Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3umw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ILE 20.A O no hydrogen 2.883 N/A GLY 5.A N SER 18.A O no hydrogen 2.759 N/A LEU 8.A N VAL 16.A O no hydrogen 2.677 N/A GLY 9.A N VAL 16.A O no hydrogen 3.329 N/A GLY 11.A N GLY 14.A O no hydrogen 2.896 N/A GLY 14.A N GLY 11.A O no hydrogen 3.222 N/A SER 15.A N HIS 32.A O no hydrogen 3.001 N/A VAL 16.A N GLY 9.A O no hydrogen 2.833 N/A TYR 17.A N ILE 30.A O no hydrogen 2.871 N/A SER 18.A N PRO 6.A O no hydrogen 2.879 N/A GLY 19.A N VAL 28.A O no hydrogen 2.964 N/A ILE 20.A N GLN 3.A O no hydrogen 3.002 N/A ARG 21.A N LEU 26.A O no hydrogen 2.847 N/A ARG 21.A NE ASP 24.A OD1 no hydrogen 3.166 N/A ARG 21.A NH2 ASP 24.A OD2 no hydrogen 2.601 N/A VAL 22.A N GLN 1.A O no hydrogen 3.194 N/A ASN 25.A N ARG 21.A O no hydrogen 2.824 N/A LEU 26.A N ASP 24.A OD1 no hydrogen 2.998 N/A VAL 28.A N GLY 19.A O no hydrogen 2.924 N/A ALA 29.A N LEU 80.A O no hydrogen 2.783 N/A ILE 30.A N TYR 17.A O no hydrogen 2.778 N/A LYS 31.A N LEU 78.A O no hydrogen 2.769 N/A LYS 31.A NZ GLU 49.A OE1.A no hydrogen 2.850 N/A LYS 31.A NZ GLU 49.A OE1.B no hydrogen 2.507 N/A LYS 31.A NZ GLU 49.A OE2.A no hydrogen 3.169 N/A LYS 31.A NZ ASP 146.A OD1 no hydrogen 3.113 N/A HIS 32.A N SER 15.A O no hydrogen 2.781 N/A VAL 33.A N PHE 76.A O no hydrogen 2.822 N/A GLU 34.A N PHE 13.A O no hydrogen 2.842 N/A LYS 35.A N ASP 74.A O no hydrogen 2.911 N/A LYS 35.A NZ GLU 71.A OE2 no hydrogen 3.203 N/A LYS 35.A NZ ARG 72.A O no hydrogen 2.621 N/A LYS 35.A NZ PRO 73.A O no hydrogen 2.901 N/A ARG 37.A N GLU 34.A O no hydrogen 3.056 N/A ILE 38.A N LYS 35.A O no hydrogen 3.335 N/A GLY 42.A N VAL 46.A O no hydrogen 2.790 N/A VAL 46.A N GLY 42.A O no hydrogen 2.950 N/A MET 48.A N ASP 40.A O no hydrogen 3.188 N/A VAL 50.A N PRO 47.A O no hydrogen 2.807 N/A VAL 51.A N PRO 47.A O no hydrogen 3.491 N/A LEU 52.A N MET 48.A O no hydrogen 2.851 N/A LEU 53.A N GLU 49.A O no hydrogen 2.931 N/A LYS 54.A N VAL 50.A O no hydrogen 3.003 N/A LYS 55.A N VAL 51.A O no hydrogen 3.040 N/A LYS 55.A NZ CYS 121.A O no hydrogen 3.411 N/A VAL 56.A N LEU 52.A O no hydrogen 3.161 N/A VAL 56.A N LEU 53.A O no hydrogen 3.249 N/A SER 57.A N LEU 53.A O no hydrogen 2.520 N/A SER 57.A OG LEU 53.A O no hydrogen 2.620 N/A ILE 64.A N LEU 144.A O no hydrogen 3.009 N/A ARG 65.A N GLU 