Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mpf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N LYS 57.A O no hydrogen 2.938 N/A LEU 4.A N GLU 28.A O no hydrogen 2.738 N/A PHE 5.A N THR 55.A O no hydrogen 2.782 N/A LEU 6.A N ARG 30.A O no hydrogen 3.067 N/A ASP 7.A N SER 13.A OG no hydrogen 3.287 N/A VAL 9.A N ASP 7.A OD1 no hydrogen 3.070 N/A SER 10.A N ASP 7.A O no hydrogen 2.884 N/A GLN 11.A N GLN 11.A OE1 no hydrogen 2.581 N/A ARG 14.A N SER 10.A O no hydrogen 3.007 N/A ARG 14.A NE GLU 170.A OE2 no hydrogen 2.670 N/A ARG 14.A NH1 LEU 8.A O no hydrogen 3.009 N/A ARG 14.A NH1 GLN 174.A OE1 no hydrogen 2.947 N/A ARG 14.A NH2 GLU 170.A O no hydrogen 2.700 N/A ARG 14.A NH2 GLN 174.A OE1 no hydrogen 2.801 N/A ALA 15.A N GLN 11.A O no hydrogen 3.051 N/A VAL 16.A N PRO 12.A O no hydrogen 3.158 N/A TYR 17.A N SER 13.A O no hydrogen 3.007 N/A TYR 17.A OH GLU 207.A OE1 no hydrogen 3.285 N/A ILE 18.A N ARG 14.A O no hydrogen 2.850 N/A PHE 19.A N ALA 15.A O no hydrogen 3.081 N/A ALA 20.A N VAL 16.A O no hydrogen 3.013 N/A LYS 21.A N TYR 17.A O no hydrogen 2.982 N/A LYS 22.A N ILE 18.A O no hydrogen 2.815 N/A LYS 22.A NZ PHE 199.A O no hydrogen 2.856 N/A ASN 23.A N PHE 19.A O no hydrogen 3.108 N/A ASN 23.A ND2 PHE 19.A O no hydrogen 2.810 N/A GLY 24.A N LYS 21.A O no hydrogen 3.178 N/A ILE 25.A N ALA 20.A O no hydrogen 2.908 N/A GLU 28.A N LEU 2.A O no hydrogen 2.836 N/A ARG 30.A N LEU 4.A O no hydrogen 2.676 N/A VAL 32.A N LEU 6.A O no hydrogen 2.902 N/A ASP 33.A N GLN 38.A OE1 no hydrogen 2.879 N/A LEU 34.A N ASP 7.A OD2 no hydrogen 2.812 N/A LYS 36.A N ASP 33.A OD1 no hydrogen 3.161 N/A GLY 37.A N ASP 33.A O no hydrogen 3.092 N/A GLN 38.A N ASP 33.A O no hydrogen 2.979 N/A HIS 39.A NE2 LEU 34.A O no hydrogen 3.113 N/A LYS 40.A N GLY 37.A O no hydrogen 2.919 N/A LYS 40.A NZ LEU 50.A O no hydrogen 3.530 N/A LYS 40.A NZ GLY 51.A O no hydrogen 3.167 N/A SER 41.A N GLN 38.A O no hydrogen 3.207 N/A SER 41.A OG GLN 38.A O no hydrogen 2.686 N/A LEU 45.A N SER 41.A O no hydrogen 2.878 N/A GLN 46.A N LYS 42.A O no hydrogen 2.999 N/A ILE 47.A N PHE 44.A O no hydrogen 2.761 N/A ASN 48.A N PHE 44.A O no hydrogen 2.847 N/A ASN 48.A ND2 LYS 52.A O no hydrogen 2.905 N/A ASN 48.A ND2 THR 55.A OG1 no hydrogen 3.120 N/A LEU 50.A N ASN 48.A OD1 no hydrogen 3.040 N/A GLY 51.A N ASN 48.A O no hydrogen 2.760 N/A THR 55.A N PHE 5.A O no hydrogen 2.930 N/A THR 55.A OG1 LYS 52.A O no hydrogen 2.674 N/A LEU 56.A N LEU 63.A O no hydrogen 2.821 N/A LYS 57.A N GLU 3.A O no hydrogen 2.917 N/A LYS 57.A NZ GLY 59.A O no hydrogen 2.593 N/A ASP 58.A N PHE 61.A O no hydrogen 2.707 N/A PHE 61.A N ASP 58.A O no hydrogen 2.958 N/A LEU 63.A N LEU 56.A O no hydrogen 2.777 N/A ILE 69.A N GLU 65.A O no hydrogen 2.847 N/A LEU 70.A N SER 66.A O no hydrogen 2.755 N/A ILE 71.A N SER 67.A O