Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4p5u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 30.A OD1 no hydrogen 2.593 N/A MET 1.A N ASP 249.A OD2 no hydrogen 2.799 N/A ASP 3.A N GLY 31.A O no hydrogen 3.151 N/A ILE 4.A N ILE 200.A O no hydrogen 3.177 N/A GLY 5.A N ASP 3.A OD1 no hydrogen 2.926 N/A VAL 6.A N LEU 33.A O no hydrogen 3.228 N/A ASN 7.A N ALA 204.A O no hydrogen 2.890 N/A ASN 7.A ND2 ASP 203.A O no hydrogen 3.452 N/A ASN 7.A ND2 ASP 203.A OD1 no hydrogen 3.063 N/A ASN 7.A ND2 ALA 204.A O no hydrogen 3.013 N/A THR 9.A OG1 GLU 41.A OE1 no hydrogen 2.811 N/A SER 10.A N ASN 7.A O no hydrogen 3.088 N/A GLN 12.A N SER 10.A OG no hydrogen 3.203 N/A PHE 13.A N SER 10.A O no hydrogen 3.071 N/A ALA 14.A N SER 11.A O no hydrogen 3.045 N/A ASP 16.A N PHE 13.A O no hydrogen 3.295 N/A ARG 17.A NE LEU 8.A O no hydrogen 2.987 N/A ARG 17.A NH2 LEU 8.A O no hydrogen 3.234 N/A ARG 17.A NH2 SER 10.A O no hydrogen 3.542 N/A VAL 20.A N ASP 16.A O no hydrogen 2.945 N/A VAL 21.A N ARG 17.A O no hydrogen 3.125 N/A ALA 22.A N ASP 18.A O no hydrogen 3.093 N/A CYS 23.A N ASP 19.A O no hydrogen 2.615 N/A CYS 23.A SG ASP 19.A OD1 no hydrogen 3.405 N/A CYS 23.A SG ASP 19.A OD2 no hydrogen 3.560 N/A ALA 24.A N VAL 20.A O no hydrogen 3.022 N/A PHE 25.A N VAL 21.A O no hydrogen 2.993 N/A ASP 26.A N ALA 22.A O no hydrogen 2.767 N/A ALA 27.A N CYS 23.A O no hydrogen 2.941 N/A GLY 28.A N PHE 25.A O no hydrogen 2.801 N/A VAL 29.A N ALA 24.A O no hydrogen 2.980 N/A ASN 30.A N MET 1.A O no hydrogen 2.858 N/A LEU 32.A N SER 54.A O no hydrogen 2.957 N/A LEU 33.A N ASP 3.A O no hydrogen 2.977 N/A ILE 34.A N TRP 56.A O no hydrogen 2.700 N/A THR 35.A N VAL 6.A O no hydrogen 3.020 N/A GLY 36.A N THR 58.A OG1 no hydrogen 2.818 N/A GLU 41.A N ASN 38.A OD1 no hydrogen 2.964 N/A SER 42.A N ASN 38.A O no hydrogen 2.845 N/A SER 42.A OG ASN 38.A O no hydrogen 2.460 N/A SER 42.A OG GLY 60.A O no hydrogen 3.230 N/A GLN 43.A N LEU 39.A O no hydrogen 2.962 N/A GLN 44.A N ARG 40.A O no hydrogen 2.852 N/A ALA 45.A N GLU 41.A O no hydrogen 2.770 N/A GLN 46.A N SER 42.A O no hydrogen 3.124 N/A GLN 46.A NE2 GLU 85.A OE1 no hydrogen 2.737 N/A LYS 47.A N GLN 43.A O no hydrogen 3.169 N/A LEU 48.A N GLN 44.A O no hydrogen 2.910 N/A ALA 49.A N ALA 45.A O no hydrogen 2.885 N/A ARG 50.A N GLN 46.A O no hydrogen 3.172 N/A GLN 51.A N LEU 48.A O no hydrogen 2.881 N/A TYR 52.A OH ASP 18.A OD1 no hydrogen 2.780 N/A CYS 55.A SG SER 53.A O no hydrogen 3.709 N/A TRP 56.A N LEU 32.A O no hydrogen 2.994 N/A SER 57.A N GLU 85.A O no hydrogen 2.895 N/A THR 58.A N ILE 34.A O no hydrogen 3.051 N/A THR 58.A OG1 GLY 36.A O no hydrogen 3.448 N/A THR 58.A OG1 GLY 90.A O no hydrogen 2.738 N/A ALA 59.A N ALA 88.A O no hydrogen 3.021 N/A GLY 60.A N SER 42.A OG no hydrogen 3.162 N/A VAL 61.A N GLN 113.A OE1 no hydrogen 2.677 N/A HIS 62.A N THR 37.A O no hydrogen 2.628 N/A HIS 64.A N HIS 62.A ND1 