81.A OE1 no hydrogen 3.188 N/A LEU 66.A N SER 57.A OG no hydrogen 2.988 N/A LEU 67.A N ILE 79.A O no hydrogen 2.738 N/A ASP 68.A N ILE 79.A O no hydrogen 3.455 N/A TRP 69.A N ASP 68.A OD1 no hydrogen 2.832 N/A PHE 70.A N VAL 77.A O no hydrogen 2.795 N/A ARG 72.A N SER 75.A O no hydrogen 2.791 N/A PHE 76.A N VAL 33.A O no hydrogen 2.898 N/A VAL 77.A N PHE 70.A O no hydrogen 2.765 N/A LEU 78.A N LYS 31.A O no hydrogen 2.722 N/A ILE 79.A N ASP 68.A O no hydrogen 2.822 N/A LEU 80.A N ALA 29.A O no hydrogen 2.809 N/A GLU 81.A N ARG 65.A O no hydrogen 3.017 N/A ARG 82.A NE VAL 28.A O no hydrogen 2.733 N/A ARG 82.A NH1 GLU 84.A OE2.B no hydrogen 3.015 N/A ARG 82.A NH2 GLY 19.A O no hydrogen 2.752 N/A GLN 87.A N ILE 135.A O no hydrogen 3.202 N/A LEU 89.A N ILE 133.A O no hydrogen 2.795 N/A PHE 90.A N ASP 130.A O no hydrogen 3.371 N/A ASP 91.A N ASP 88.A OD2 no hydrogen 2.695 N/A PHE 92.A N ASP 88.A O no hydrogen 3.058 N/A ILE 93.A N LEU 89.A O no hydrogen 2.888 N/A THR 94.A N PHE 90.A O no hydrogen 2.836 N/A THR 94.A OG1 PHE 90.A O no hydrogen 2.839 N/A GLU 95.A N ASP 91.A O no hydrogen 2.957 N/A ARG 96.A N PHE 92.A O no hydrogen 3.007 N/A ARG 96.A NH1 HIS 263.A O no hydrogen 2.726 N/A ARG 96.A NH2 HIS 263.A O no hydrogen 2.697 N/A GLY 97.A N ILE 93.A O no hydrogen 2.817 N/A LEU 99.A N MET 195.A O no hydrogen 2.826 N/A ALA 104.A N GLN 100.A O no hydrogen 2.863 N/A ARG 105.A N GLU 101.A O no hydrogen 2.795 N/A ARG 105.A NE TRP 249.A O no hydrogen 2.652 N/A ARG 105.A NH2 TRP 249.A O no hydrogen 3.232 N/A SER 106.A N GLU 102.A O no hydrogen 3.278 N/A SER 106.A OG THR 259.A OG1 no hydrogen 2.664 N/A PHE 107.A N LEU 103.A O no hydrogen 3.038 N/A PHE 108.A N ALA 104.A O no hydrogen 2.820 N/A TRP 109.A N ARG 105.A O no hydrogen 2.864 N/A GLN 110.A N SER 106.A O no hydrogen 3.142 N/A GLN 110.A NE2 GLY 140.A O no hydrogen 2.860 N/A VAL 111.A N PHE 107.A O no hydrogen 2.960 N/A LEU 112.A N PHE 108.A O no hydrogen 2.894 N/A GLU 113.A N TRP 109.A O no hydrogen 2.938 N/A ALA 114.A N GLN 110.A O no hydrogen 2.977 N/A VAL 115.A N VAL 111.A O no hydrogen 2.853 N/A ARG 116.A N LEU 112.A O no hydrogen 2.844 N/A ARG 116.A NH1 GLN 245.A OE1 no hydrogen 2.940 N/A HIS 117.A N GLU 113.A O no hydrogen 3.065 N/A HIS 117.A NE2 VAL 56.A O no hydrogen 3.062 N/A CYS 118.A N ALA 114.A O no hydrogen 3.021 N/A CYS 118.A SG ALA 114.A O no