Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5r0r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N PRO 126.A O no hydrogen 3.017 N/A ASN 4.A N ASN 7.A OD1 no hydrogen 2.886 N/A ASN 4.A ND2 GLU 128.A OE1.A no hydrogen 3.269 N/A SER 6.A N ASN 4.A OD1 no hydrogen 3.086 N/A ASN 7.A ND2 ALA 2.A O no hydrogen 3.455 N/A GLU 10.A N ASN 7.A O no hydrogen 3.164 N/A LEU 11.A N TYR 8.A O no hydrogen 3.262 N/A PHE 12.A N ALA 9.A O no hydrogen 3.143 N/A ASN 13.A N GLU 10.A O no hydrogen 3.404 N/A ASP 15.A N ASN 13.A OD1 no hydrogen 3.002 N/A LYS 17.A NZ GLU 10.A O no hydrogen 3.028 N/A LYS 17.A NZ ASP 15.A O no hydrogen 2.847 N/A LEU 18.A N GLN 100.A O no hydrogen 3.178 N/A PHE 19.A N LEU 50.A O no hydrogen 2.888 N/A VAL 20.A N ILE 102.A O no hydrogen 2.865 N/A ASP 21.A N PHE 48.A O no hydrogen 2.858 N/A THR 23.A N.A ASP 21.A OD1 no hydrogen 3.215 N/A THR 23.A N.B ASP 21.A OD1 no hydrogen 3.201 N/A THR 23.A OG1.A ASP 21.A OD1 no hydrogen 3.407 N/A THR 23.A OG1.A ASP 21.A OD2 no hydrogen 3.456 N/A THR 23.A OG1.B ASP 21.A OD1 no hydrogen 2.743 N/A ASN 24.A ND2 SER 134.A O no hydrogen 2.909 N/A VAL 25.A N ASP 22.A O no hydrogen 3.240 N/A ARG 27.A NE ASN 44.A O no hydrogen 2.824 N/A ARG 27.A NH1 ASN 44.A O no hydrogen 2.760 N/A THR 29.A N LYS 41.A O no hydrogen 2.918 N/A THR 29.A OG1 LYS 41.A O no hydrogen 3.332 N/A HIS 31.A N ALA 39.A O no hydrogen 2.846 N/A THR 33.A N ASN 37.A O no hydrogen 2.587 N/A THR 33.A OG1 ASN 37.A O no hydrogen 3.559 N/A GLY 36.A N THR 33.A O no hydrogen 2.697 N/A ASN 37.A N THR 33.A OG1 no hydrogen 3.136 N/A ALA 39.A N HIS 31.A O no hydrogen 2.877 N/A LYS 41.A N THR 29.A O no hydrogen 2.901 N/A LYS 41.A NZ ALA 42.A O no hydrogen 3.197 N/A ILE 43.A N ARG 27.A O no hydrogen 2.987 N/A ASN 44.A ND2 VAL 146.A O no hydrogen 2.912 N/A ASN 44.A ND2 ALA 149.A O no hydrogen 2.996 N/A GLY 45.A N ILE 62.A O no hydrogen 2.749 N/A CYS 46.A N ASN 24.A O no hydrogen 2.832 N/A ILE 47.A N LYS 60.A O no hydrogen 2.881 N/A PHE 48.A N ASP 21.A O no hydrogen 3.131 N/A LEU 50.A N PHE 19.A O no hydrogen 2.906 N/A ASN 51.A N HIS 56.A O no hydrogen 2.845 N/A LYS 53.A N ASN 51.A OD1 no hydrogen 2.891 N/A LYS 53.A NZ PHE 12.A O no hydrogen 2.614 N/A THR 54.A N ASN 51.A OD1 no hydrogen 3.290 N/A GLY 55.A N ASN 51.A O no hydrogen 2.858 N/A HIS 56.A N THR 54.A OG1 no hydrogen 3.340 N/A LEU 57.A N PHE 157.A O no hydrogen 2.827 N/A PHE 58.A N THR 49.A O no hydrogen 2.829 N/A LEU 59.A N VAL 155.A O no hydrogen 2.977 N/A LYS 60.A N ILE 47.A O no hydrogen 3.224 N/A LYS 60.A NZ GLU 84.A OE1 no hydrogen 3.222 N/A ILE 61.A N GLN 153.A O no hydrogen 2.722 N/A ILE 62.A N GLY 45.A O no hydrogen 2.784 N/A HIS 63.A ND1 SER 65.A OG no hydrogen 2.707 N/A THR 64.A N ASN 44.A OD1 no hydrogen 3.195 N/A SER 65.A N HIS 63.A ND1 no hydrogen 3.107 N/A SER 65.A OG HIS 63.A ND1 no hydrogen 2.707 N/A VAL 66.A N.A HIS 63.A O no hydrogen 3.043 N/A VAL 