no hydrogen 3.097 N/A ASP 65.A N HIS 62.A O no hydrogen 2.788 N/A SER 66.A N PRO 63.A O no hydrogen 3.285 N/A SER 66.A OG PRO 63.A O no hydrogen 2.510 N/A SER 67.A N SER 101.A OG no hydrogen 3.114 N/A SER 67.A OG GLN 68.A OE1 no hydrogen 2.615 N/A GLN 68.A N ASP 65.A O no hydrogen 3.080 N/A TRP 69.A N SER 66.A O no hydrogen 3.128 N/A GLN 70.A N THR 73.A OG1 no hydrogen 2.836 N/A THR 73.A N GLN 70.A O no hydrogen 3.027 N/A THR 73.A OG1 GLN 70.A O no hydrogen 3.078 N/A ALA 76.A N ALA 72.A O no hydrogen 3.297 N/A ILE 77.A N THR 73.A O no hydrogen 2.862 N/A ILE 78.A N GLU 74.A O no hydrogen 2.904 N/A GLU 79.A N GLU 75.A O no hydrogen 2.777 N/A LEU 80.A N ALA 76.A O no hydrogen 3.117 N/A ALA 81.A N ILE 77.A O no hydrogen 2.691 N/A ALA 82.A N ILE 78.A O no hydrogen 2.911 N/A GLN 83.A N LEU 80.A O no hydrogen 2.908 N/A VAL 86.A N GLN 83.A O no hydrogen 3.092 N/A VAL 87.A N SER 57.A O no hydrogen 3.094 N/A ILE 89.A N PRO 123.A O no hydrogen 3.022 N/A GLY 90.A N ALA 59.A O no hydrogen 2.951 N/A GLU 91.A N GLY 36.A O no hydrogen 2.739 N/A CYS 92.A N PHE 125.A O no hydrogen 3.141 N/A CYS 92.A SG ILE 89.A O no hydrogen 3.952 N/A CYS 92.A SG PHE 125.A O no hydrogen 4.014 N/A LEU 94.A N HIS 127.A O no hydrogen 2.913 N/A ASP 95.A N GLN 106.A OE1 no hydrogen 2.845 N/A PHE 96.A N ARG 129.A O no hydrogen 3.030 N/A ASN 97.A N ASP 95.A OD1 no hydrogen 2.692 N/A ASN 99.A N ASN 97.A OD1 no hydrogen 3.148 N/A SER 101.A OG PRO 63.A O no hydrogen 3.365 N/A SER 101.A OG HIS 64.A O no hydrogen 2.999 N/A SER 101.A OG PHE 100.A O no hydrogen 2.774 N/A THR 102.A N GLU 105.A OE1 no hydrogen 2.965 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 2.722 N/A GLU 105.A N THR 102.A OG1 no hydrogen 2.970 N/A GLN 106.A N THR 102.A O no hydrogen 2.812 N/A GLN 106.A NE2 ASP 95.A O no hydrogen 2.678 N/A GLN 106.A NE2 ASN 97.A O no hydrogen 3.205 N/A GLN 106.A NE2 SER 101.A O no hydrogen 3.293 N/A GLU 107.A N PRO 103.A O no hydrogen 2.831 N/A ARG 108.A N GLU 104.A O no hydrogen 3.174 N/A ALA 109.A N GLU 105.A O no hydrogen 3.166 N/A PHE 110.A N GLN 106.A O no hydrogen 2.941 N/A VAL 111.A N GLU 107.A O no hydrogen 2.956 N/A ALA 112.A N ARG 108.A O no hydrogen 3.024 N/A GLN 113.A N ALA 109.A O no hydrogen 3.147 N/A GLN 113.A NE2 VAL 61.A O no hydrogen 3.228 N/A GLN 113.A NE2 ALA 109.A O no hydrogen 2.961 N/A LEU 114.A N PHE 110.A O no hydrogen 3.077 N/A ARG 115.A N VAL 111.A O no hydrogen 2.997 N/A ARG 115.A NE ASP 119.A OD1 no hydrogen 3.125 N/A ARG 115.A NE ASP 119.A OD2 no hydrogen 2.799 N/A ILE 116.A N ALA 112.A O no hydrogen 3.156 N/A ALA 117.A N GLN 113.A O no hydrogen 3.030 N/A ALA 118.A N LEU 114.A O no hydrogen 3.027 N/A ASP 119.A N ARG 115.A O no hydrogen 2.973 N/A LEU 120.A N ILE 116.A O no hydrogen 2.888 N/A ASN 121.A N ALA 118.A O no hydrogen 3.400 N/A MET 122.A N ALA 117.A O no hydrogen 2.847 N/A VAL 124.A N GLY 148.A O no hydrogen 3.135 N/A PHE 125.A N ILE 