no hydrogen 3.089 N/A TYR 72.A N ALA 68.A O no hydrogen 2.966 N/A TYR 72.A OH ASP 58.A OD2 no hydrogen 2.853 N/A LEU 73.A N ILE 69.A O no hydrogen 2.904 N/A SER 74.A N LEU 70.A O no hydrogen 2.981 N/A SER 74.A OG ILE 71.A O no hydrogen 2.702 N/A CYS 75.A N ILE 71.A O no hydrogen 3.107 N/A CYS 75.A SG ILE 71.A O no hydrogen 3.332 N/A LYS 76.A N TYR 72.A O no hydrogen 2.872 N/A LYS 76.A NZ ASP 58.A OD2 no hydrogen 2.847 N/A TYR 77.A N LEU 73.A O no hydrogen 2.923 N/A THR 79.A N SER 74.A O no hydrogen 3.201 N/A THR 79.A OG1 SER 74.A O no hydrogen 3.490 N/A HIS 82.A ND1 VAL 161.A O no hydrogen 2.824 N/A TRP 83.A N PRO 80.A O no hydrogen 3.147 N/A TYR 84.A N ASP 81.A O no hydrogen 3.007 N/A TYR 84.A OH HIS 95.A NE2 no hydrogen 2.757 N/A SER 86.A N ASP 81.A OD1 no hydrogen 3.046 N/A SER 86.A OG ASP 81.A OD1 no hydrogen 3.183 N/A ALA 90.A N ASP 87.A OD2 no hydrogen 3.045 N/A ARG 91.A N ASP 87.A O no hydrogen 2.753 N/A ARG 91.A NE PRO 85.A O no hydrogen 2.738 N/A ARG 91.A NH2 TYR 84.A O no hydrogen 3.009 N/A ARG 91.A NH2 PRO 85.A O no hydrogen 3.399 N/A ALA 92.A N LEU 88.A O no hydrogen 3.072 N/A ARG 93.A N GLN 89.A O no hydrogen 3.044 N/A ARG 93.A NH2 GLU 96.A OE1 no hydrogen 2.925 N/A VAL 94.A N ALA 90.A O no hydrogen 3.316 N/A HIS 95.A N ARG 91.A O no hydrogen 2.990 N/A HIS 95.A NE2 TYR 84.A OH no hydrogen 2.757 N/A GLU 96.A N ALA 92.A O no hydrogen 2.782 N/A TYR 97.A N ARG 93.A O no hydrogen 3.069 N/A TYR 97.A OH HIS 101.A ND1 no hydrogen 2.906 N/A LEU 98.A N VAL 94.A O no hydrogen 2.980 N/A GLY 99.A N HIS 95.A O no hydrogen 2.961 N/A TRP 100.A N GLU 96.A O no hydrogen 3.077 N/A HIS 101.A N TYR 97.A O no hydrogen 2.694 N/A HIS 101.A ND1 TYR 97.A OH no hydrogen 2.906 N/A ALA 102.A N LEU 98.A O no hydrogen 3.058 N/A ASP 103.A N GLY 99.A O no hydrogen 3.376 N/A ASP 103.A N TRP 100.A O no hydrogen 3.139 N/A CYS 104.A N TRP 100.A O no hydrogen 2.801 N/A CYS 104.A SG ASP 103.A OD2 no hydrogen 3.820 N/A ILE 105.A N HIS 101.A O no hydrogen 2.835 N/A ARG 106.A N HIS 101.A O no hydrogen 2.910 N/A ARG 106.A NH1 GLN 11.A OE1 no hydrogen 3.255 N/A THR 108.A N ILE 105.A O no hydrogen 2.967 N/A PHE 109.A N ILE 105.A O no hydrogen 3.037 N/A ILE 111.A N THR 108.A O no hydrogen 3.409 N/A LEU 113.A N GLY 110.A O no hydrogen 3.109 N/A VAL 115.A N ILE 111.A O no hydrogen 2.963 N/A GLN 116.A N PRO 112.A O no hydrogen 2.907 N/A GLN 116.A NE2 LEU 178.A O no hydrogen 3.028 N/A VAL 117.A N LEU 113.A O no hydrogen 2.916 N/A LEU 118.A N LEU 113.A O no hydrogen 2.906 N/A GLY 119.A N TRP 114.A O no hydrogen 2.886 N/A LEU 121.A N VAL 117.A O no hydrogen 2.967 N/A ILE 122.A N GLY 119.A O no hydrogen 2.895 N/A GLY 123.A N PRO 120.A O no hydrogen 3.071 N/A VAL 124.A N GLY 119.A O no hydrogen 2.938 N/A LYS 130.A N PRO 127.A O no hydrogen 3.007 N/A LYS 130.A NZ ILE 242.A O no hydrogen 2.687 