hydrogen 3.384 N/A HIS 119.A N VAL 115.A O no hydrogen 2.948 N/A ASN 120.A N ARG 116.A O no hydrogen 2.794 N/A CYS 121.A N HIS 117.A O no hydrogen 3.011 N/A CYS 121.A N CYS 118.A O no hydrogen 2.980 N/A CYS 121.A SG LYS 55.A O no hydrogen 3.497 N/A CYS 121.A SG HIS 117.A O no hydrogen 3.455 N/A GLY 122.A N HIS 119.A O no hydrogen 2.932 N/A VAL 123.A N CYS 118.A O no hydrogen 2.803 N/A LEU 124.A N ALA 151.A O no hydrogen 2.810 N/A HIS 125.A NE2 ILE 145.A O no hydrogen 2.780 N/A ARG 126.A NE SER 149.A O no hydrogen 2.804 N/A ARG 126.A NH1 SER 149.A O no hydrogen 3.240 N/A ARG 126.A NH1 GLY 150.A O no hydrogen 3.258 N/A ARG 126.A NH1 ASP 160.A OD2 no hydrogen 3.025 N/A ARG 126.A NH2 ASP 160.A OD1 no hydrogen 3.109 N/A ARG 126.A NH2 ASP 160.A OD2 no hydrogen 3.192 N/A ARG 126.A NH2 TYR 178.A OH no hydrogen 2.981 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.006 N/A LYS 129.A NZ GLU 131.A OE2 no hydrogen 3.446 N/A LYS 129.A NZ THR 164.A OG1 no hydrogen 2.619 N/A ASP 130.A N TYR 167.A OH no hydrogen 3.469 N/A ASN 132.A N LYS 129.A O no hydrogen 2.902 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.783 N/A ASN 132.A ND2 ASP 127.A OD2 no hydrogen 2.997 N/A ILE 133.A N ASP 130.A O no hydrogen 3.241 N/A LEU 134.A N LYS 143.A O no hydrogen 2.795 N/A ILE 135.A N GLN 87.A O no hydrogen 2.773 N/A ASP 136.A N GLU 141.A O no hydrogen 2.739 N/A LEU 137.A N PRO 85.A O no hydrogen 3.293 N/A ARG 139.A N ASP 136.A O no hydrogen 3.275 N/A ARG 139.A N ASP 136.A OD1 no hydrogen 3.265 N/A GLY 140.A N ASP 136.A O no hydrogen 2.833 N/A GLU 141.A N ASP 136.A O no hydrogen 3.403 N/A LEU 142.A N GLN 110.A OE1 no hydrogen 2.810 N/A LYS 143.A N LEU 134.A O no hydrogen 2.805 N/A LEU 144.A N GLY 62.A O no hydrogen 2.860 N/A ILE 145.A N ASN 132.A O no hydrogen 2.888 N/A PHE 147.A N GLU 49.A OE2.A no hydrogen 3.164 N/A GLY 148.A N ASP 146.A OD1 no hydrogen 2.976 N/A SER 149.A OG ASP 162.A O no hydrogen 3.340 N/A GLY 150.A N PHE 147.A O no hydrogen 3.055 N/A ALA 151.A N LEU 124.A O no hydrogen 2.937 N/A LEU 153.A N GLY 122.A O no hydrogen 2.755 N/A LYS 154.A N TYR 158.A OH no hydrogen 3.009 N/A LYS 154.A NZ VAL 157.A O no hydrogen 3.119 N/A TYR 158.A N TYR 178.A O no hydrogen 2.803 N/A TYR 158.A OH LEU 152.A O no hydrogen 2.723 N/A THR 164.A OG1 ASP 127.A OD1 no hydrogen 2.614 N/A ARG 165.A NE ASP 205.A OD1 no hydrogen 3.068 