66.A N.B HIS 63.A O no hydrogen 3.022 N/A TRP 67.A N THR 64.A O no hydrogen 3.072 N/A ALA 68.A N SER 65.A O no hydrogen 3.054 N/A GLN 70.A N TRP 67.A O no hydrogen 3.047 N/A GLN 70.A NE2 ALA 68.A O no hydrogen 3.065 N/A ARG 72.A NE GLN 75.A OE1 no hydrogen 3.537 N/A LEU 76.A N ARG 72.A O no hydrogen 2.839 N/A ALA 77.A N LEU 73.A O no hydrogen 2.746 N/A LYS 78.A N GLN 75.A O no hydrogen 3.131 N/A LYS 80.A N LEU 76.A O no hydrogen 2.801 N/A LYS 80.A NZ GLU 84.A OE2 no hydrogen 2.818 N/A THR 81.A N ALA 77.A O no hydrogen 2.926 N/A THR 81.A OG1 ALA 77.A O no hydrogen 2.808 N/A ALA 82.A N LYS 78.A O no hydrogen 3.025 N/A GLU 83.A N TRP 79.A O no hydrogen 2.752 N/A GLU 84.A N LYS 80.A O no hydrogen 2.862 N/A VAL 85.A N THR 81.A O no hydrogen 2.850 N/A SER 86.A N.A ALA 82.A O no hydrogen 2.958 N/A SER 86.A N.B ALA 82.A O no hydrogen 2.950 N/A SER 86.A OG.A ALA 82.A O no hydrogen 2.942 N/A SER 86.A OG.A GLU 83.A O no hydrogen 2.742 N/A SER 86.A OG.B HIS 115.A O no hydrogen 3.112 N/A ALA 87.A N GLU 83.A O no hydrogen 2.941 N/A LEU 88.A N GLU 84.A O no hydrogen 2.849 N/A VAL 89.A N VAL 85.A O no hydrogen 2.976 N/A ARG 90.A N SER 86.A O.A no hydrogen 2.963 N/A ARG 90.A N SER 86.A O.B no hydrogen 2.994 N/A ARG 90.A NH1 ASP 118.A OD2 no hydrogen 2.764 N/A ARG 90.A NH2 SER 86.A OG.B no hydrogen 2.723 N/A SER 91.A N ALA 87.A O no hydrogen 2.922 N/A SER 91.A OG LEU 88.A O no hydrogen 2.725 N/A LEU 92.A N VAL 89.A O no hydrogen 2.989 N/A GLU 95.A N GLU 95.A OE2 no hydrogen 2.616 N/A GLU 96.A N PRO 93.A O no hydrogen 2.835 N/A GLN 97.A N PRO 93.A O no hydrogen 3.094 N/A GLN 97.A N LYS 94.A O no hydrogen 3.116 N/A GLN 97.A NE2 VAL 89.A O no hydrogen 3.010 N/A GLN 97.A NE2 LEU 92.A O no hydrogen 3.194 N/A LYS 99.A N.A ILE 16.A O no hydrogen 2.793 N/A LYS 99.A N.B ILE 16.A O no hydrogen 2.802 N/A GLN 100.A NE2 GLU 10.A OE2 no hydrogen 3.206 N/A ILE 101.A N ALA 123.A O no hydrogen 2.856 N/A ILE 102.A N LEU 18.A O no hydrogen 2.809 N/A VAL 103.A N ARG 125.A O no hydrogen 2.931 N/A THR 104.A N VAL 20.A O no hydrogen 2.946 N/A THR 104.A OG1 VAL 20.A O no hydrogen 3.384 N/A THR 104.A OG1 ASP 21.A OD2 no hydrogen 2.587 N/A ARG 105.A NE ASP 22.A OD1 no hydrogen 2.771 N/A ARG 105.A NH2 ASP 22.A OD2 no hydrogen 2.748 N/A MET 108.A N ARG 105.A O no hydrogen 3.049 N/A LEU 109.A N LYS 106.A O no hydrogen 3.020 N/A LEU 112.A N MET 108.A O no hydrogen 3.046 N/A GLU 113.A N LEU 109.A O no hydrogen 2.757 N/A VAL 114.A N ASP 110.A O no hydrogen 2.916 N/A HIS 115.A N PRO 111.A O no hydrogen 3.004 N/A MET 116.A N LEU 112.A O no hydrogen 2.758 N/A MET 116.A N GLU 113.A O no hydrogen 3.172 N/A LEU 117.A N VAL 114.A O no hydrogen 3.302 N/A PHE 119.A N MET 116.A O no hydrogen 2.624 N/A ILE 122.A N PHE 119.A O no hydrogen 3.062 N/A ALA 123.A N LYS 99.A O.A no hydrogen 3.073 N/A ALA 123.A N LYS 99.A O.B no hydrogen 3.004 N/A ARG 125.A N ILE 101.A O no hydrogen 