N/A VAL 131.A N PRO 127.A O no hydrogen 3.213 N/A GLU 132.A N LYS 128.A O no hydrogen 2.899 N/A ARG 133.A N GLU 129.A O no hydrogen 3.029 N/A ARG 133.A NH1 PRO 243.A OXT no hydrogen 2.899 N/A ARG 133.A NH2 GLU 129.A OE1 no hydrogen 3.002 N/A ASN 134.A N LYS 130.A O no hydrogen 2.848 N/A ASN 134.A ND2 THR 108.A O no hydrogen 2.824 N/A ARG 135.A N VAL 131.A O no hydrogen 2.991 N/A ARG 135.A NE.B ASP 139.A OD1 no hydrogen 3.411 N/A ARG 135.A NE.B ASP 139.A OD2 no hydrogen 3.345 N/A ARG 135.A NH2.A GLU 132.A OE2.A no hydrogen 2.363 N/A THR 136.A N GLU 132.A O no hydrogen 3.092 N/A THR 136.A OG1 GLU 132.A O no hydrogen 3.076 N/A ALA 137.A N ARG 133.A O no hydrogen 2.949 N/A MET 138.A N ASN 134.A O no hydrogen 2.834 N/A ASP 139.A N ARG 135.A O no hydrogen 3.037 N/A GLN 140.A N THR 136.A O no hydrogen 2.931 N/A ALA 141.A N ALA 137.A O no hydrogen 2.926 N/A LEU 142.A N MET 138.A O no hydrogen 2.824 N/A GLN 143.A N ASP 139.A O no hydrogen 3.067 N/A GLN 143.A NE2 ASP 147.A OD1 no hydrogen 3.389 N/A GLN 143.A NE2 ASP 147.A OD2 no hydrogen 3.007 N/A TRP 144.A N GLN 140.A O no hydrogen 3.147 N/A LEU 145.A N ALA 141.A O no hydrogen 3.009 N/A GLU 146.A N LEU 142.A O no hydrogen 2.982 N/A ASP 147.A N GLN 143.A O no hydrogen 2.879 N/A LYS 148.A N TRP 144.A O no hydrogen 2.805 N/A PHE 149.A N TRP 144.A O no hydrogen 3.247 N/A LEU 150.A N LEU 145.A O no hydrogen 2.900 N/A GLY 151.A N GLU 146.A O no hydrogen 2.901 N/A ARG 153.A N LEU 150.A O no hydrogen 2.864 N/A ARG 153.A NH1 PHE 149.A O no hydrogen 3.141 N/A PHE 155.A N GLY 158.A O no hydrogen 3.236 N/A LEU 156.A N ASP 165.A OD1 no hydrogen 2.868 N/A THR 162.A N ASP 165.A OD2 no hydrogen 2.849 N/A LEU 163.A N TRP 83.A O no hydrogen 3.085 N/A ALA 164.A N THR 162.A OG1 no hydrogen 3.187 N/A ASP 165.A N THR 162.A O no hydrogen 3.025 N/A MET 167.A N LEU 163.A O no hydrogen 3.208 N/A ALA 168.A N ALA 164.A O no hydrogen 3.102 N/A LEU 169.A N ASP 165.A O no hydrogen 2.905 N/A GLU 170.A N LEU 166.A O no hydrogen 3.134 N/A GLU 171.A N MET 167.A O no hydrogen 3.059 N/A LEU 172.A N ALA 168.A O no hydrogen 2.922 N/A MET 173.A N LEU 169.A O no hydrogen 2.875 N/A GLN 174.A N GLU 171.A O no hydrogen 3.225 N/A GLN 174.A NE2 VAL 9.A O no hydrogen 3.058 N/A VAL 176.A N LEU 172.A O no hydrogen 3.490 N/A ALA 177.A N MET 173.A O no hydrogen 2.816 N/A LEU 178.A N PRO 175.A O no hydrogen 2.873 N/A GLY 179.A N VAL 176.A O no hydrogen 2.942 N/A TYR 180.A N PRO 175.A O no hydrogen 2.996 N/A LEU 182.A N TYR 180.A O no hydrogen 2.953 N/A GLU 184.A N GLU 181.A O no hydrogen 3.263 N/A ARG 186.A N.B PHE 183.A O no hydrogen 3.368 N/A ARG 186.A NH1.A GLN 143.A OE1 no hydrogen 2.866 N/A ARG 186.A NH1.A GLU 146.A OE1 no hydrogen 2.757 N/A ARG 186.A NH2.A GLN 143.A OE1 no hydrogen 3.529 N/A ARG 186.A NH2.B LEU 182.A O no hydrogen 2.763 N/A ARG 188.A NH2 