89.A O no hydrogen 2.920 N/A MET 126.A N VAL 150.A O no hydrogen 2.734 N/A HIS 127.A N CYS 92.A O no hydrogen 2.949 N/A HIS 127.A ND1 HIS 62.A NE2 no hydrogen 3.007 N/A ARG 129.A N LEU 94.A O no hydrogen 2.925 N/A PHE 135.A N ALA 131.A O no hydrogen 2.871 N/A MET 136.A N HIS 132.A O no hydrogen 2.976 N/A THR 137.A N GLU 133.A O no hydrogen 3.197 N/A THR 137.A OG1 GLU 133.A O no hydrogen 2.884 N/A LEU 138.A N ARG 134.A O no hydrogen 3.129 N/A LEU 138.A N PHE 135.A O no hydrogen 3.248 N/A LEU 139.A N PHE 135.A O no hydrogen 3.021 N/A GLU 140.A N MET 136.A O no hydrogen 2.964 N/A TRP 142.A N LEU 139.A O no hydrogen 2.846 N/A LEU 143.A N LEU 139.A O no hydrogen 3.028 N/A LYS 145.A N TRP 142.A O no hydrogen 3.176 N/A LYS 145.A NZ PRO 141.A O no hydrogen 3.437 N/A LEU 146.A N LEU 143.A O no hydrogen 3.041 N/A VAL 150.A N VAL 124.A O no hydrogen 2.978 N/A LEU 151.A N TYR 170.A O no hydrogen 2.782 N/A HIS 152.A N MET 126.A O no hydrogen 2.979 N/A HIS 152.A ND1 GLU 201.A OE1 no hydrogen 2.657 N/A CYS 153.A N GLU 201.A OE2 no hydrogen 2.857 N/A PHE 154.A N GLY 172.A O no hydrogen 2.961 N/A THR 157.A N GLU 160.A OE1 no hydrogen 3.037 N/A GLU 160.A N THR 157.A OG1 no hydrogen 3.161 N/A MET 161.A N THR 157.A O no hydrogen 2.927 N/A GLN 162.A N ARG 158.A O no hydrogen 2.997 N/A ALA 163.A N GLU 159.A O no hydrogen 2.867 N/A CYS 164.A N GLU 160.A O no hydrogen 3.062 N/A CYS 164.A SG GLU 160.A O no hydrogen 3.230 N/A VAL 165.A N MET 161.A O no hydrogen 2.972 N/A ALA 166.A N GLN 162.A O no hydrogen 3.372 N/A HIS 167.A N CYS 164.A O no hydrogen 2.983 N/A GLY 168.A N VAL 165.A O no hydrogen 3.051 N/A ILE 169.A N CYS 164.A O no hydrogen 3.333 N/A TYR 170.A N ALA 149.A O no hydrogen 2.915 N/A ILE 171.A N LYS 197.A O no hydrogen 2.704 N/A GLY 172.A N LEU 151.A O no hydrogen 2.841 N/A ILE 173.A N LEU 199.A O no hydrogen 2.952 N/A TRP 176.A N THR 174.A OG1 no hydrogen 3.219 N/A CYS 178.A N GLY 175.A O no hydrogen 2.912 N/A CYS 178.A SG ASP 211.A OD2 no hydrogen 3.799 N/A ASP 179.A N TRP 176.A O no hydrogen 2.908 N/A ARG 182.A N ASP 179.A OD1 no hydrogen 2.509 N/A ARG 182.A NH1 ASP 179.A OD1 no hydrogen 3.519 N/A ARG 182.A NH1 ASP 179.A OD2 no hydrogen 2.972 N/A GLY 183.A N ASP 179.A O no hydrogen 2.832 N/A ARG 187.A N GLY 183.A O no hydrogen 2.881 N/A GLU 188.A N LEU 184.A O no hydrogen 2.931 N/A GLU 188.A N GLU 185.A O no hydrogen 3.278 N/A LEU 189.A N GLU 185.A O no hydrogen 3.215 N/A LEU 190.A N LEU 186.A O no hydrogen 3.148 N/A LEU 192.A N LEU 189.A O no hydrogen 2.711 N/A ILE 193.A N LEU 190.A O no hydrogen 3.260 N/A LYS 197.A N PRO 194.A O no hydrogen 2.902 N/A LYS 197.A NZ GLY 168.A O no hydrogen 2.912 N/A LEU 198.A N ALA 195.A O no hydrogen 3.320 N/A LEU 199.A N ILE 171.A O no hydrogen 2.995 N/A GLU 201.A N ILE 173.A O no hydrogen 3.144 N/A THR 202.A N ASP 3.A OD1 no hydrogen 3.077 N/A THR 202.A OG1 ASP 3.A OD2 no hydrogen 2.677 N/A THR 202.A OG1 GLY 5.A