Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mgd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 65.A OD1 no hydrogen 3.346 N/A SER 5.A N LEU 2.A O no hydrogen 3.149 N/A LEU 6.A N ALA 3.A O no hydrogen 3.320 N/A THR 7.A N GLN 10.A OE1 no hydrogen 3.098 N/A GLN 10.A N THR 7.A OG1 no hydrogen 3.192 N/A MET 11.A N THR 7.A O no hydrogen 2.804 N/A VAL 12.A N ALA 8.A O no hydrogen 3.065 N/A SER 13.A N ASP 9.A O no hydrogen 2.986 N/A SER 13.A OG.A ASP 9.A O no hydrogen 2.988 N/A ALA 14.A N GLN 10.A O no hydrogen 2.795 N/A LEU 15.A N MET 11.A O no hydrogen 2.986 N/A LEU 16.A N VAL 12.A O no hydrogen 2.891 N/A ASP 17.A N SER 13.A O no hydrogen 2.991 N/A ALA 18.A N ALA 14.A O no hydrogen 3.248 N/A ALA 18.A N LEU 15.A O no hydrogen 3.263 N/A GLU 19.A N LEU 16.A O no hydrogen 3.326 N/A SER 25.A N ASN 102.A OD1 no hydrogen 3.164 N/A SER 25.A OG ASN 102.A OD1 no hydrogen 3.065 N/A TYR 27.A N SER 25.A OG no hydrogen 3.262 N/A THR 30.A N ASP 28.A OD1 no hydrogen 2.878 N/A THR 30.A OG1 ASP 28.A OD1 no hydrogen 2.683 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 3.276 N/A ARG 31.A N ASP 28.A O no hydrogen 2.874 N/A SER 34.A N SER 37.A OG no hydrogen 2.817 N/A SER 34.A OG SER 37.A OG no hydrogen 3.308 N/A SER 37.A N SER 34.A OG no hydrogen 3.044 N/A SER 37.A OG SER 34.A O no hydrogen 3.324 N/A SER 37.A OG SER 34.A OG no hydrogen 3.308 N/A MET 38.A N SER 34.A O no hydrogen 3.056 N/A MET 39.A N GLU 35.A O no hydrogen 3.144 N/A GLY 40.A N ALA 36.A O no hydrogen 2.888 N/A LEU 41.A N SER 37.A O no hydrogen 2.877 N/A LEU 42.A N MET 38.A O no hydrogen 3.218 N/A THR 43.A N MET 39.A O no hydrogen 2.987 N/A THR 43.A OG1 MET 39.A O no hydrogen 2.785 N/A ASN 44.A N GLY 40.A O no hydrogen 2.956 N/A LEU 45.A N LEU 41.A O no hydrogen 2.984 N/A ALA 46.A N LEU 42.A O no hydrogen 2.860 N/A ASP 47.A N THR 43.A O no hydrogen 3.003 N/A ARG 48.A N ASN 44.A O no hydrogen 3.206 N/A ARG 48.A NE ASN 44.A OD1 no hydrogen 2.781 N/A ARG 48.A NH1 TYR 24.A O no hydrogen 3.013 N/A ARG 48.A NH1 ASN 44.A OD1 no hydrogen 2.683 N/A ARG 48.A NH2 TYR 24.A O no hydrogen 2.764 N/A GLU 49.A N LEU 45.A O no hydrogen 2.857 N/A LEU 50.A N ALA 46.A O no hydrogen 2.858 N/A MET 53.A N GLU 49.A O no hydrogen 2.803 N/A ILE 54.A N LEU 50.A O no hydrogen 2.965 N/A ASN 55.A N VAL 51.A O no hydrogen 3.370 N/A ASN 55.A ND2 VAL 51.A O no hydrogen 2.772 N/A TRP 56.A N HIS 52.A O no hydrogen 2.840 N/A ALA 57.A N MET 53.A O no hydrogen 2.789 N/A LYS 58.A N ILE 54.A O no hydrogen 3.440 N/A ARG 59.A N TRP 56.A O no hydrogen 2.882 N/A VAL 60.A N ALA 57.A O no hydrogen 2.986 N/A PHE 63.A N VAL 60.A O no hydrogen 2.991 N/A ASP 65.A N GLY 62.A O no hydrogen 2.944 N/A LEU 66.A N PHE 63.A O