GLU 146.A O no hydrogen 3.144 N/A LEU 189.A N GLU 146.A OE2 no hydrogen 3.170 N/A ALA 190.A N ARG 186.A O.A no hydrogen 2.969 N/A ALA 190.A N ARG 186.A O.B no hydrogen 2.798 N/A ALA 191.A N PRO 187.A O.A no hydrogen 2.794 N/A ALA 191.A N PRO 187.A O.B no hydrogen 2.883 N/A TRP 192.A N ARG 188.A O no hydrogen 2.997 N/A TRP 192.A NE1 ASP 165.A OD1 no hydrogen 2.774 N/A ARG 193.A N LEU 189.A O no hydrogen 2.969 N/A ARG 193.A NE GLU 197.A OE2 no hydrogen 3.438 N/A GLY 194.A N ALA 190.A O no hydrogen 3.037 N/A ARG 195.A N ALA 191.A O no hydrogen 2.879 N/A ARG 195.A NH1 PRO 154.A O no hydrogen 2.809 N/A VAL 196.A N TRP 192.A O no hydrogen 2.913 N/A GLU 197.A N ARG 193.A O no hydrogen 2.820 N/A ALA 198.A N GLY 194.A O no hydrogen 2.913 N/A PHE 199.A N ARG 195.A O no hydrogen 3.165 N/A LEU 200.A N VAL 196.A O no hydrogen 3.004 N/A GLY 201.A N GLU 197.A O no hydrogen 2.944 N/A CYS 205.A N GLY 201.A O no hydrogen 3.175 N/A CYS 205.A SG GLU 197.A O no hydrogen 3.942 N/A CYS 205.A SG GLY 201.A O no hydrogen 3.377 N/A GLN 206.A N ALA 202.A O no hydrogen 2.939 N/A GLU 207.A N GLU 203.A O no hydrogen 2.916 N/A ALA 208.A N LEU 204.A O no hydrogen 2.863 N/A HIS 209.A N CYS 205.A O no hydrogen 2.919 N/A HIS 209.A NE2 GLU 170.A OE1 no hydrogen 2.731 N/A SER 210.A OG.B GLU 207.A O no hydrogen 3.378 N/A LEU 213.A N HIS 209.A O no hydrogen 2.842 N/A SER 214.A N ILE 211.A O no hydrogen 3.056 N/A SER 214.A OG SER 210.A O no hydrogen 3.354 N/A SER 214.A OG ILE 211.A O no hydrogen 3.101 N/A ILE 215.A N ILE 212.A O no hydrogen 3.318 N/A GLN 218.A N SER 214.A O no hydrogen 3.138 N/A ALA 219.A N ILE 215.A O no hydrogen 2.951 N/A ALA 220.A N LEU 216.A O no hydrogen 2.848 N/A LYS 221.A N GLU 217.A O no hydrogen 2.868 N/A LYS 221.A NZ GLU 217.A OE1 no hydrogen 2.864 N/A LYS 222.A N ALA 219.A O no hydrogen 3.095 N/A THR 223.A N GLN 218.A O no hydrogen 2.994 N/A THR 223.A OG1 GLN 218.A O no hydrogen 3.455 N/A SER 228.A N LYS 36.A O no hydrogen 2.991 N/A SER 228.A OG LYS 36.A O no hydrogen 3.402 N/A SER 228.A OG GLU 230.A OE1 no hydrogen 3.382 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.830 N/A ALA 231.A N SER 228.A OG no hydrogen 3.063 N/A TYR 232.A N SER 228.A O no hydrogen 2.852 N/A GLN 233.A N PRO 229.A O no hydrogen 2.911 N/A ALA 234.A N GLU 230.A O no hydrogen 3.140 N/A MET 235.A N ALA 231.A O no hydrogen 2.791 N/A LEU 236.A N TYR 232.A O no hydrogen 2.971 N/A LEU 237.A N GLN 233.A O no hydrogen 3.178 N/A ARG 238.A N ALA 234.A O no hydrogen 2.923 N/A ARG 238.A NH1 GLY 107.A O no hydrogen 3.034 N/A ARG 238.A NH2 ARG 238.A O no hydrogen 2.904 N/A ILE 239.A N MET 235.A O no hydrogen 2.852 N/A ALA 240.A N LEU 236.A O no hydrogen 2.976 N/A ARG 241.A N LEU 237.A O no hydrogen 3.210 N/A ARG 241.A N ARG 238.A O no hydrogen 3.080 N/A ILE 242.A N ILE 239.A O no hydrogen 3.074 N/A