O no hydrogen 3.409 N/A ASP 203.A N GLY 5.A O no hydrogen 2.795 N/A ALA 204.A N THR 202.A OG1 no hydrogen 3.073 N/A TYR 206.A N ASP 203.A O no hydrogen 2.791 N/A LEU 212.A N PRO 209.A O no hydrogen 3.106 N/A LYS 215.A NZ ARG 210.A O no hydrogen 2.826 N/A LYS 215.A NZ LEU 212.A O no hydrogen 2.460 N/A ARG 219.A N PRO 216.A O no hydrogen 3.099 N/A ARG 220.A N SER 218.A OG no hydrogen 3.249 N/A ARG 220.A NH1 GLN 12.A O no hydrogen 2.311 N/A ARG 220.A NH1 ASP 16.A OD1 no hydrogen 3.108 N/A ARG 220.A NH1 ASP 16.A OD2 no hydrogen 3.529 N/A ARG 220.A NH2 ASP 16.A OD2 no hydrogen 2.708 N/A ASN 221.A N PRO 205.A O no hydrogen 2.944 N/A ASN 221.A ND2 TYR 206.A O no hydrogen 2.851 N/A GLU 222.A N ASN 221.A OD1 no hydrogen 2.893 N/A HIS 225.A N GLU 222.A O no hydrogen 2.886 N/A HIS 225.A ND1 ASN 221.A OD1 no hydrogen 3.014 N/A LEU 226.A N PRO 223.A O no hydrogen 2.989 N/A HIS 228.A N HIS 225.A O no hydrogen 3.163 N/A HIS 228.A NE2 ASP 211.A OD1 no hydrogen 2.639 N/A ILE 229.A N HIS 225.A O no hydrogen 3.411 N/A LEU 230.A N LEU 226.A O no hydrogen 2.929 N/A GLN 231.A N PRO 227.A O no hydrogen 3.015 N/A GLN 231.A NE2 PRO 227.A O no hydrogen 3.282 N/A ARG 232.A N HIS 228.A O no hydrogen 3.019 N/A ARG 232.A NE ASP 211.A OD2 no hydrogen 3.318 N/A ILE 233.A N ILE 229.A O no hydrogen 2.911 N/A ALA 234.A N LEU 230.A O no hydrogen 2.788 N/A HIS 235.A N GLN 231.A O no hydrogen 3.057 N/A TRP 236.A N ARG 232.A O no hydrogen 2.999 N/A ARG 237.A N ILE 233.A O no hydrogen 2.952 N/A ARG 237.A N ALA 234.A O no hydrogen 3.219 N/A ARG 237.A NE GLU 239.A OE1 no hydrogen 2.603 N/A ARG 237.A NH1 LEU 190.A O no hydrogen 2.764 N/A ARG 237.A NH1 ILE 193.A O no hydrogen 2.754 N/A ARG 237.A NH2 ILE 193.A O no hydrogen 3.282 N/A GLY 238.A N HIS 235.A O no hydrogen 2.882 N/A GLU 239.A N ALA 234.A O no hydrogen 2.690 N/A TRP 243.A N ASP 240.A OD2 no hydrogen 3.086 N/A LEU 244.A N ASP 240.A O no hydrogen 3.173 N/A ALA 245.A N ALA 241.A O no hydrogen 2.881 N/A ALA 246.A N ALA 242.A O no hydrogen 3.249 N/A THR 247.A N TRP 243.A O no hydrogen 2.956 N/A THR 247.A OG1 TRP 243.A O no hydrogen 3.256 N/A THR 248.A N LEU 244.A O no hydrogen 2.777 N/A THR 248.A OG1 LEU 244.A O no hydrogen 2.872 N/A THR 248.A OG1 ALA 245.A O no hydrogen 3.118 N/A ASP 249.A N ALA 245.A O no hydrogen 2.965 N/A ALA 250.A N ALA 246.A O no hydrogen 3.087 N/A ASN 251.A N THR 247.A O no hydrogen 2.991 N/A ASN 251.A ND2 ALA 195.A O no hydrogen 2.827 N/A ASN 251.A ND2 LEU 198.A O no hydrogen 2.817 N/A VAL 252.A N THR 248.A O no hydrogen 3.125 N/A LYS 253.A N ASP 249.A O no hydrogen 3.217 N/A LYS 253.A NZ PHE 260.A O no hydrogen 3.274 N/A LYS 253.A NZ GLU 262.A OE2 no hydrogen 2.734 N/A THR 254.A N ALA 250.A O no hydrogen 2.834 N/A THR 254.A OG1 ALA 250.A O no hydrogen 2.951 N/A LEU 255.A N ASN 251.A O no hydrogen 2.886 N/A PHE 256.A N VAL 252.A O no hydrogen 2.764 N/A GLY 257.A N LYS 253.A O no hydrogen 2.877 N/A