no hydrogen 3.313 N/A ASP 70.A N THR 67.A OG1 no hydrogen 3.152 N/A GLN 71.A N THR 67.A O no hydrogen 2.872 N/A GLN 71.A NE2 LEU 66.A O no hydrogen 2.936 N/A VAL 72.A N LEU 68.A O no hydrogen 2.885 N/A HIS 73.A N HIS 69.A O no hydrogen 3.101 N/A HIS 73.A NE2 GLY 150.A O no hydrogen 2.978 N/A HIS 73.A NE2 THR 153.A OG1 no hydrogen 2.968 N/A LEU 74.A N ASP 70.A O no hydrogen 3.031 N/A LEU 75.A N GLN 71.A O no hydrogen 3.124 N/A GLU 76.A N VAL 72.A O no hydrogen 2.941 N/A TRP 78.A N LEU 75.A O no hydrogen 2.973 N/A ILE 81.A N ALA 77.A O no hydrogen 2.962 N/A LEU 82.A N TRP 78.A O no hydrogen 2.973 N/A MET 83.A N LEU 79.A O no hydrogen 2.824 N/A ILE 84.A N GLU 80.A O no hydrogen 2.910 N/A GLY 85.A N ILE 81.A O no hydrogen 3.124 N/A LEU 86.A N LEU 82.A O no hydrogen 2.975 N/A VAL 87.A N MET 83.A O no hydrogen 2.870 N/A TRP 88.A N ILE 84.A O no hydrogen 2.903 N/A ARG 89.A N GLY 85.A O no hydrogen 2.990 N/A ARG 89.A NE LEU 98.A O no hydrogen 3.061 N/A ARG 89.A NH2 PHE 99.A O no hydrogen 3.005 N/A SER 90.A N LEU 86.A O no hydrogen 3.116 N/A SER 90.A N VAL 87.A O no hydrogen 3.171 N/A SER 90.A OG LEU 86.A O no hydrogen 2.619 N/A MET 91.A N TRP 88.A O no hydrogen 3.307 N/A HIS 93.A N SER 90.A O no hydrogen 2.839 N/A LYS 96.A N HIS 93.A O no hydrogen 2.897 N/A LYS 96.A NZ PRO 94.A O no hydrogen 3.529 N/A LEU 97.A N LEU 105.A O no hydrogen 2.780 N/A LEU 98.A N SER 90.A OG no hydrogen 2.839 N/A PHE 99.A N LEU 97.A O no hydrogen 3.103 N/A ALA 100.A N LEU 103.A O no hydrogen 3.266 N/A ASN 102.A ND2 SER 25.A O no hydrogen 3.059 N/A LEU 103.A N ALA 100.A O no hydrogen 2.781 N/A LEU 105.A N LEU 97.A O no hydrogen 3.034 N/A ASP 106.A N GLN 109.A OE1 no hydrogen 3.091 N/A ARG 107.A NE ASP 119.A OD2 no hydrogen 2.894 N/A ARG 107.A NH2 ASP 119.A OD1 no hydrogen 2.987 N/A GLN 109.A N ASP 106.A O no hydrogen 2.999 N/A GLY 110.A N ARG 107.A O no hydrogen 2.960 N/A PHE 118.A N MET 114.A O no hydrogen 2.880 N/A ASP 119.A N VAL 115.A O no hydrogen 3.104 N/A MET 120.A N GLU 116.A O no hydrogen 3.156 N/A LEU 121.A N ILE 117.A O no hydrogen 2.908 N/A LEU 122.A N PHE 118.A O no hydrogen 2.823 N/A ALA 123.A N ASP 119.A O no hydrogen 2.990 N/A THR 124.A N MET 120.A O no hydrogen 2.956 N/A THR 124.A OG1 MET 120.A O no hydrogen 2.787 N/A SER 125.A N LEU 121.A O no hydrogen 2.970 N/A SER 125.A OG.B LEU 121.A O no hydrogen 3.241 N/A SER 125.A OG.B LEU 122.A O no hydrogen 2.540 N/A SER 126.A N LEU 122.A O no hydrogen 2.914 N/A SER 126.A OG LEU 122.A O no hydrogen 2.837 N/A ARG 127.A N ALA 123.A O no hydrogen 2.865 N/A PHE 128.A N THR 124.A O no hydrogen 2.844 N/A ARG 129.A N SER 125.A O no hydrogen 2.895 N/A ARG 129.A NE MET 91.A O no hydrogen 2.733 N/A ARG 129.A