N/A SER 175.A N MET 171.A O no hydrogen 3.134 N/A SER 175.A OG ALA 172.A O no hydrogen 2.656 N/A LEU 176.A N THR 173.A O no hydrogen 3.183 N/A HIS 177.A N ASN 174.A O no hydrogen 3.120 N/A HIS 177.A NE2 GLN 40.A OE1 no hydrogen 3.234 N/A LEU 178.A N ASN 174.A O no hydrogen 2.751 N/A THR 179.A OG1 SER 175.A O no hydrogen 2.504 N/A LEU 183.A N THR 180.A O no hydrogen 2.837 N/A GLN 184.A N PHE 181.A O no hydrogen 2.931 N/A TYR 185.A N PHE 181.A O no hydrogen 2.752 N/A VAL 190.A N THR 186.A O no hydrogen 2.998 N/A ALA 191.A N PRO 187.A O no hydrogen 2.798 N/A CYS 192.A N PRO 188.A O no hydrogen 3.282 N/A CYS 192.A SG PRO 188.A O no hydrogen 3.281 N/A VAL 193.A N VAL 189.A O no hydrogen 3.207 N/A CYS 194.A N VAL 190.A O no hydrogen 3.154 N/A CYS 194.A SG VAL 190.A O no hydrogen 3.138 N/A ILE 195.A N ALA 191.A O no hydrogen 3.138 N/A HIS 196.A N CYS 192.A O no hydrogen 2.791 N/A HIS 196.A NE2 ASP 229.A OD1 no hydrogen 3.156 N/A LEU 197.A N VAL 193.A O no hydrogen 2.790 N/A ALA 198.A N CYS 194.A O no hydrogen 2.778 N/A CYS 199.A N ILE 195.A O no hydrogen 2.832 N/A CYS 199.A SG ILE 195.A O no hydrogen 2.959 N/A LYS 200.A N HIS 196.A O no hydrogen 3.283 N/A SER 202.A N ALA 198.A O no hydrogen 2.746 N/A SER 202.A N CYS 199.A O no hydrogen 3.188 N/A SER 202.A OG ALA 198.A O no hydrogen 2.596 N/A SER 202.A OG CYS 199.A O no hydrogen 3.230 N/A TRP 204.A N SER 202.A OG no hydrogen 3.411 N/A SER 209.A N LYS 213.A O no hydrogen 2.981 N/A SER 209.A OG LYS 213.A O no hydrogen 2.634 N/A SER 209.A OG TYR 218.A OH no hydrogen 2.694 N/A THR 210.A OG1 ASP 211.A OD1 no hydrogen 3.013 N/A GLY 212.A N SER 209.A O no hydrogen 2.864 N/A LYS 213.A N SER 209.A OG no hydrogen 2.789 N/A HIS 214.A N GLU 217.A OE1 no hydrogen 2.686 N/A GLU 217.A N HIS 214.A O no hydrogen 3.283 N/A TYR 218.A N TRP 215.A O no hydrogen 2.915 N/A TYR 218.A OH SER 209.A OG no hydrogen 2.694 N/A VAL 219.A N TRP 216.A O no hydrogen 3.222 N/A ASP 220.A N TRP 216.A O no hydrogen 3.113 N/A THR 222.A N ASP 220.A OD1 no hydrogen 2.576 N/A THR 222.A OG1 ASP 220.A OD1 no hydrogen 2.498 N/A THR 224.A OG1 GLU 226.A OE1 no hydrogen 3.379 N/A LEU 227.A N THR 224.A O no hydrogen 2.883 N/A LEU 228.A N THR 224.A O no hydrogen 3.049 N/A ASP 229.A N LEU 225.A O no hydrogen 3.150 N/A GLU 230.A N GLU 226.A O no hydrogen 3.358 N/A LEU 231.A N LEU 227.A O no hydrogen 2.772 N/A THR 232.A N LEU 228.A O no hydrogen 2.682 N/A THR 232.A OG1 LEU 228.A O no hydrogen 2.712 N/A HIS 233.A N ASP 229.A O no hydrogen 3.039 N/A HIS 233.A N GLU 230.A O no hydrogen 3.244 N/A GLU 234.A N GLU 230.A O no hydrogen 3.304 N/A PHE 235.A N LEU 231.A O no hydrogen 2.937 N/A LEU 236.A N THR 232.A O no hydrogen 3.143 N/A GLN 237.A N HIS 233.A O no hydrogen 2.998 N/A ILE 238.A N GLU 234.A O no hydrogen 3.008 N/A ILE 238.A N PHE 235.A O no hydrogen 3.155 N/A LEU 239.A N PHE 235.A O no hydrogen 3.081 N/A GLU 240.A N LEU 236.A O no hydrogen 2.873 N/A LYS 241.A N ILE 238.A O no hydrogen 3.287 N/A LYS 241.A NZ ASP 26.A OD1 no hydrogen 3.525 N/A THR 242.A N LEU 239.A O no hydrogen 3.229 N/A THR 242.A OG1 LEU 239.A O no hydrogen 2.640 N/A ARG 248.A NE ARG 248.A O no hydrogen 3.233 N/A