2.869 N/A ARG 125.A NE GLY 1.A O no hydrogen 2.739 N/A ARG 125.A NH1 GLN 100.A OE1 no hydrogen 2.834 N/A ARG 125.A NH2 GLY 1.A O no hydrogen 3.226 N/A THR 127.A OG1 MET 3.A O no hydrogen 3.089 N/A GLU 128.A N.A MET 3.A O no hydrogen 2.690 N/A GLU 128.A N.B MET 3.A O no hydrogen 2.702 N/A LEU 129.A N THR 127.A OG1 no hydrogen 3.220 N/A ALA 135.A N PRO 132.A O no hydrogen 3.052 N/A ALA 136.A N PHE 133.A O no hydrogen 3.059 N/A SER 138.A N ALA 135.A O no hydrogen 2.844 N/A SER 138.A OG GLU 187.A OE1 no hydrogen 2.964 N/A ILE 139.A N ALA 136.A O no hydrogen 3.082 N/A LYS 141.A NZ LYS 203.A O no hydrogen 2.940 N/A LYS 141.A NZ SER 204.A O no hydrogen 3.004 N/A LYS 141.A NZ HIS 206.A O no hydrogen 2.729 N/A SER 143.A N ILE 139.A O no hydrogen 2.981 N/A ASP 144.A N ASP 140.A O no hydrogen 2.887 N/A VAL 145.A N LYS 141.A O no hydrogen 3.286 N/A VAL 146.A N LEU 142.A O no hydrogen 3.105 N/A MET 147.A N.A SER 143.A O no hydrogen 2.908 N/A MET 147.A N.C SER 143.A O no hydrogen 2.942 N/A LYS 148.A N ASP 144.A O no hydrogen 3.051 N/A ALA 149.A N VAL 146.A O no hydrogen 3.201 N/A VAL 155.A N LEU 59.A O no hydrogen 2.943 N/A PHE 157.A N LEU 57.A O no hydrogen 3.132 N/A ASN 158.A ND2 THR 54.A O no hydrogen 3.172 N/A ILE 159.A N GLY 55.A O no hydrogen 2.820 N/A TYR 160.A N ASN 158.A OD1 no hydrogen 2.725 N/A TYR 160.A OH PRO 52.A O no hydrogen 2.717 N/A ASP 161.A N ASN 158.A O no hydrogen 3.098 N/A TRP 163.A N TYR 160.A O no hydrogen 2.879 N/A ASP 165.A N ASP 162.A O no hydrogen 2.991 N/A ARG 166.A N TRP 163.A O no hydrogen 2.905 N/A ARG 166.A NE ASP 213.A OD1 no hydrogen 2.818 N/A ARG 166.A NE ASP 213.A OD2 no hydrogen 3.246 N/A ARG 166.A NH1 ASP 213.A OD2 no hydrogen 2.858 N/A ILE 167.A N TRP 163.A O no hydrogen 2.925 N/A SER 168.A OG THR 171.A OG1 no hydrogen 3.239 N/A SER 169.A OG.A LYS 53.A O no hydrogen 2.691 N/A THR 171.A N SER 168.A OG no hydrogen 3.364 N/A THR 171.A OG1 SER 168.A OG no hydrogen 3.239 N/A ALA 172.A N SER 168.A O no hydrogen 2.787 N/A PHE 173.A N SER 169.A O.A no hydrogen 2.778 N/A PHE 173.A N SER 169.A O.B no hydrogen 2.851 N/A SER 174.A N TYR 170.A O no hydrogen 3.052 N/A SER 174.A OG TYR 170.A O no hydrogen 2.826 N/A ARG 175.A N THR 171.A O no hydrogen 2.847 N/A ARG 175.A NE GLU 220.A OE1 no hydrogen 3.026 N/A LEU 176.A N ALA 172.A O no hydrogen 2.921 N/A THR 177.A N PHE 173.A O no hydrogen 2.933 N/A THR 177.A OG1 PHE 173.A O no hydrogen 3.096 N/A THR 177.A OG1 SER 174.A O no hydrogen 3.276 N/A LEU 178.A N SER 174.A O no hydrogen 3.042 N/A LEU 179.A N ARG 175.A O no hydrogen 2.949 N/A LEU 180.A N LEU 176.A O no hydrogen 2.845 N/A ARG 181.A N THR 177.A O no hydrogen 2.823 N/A ALA 182.A N LEU 178.A O no hydrogen 3.064 N/A LEU 183.A N LEU 179.A O no hydrogen 2.972 N/A LYS 184.A N LEU 180.A O no hydrogen 2.856 N/A LYS 184.A NZ SER 134.A OG no hydrogen 3.117 N/A THR 185.A N.A ARG 181.A O no hydrogen 3.052 N/A THR 