NH2 MET 91.A O no hydrogen 2.993 N/A MET 130.A N SER 126.A O no hydrogen 2.842 N/A MET 131.A N ARG 127.A O no hydrogen 3.033 N/A ASN 132.A N ARG 129.A O no hydrogen 2.978 N/A LEU 133.A N PHE 128.A O no hydrogen 3.002 N/A GLN 134.A N GLU 137.A OE1 no hydrogen 2.960 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.694 N/A PHE 138.A N GLN 134.A O no hydrogen 2.911 N/A VAL 139.A N GLY 135.A O no hydrogen 3.117 N/A CYS 140.A SG GLU 136.A O no hydrogen 3.423 N/A LEU 141.A N GLU 137.A O no hydrogen 2.996 N/A LYS 142.A N PHE 138.A O no hydrogen 2.985 N/A LYS 142.A NZ GLU 19.A OE1 no hydrogen 2.638 N/A LYS 142.A NZ GLU 19.A OE2 no hydrogen 3.176 N/A SER 143.A N VAL 139.A O no hydrogen 3.210 N/A SER 143.A OG VAL 139.A O no hydrogen 3.562 N/A ILE 144.A N CYS 140.A O no hydrogen 2.909 N/A ILE 145.A N LEU 141.A O no hydrogen 3.053 N/A LEU 146.A N LYS 142.A O no hydrogen 3.257 N/A LEU 147.A N SER 143.A O no hydrogen 3.164 N/A ASN 148.A N ILE 144.A O no hydrogen 2.810 N/A SER 149.A N ILE 145.A O no hydrogen 3.073 N/A SER 149.A OG GLU 80.A OE1 no hydrogen 2.908 N/A SER 149.A OG ILE 145.A O no hydrogen 2.991 N/A VAL 151.A N ASN 148.A O no hydrogen 3.228 N/A THR 153.A N GLY 150.A O no hydrogen 3.126 N/A THR 153.A OG1 HIS 73.A NE2 no hydrogen 2.968 N/A THR 153.A OG1 GLY 150.A O no hydrogen 3.192 N/A SER 159.A N THR 156.A OG1 no hydrogen 2.828 N/A LEU 160.A N LEU 157.A O no hydrogen 3.261 N/A GLU 161.A N LYS 158.A O no hydrogen 2.767 N/A ASP 164.A N LEU 160.A O no hydrogen 3.018 N/A HIS 165.A N GLU 161.A O no hydrogen 3.040 N/A HIS 165.A NE2 ASP 65.A OD1 no hydrogen 3.172 N/A ILE 166.A N GLU 162.A O no hydrogen 3.483 N/A HIS 167.A N LYS 163.A O no hydrogen 3.320 N/A ARG 168.A N ASP 164.A O no hydrogen 3.302 N/A ARG 168.A NH1 ASP 164.A OD2 no hydrogen 2.713 N/A VAL 169.A N HIS 165.A O no hydrogen 3.108 N/A LEU 170.A N ILE 166.A O no hydrogen 2.848 N/A ASP 171.A N HIS 167.A O no hydrogen 2.993 N/A LYS 172.A N ARG 168.A O no hydrogen 3.155 N/A ILE 173.A N VAL 169.A O no hydrogen 3.006 N/A THR 174.A N LEU 170.A O no hydrogen 3.002 N/A THR 174.A OG1 LEU 170.A O no hydrogen 3.203 N/A ASP 175.A N ASP 171.A O no hydrogen 2.925 N/A THR 176.A N LYS 172.A O no hydrogen 2.961 N/A THR 176.A OG1 LYS 172.A O no hydrogen 2.924 N/A LEU 177.A N ILE 173.A O no hydrogen 2.934 N/A ILE 178.A N THR 174.A O no hydrogen 2.999 N/A HIS 179.A N ASP 175.A O no hydrogen 2.880 N/A HIS 179.A NE2 ASP 9.A OD1 no hydrogen 2.973 N/A LEU 180.A N THR 176.A O no hydrogen 2.961 N/A MET 181.A N LEU 177.A O no hydrogen 3.107 N/A ALA 182.A N ILE 178.A O no hydrogen 2.864 N/A LYS 183.A N HIS 179.A O no hydrogen 3.072 N/A ALA 184.A N LEU 180.A O no hydrogen 3.020 N/A GLY 185.A N ALA 182.A O no hydrogen 3.183 N/A LEU 186.A N MET 181.A O no hydrogen 3.236 N/A THR 187.A N GLN 190.A OE1 no hydrogen 2.766 N/A GLN 190.A N THR 187.A OG1 no hydrogen 3.114 N/A GLN 191.A N THR 187.A O no hydrogen 2.770 N/A GLN 191.A NE2 LEU 186.A O no hydrogen 3.037 N/A HIS 192.A N LEU 188.A O no hydrogen 3.151 N/A GLN 193.A N GLN 189.A O no hydrogen 3.005 N/A ARG 194.A N GLN 190.A O no hydrogen 2.937 N/A ARG 194.A NE GLU 137.A OE2 no hydrogen 2.994 N/A ARG 194.A NH1 MET 131.A O no hydrogen 2.930 N/A ARG 194.A NH2 MET 131.A O no hydrogen 3.033 N/A ARG 194.A NH2 ASN 132.A O no hydrogen 3.278 N/A ARG 194.A NH2 GLU 137.A OE1 no hydrogen 2.968 N/A LEU 195.A N GLN 191.A O no hydrogen 2.971 N/A ALA 196.A N HIS 192.A O no hydrogen 3.094 N/A GLN 197.A N GLN 193.A O no hydrogen 2.946 N/A LEU 198.A N ARG 194.A O no hydrogen 2.910 N/A LEU 199.A N LEU 195.A O no hydrogen 3.022 N/A LEU 200.A N ALA 196.A O no hydrogen 2.861 N/A ILE 201.A N GLN 197.A O no hydrogen 3.385 N/A LEU 202.A N LEU 199.A O no hydrogen 3.049 N/A SER 203.A N LEU 200.A O no hydrogen 3.158 N/A ILE 205.A N ILE 201.A O no hydrogen 2.961 N/A ARG 206.A N LEU 202.A O no hydrogen 3.004 N/A ARG 206.A NH1 SER 149.A O no hydrogen 3.100 N/A ARG 206.A NH2 SER 149.A O no hydrogen 3.055 N/A HIS 207.A N SER 203.A O no hydrogen 3.070 N/A MET 208.A N HIS 204.A O no hydrogen 2.959 N/A SER 209.A N ILE 205.A O no hydrogen 2.971 N/A ASN 210.A N ARG 206.A O no hydrogen 2.974 N/A LYS 211.A N HIS 207.A O no hydrogen 3.015 N/A GLY 212.A N MET 208.A O no hydrogen 2.822 N/A MET 213.A N SER 209.A O no hydrogen 2.799 N/A GLU 214.A N ASN 210.A O no hydrogen 3.271 N/A HIS 215.A N LYS 211.A O no hydrogen 3.118 N/A LEU 216.A N GLY 212.A O no hydrogen 2.863 N/A TYR 217.A N MET 213.A O no hydrogen 3.110 N/A SER 218.A N GLU 214.A O no hydrogen 3.056 N/A SER 218.A OG HIS 215.A O no hydrogen 2.678 N/A MET 219.A N HIS 215.A O no hydrogen 2.970 N/A LYS 220.A N LEU 216.A O no hydrogen 3.057 N/A CYS 221.A N TYR 217.A O no hydrogen 3.195 N/A CYS 221.A SG TYR 217.A O no hydrogen 3.361 N/A LYS 222.A N SER 218.A O no hydrogen 2.958 N/A ASN 223.A N MET 219.A O no hydrogen 3.020 N/A SER 228.A OG ASP 47.A OD2 no hydrogen 2.637 N/A LEU 231.A N SER 228.A OG no hydrogen 3.293 N/A LEU 232.A N SER 228.A O no hydrogen 2.942 N/A GLU 233.A N ASP 229.A O no hydrogen 3.093 N/A MET 234.A N LEU 230.A O no hydrogen 2.943 N/A LEU 235.A N LEU 231.A O no hydrogen 2.862 N/A ASP 236.A N LEU 232.A O no hydrogen 2.964 N/A ALA 237.A N GLU 233.A O no hydrogen 3.168 N/A ALA 237.A N MET 234.A O no hydrogen 3.184 N/A HIS 238.A N LEU 235.A O no hydrogen 3.015 N/A HIS 238.A NE2 GLU 76.A O no hydrogen 2.713 N/A ARG 239.A N ASP 236.A O no hydrogen 3.002 N/A