185.A N.B ARG 181.A O no hydrogen 3.059 N/A THR 185.A OG1.A ARG 181.A O no hydrogen 3.252 N/A THR 185.A OG1.A ALA 182.A O no hydrogen 3.242 N/A THR 185.A OG1.B ARG 181.A O no hydrogen 2.634 N/A ASN 186.A N ALA 182.A O no hydrogen 3.071 N/A ASN 186.A ND2 GLU 230.A OE1 no hydrogen 2.897 N/A SER 189.A N ASN 186.A OD1 no hydrogen 3.155 N/A ALA 190.A N ASN 186.A O no hydrogen 3.005 N/A LYS 191.A N GLU 187.A O no hydrogen 2.901 N/A LYS 191.A NZ ASP 140.A OD1 no hydrogen 2.686 N/A MET 192.A N GLU 188.A O no hydrogen 3.025 N/A ILE 193.A N SER 189.A O no hydrogen 3.021 N/A LEU 194.A N ALA 190.A O no hydrogen 3.273 N/A LEU 195.A N LYS 191.A O no hydrogen 3.306 N/A LEU 195.A N MET 192.A O no hydrogen 3.298 N/A SER 196.A N MET 192.A O no hydrogen 2.824 N/A SER 196.A OG ILE 193.A O no hydrogen 3.486 N/A THR 199.A N ASP 197.A OD1 no hydrogen 2.845 N/A THR 199.A OG1 ASP 197.A OD1 no hydrogen 2.691 N/A THR 199.A OG1 ASP 197.A OD2 no hydrogen 3.447 N/A ILE 200.A N ASP 197.A O no hydrogen 3.176 N/A LYS 203.A NZ SER 210.A OG no hydrogen 3.306 N/A HIS 206.A N LYS 203.A O no hydrogen 2.952 N/A LEU 207.A N ASP 161.A OD1 no hydrogen 2.853 N/A TRP 208.A N ASP 161.A OD2 no hydrogen 3.052 N/A TRP 208.A NE1 ILE 159.A O no hydrogen 2.963 N/A SER 210.A N THR 201.A O no hydrogen 2.802 N/A SER 210.A OG THR 201.A O no hydrogen 3.236 N/A PHE 211.A N PRO 209.A O no hydrogen 2.965 N/A THR 212.A N GLN 215.A OE1 no hydrogen 3.093 N/A GLN 215.A N THR 212.A OG1 no hydrogen 3.074 N/A TRP 216.A N THR 212.A O no hydrogen 2.921 N/A ILE 217.A N ASP 213.A O no hydrogen 3.317 N/A THR 218.A N GLU 214.A O no hydrogen 3.224 N/A THR 218.A OG1 GLU 214.A O no hydrogen 3.397 N/A ILE 219.A N GLN 215.A O no hydrogen 2.830 N/A GLU 220.A N TRP 216.A O no hydrogen 2.751 N/A SER 221.A N.A ILE 217.A O no hydrogen 2.952 N/A SER 221.A N.B ILE 217.A O no hydrogen 2.953 N/A SER 221.A OG.A ILE 217.A O no hydrogen 2.576 N/A GLN 222.A N THR 218.A O no hydrogen 2.910 N/A MET 223.A N ILE 219.A O no hydrogen 2.866 N/A ARG 224.A N.A GLU 220.A O no hydrogen 2.995 N/A ARG 224.A N.B GLU 220.A O no hydrogen 3.007 N/A ASP 225.A N SER 221.A O.A no hydrogen 3.014 N/A ASP 225.A N SER 221.A O.B no hydrogen 3.016 N/A LEU 226.A N GLN 222.A O no hydrogen 3.052 N/A ILE 227.A N MET 223.A O no hydrogen 3.071 N/A LEU 228.A N ARG 224.A O.A no hydrogen 2.956 N/A LEU 228.A N ARG 224.A O.B no hydrogen 2.966 N/A THR 229.A N ASP 225.A O no hydrogen 3.007 N/A THR 229.A OG1 ASP 225.A O no hydrogen 3.022 N/A GLU 230.A N LEU 226.A O no hydrogen 3.212 N/A TYR 231.A N ILE 227.A O no hydrogen 3.285 N/A TYR 231.A N LEU 228.A O no hydrogen 3.047 N/A GLY 232.A N LEU 228.A O no hydrogen 3.390 N/A ARG 233.A N THR 229.A O no hydrogen 3.137 N/A LYS 234.A N GLU 230.A O no hydrogen 2.675 N/A TYR 235.A N TYR 231.A O no hydrogen 2.908 N/A ASN 236.A N GLY 232.A O no hydrogen 2.369 N/A VAL 237.A N GLY 232.A O no hydrogen 3.326 N/A