N/A ARG 165.A NH2 ASP 205.A OD2 no hydrogen 2.898 N/A TYR 167.A N THR 164.A O no hydrogen 2.963 N/A SER 168.A N ARG 165.A O no hydrogen 2.715 N/A SER 168.A OG ARG 165.A O no hydrogen 2.485 N/A GLU 171.A N GLU 171.A OE2 no hydrogen 2.768 N/A TRP 172.A N PRO 169.A O no hydrogen 3.020 N/A ILE 173.A N PRO 169.A O no hydrogen 3.148 N/A ARG 174.A N PRO 170.A O no hydrogen 2.847 N/A ARG 174.A NE TYR 175.A OH no hydrogen 3.065 N/A ARG 174.A NH1 TYR 175.A OH no hydrogen 2.794 N/A TYR 175.A N GLU 171.A O no hydrogen 2.945 N/A HIS 176.A N TRP 172.A O no hydrogen 2.924 N/A TYR 178.A N TYR 158.A O no hydrogen 3.213 N/A TYR 178.A OH ASP 160.A O no hydrogen 2.540 N/A ALA 183.A N HIS 179.A O no hydrogen 3.102 N/A ALA 184.A N GLY 180.A O no hydrogen 3.003 N/A VAL 185.A N ARG 181.A O no hydrogen 2.969 N/A TRP 186.A N SER 182.A O no hydrogen 3.099 N/A SER 187.A N ALA 183.A O no hydrogen 3.112 N/A SER 187.A OG ALA 184.A O no hydrogen 2.688 N/A LEU 188.A N ALA 184.A O no hydrogen 2.888 N/A GLY 189.A N VAL 185.A O no hydrogen 2.849 N/A ILE 190.A N TRP 186.A O no hydrogen 3.021 N/A LEU 191.A N SER 187.A O no hydrogen 2.909 N/A LEU 192.A N LEU 188.A O no hydrogen 2.856 N/A TYR 193.A N GLY 189.A O no hydrogen 3.036 N/A TYR 193.A OH PHE 214.A O no hydrogen 2.486 N/A ASP 194.A N ILE 190.A O no hydrogen 2.858 N/A MET 195.A N LEU 191.A O no hydrogen 2.917 N/A VAL 196.A N LEU 192.A O no hydrogen 3.068 N/A CYS 197.A N TYR 193.A O no hydrogen 2.815 N/A GLY 198.A N ASP 194.A O no hydrogen 2.769 N/A ILE 200.A N ASP 199.A OD1 no hydrogen 2.983 N/A GLU 203.A N GLU 207.A OE1 no hydrogen 3.027 N/A HIS 204.A N GLU 207.A OE1 no hydrogen 2.981 N/A ILE 208.A N HIS 204.A O no hydrogen 3.214 N/A ILE 209.A N ASP 205.A O no hydrogen 2.912 N/A ARG 210.A N GLU 206.A O no hydrogen 2.983 N/A GLY 211.A N GLU 207.A O no hydrogen 2.858 N/A ARG 216.A NE TYR 193.A OH no hydrogen 3.296 N/A SER 220.A N GLU 101.A OE2 no hydrogen 2.868 N/A SER 220.A OG GLU 101.A OE1 no hydrogen 2.673 N/A SER 220.A OG GLU 101.A OE2 no hydrogen 3.543 N/A CYS 223.A N SER 220.A OG no hydrogen 3.254 N/A GLN 224.A N SER 220.A O no hydrogen 2.951 N/A GLN 224.A NE2 VAL 219.A O no hydrogen 3.293 N/A HIS 225.A N SER 221.A O no hydrogen 2.966 N/A HIS 225.A ND1 HIS 247.A NE2 no hydrogen 2.781 N/A LEU 226.A N GLU 222.A O no hydrogen 3.082 N/A ILE 227.A N CYS 223.A O no hydrogen 2.936 N/A ARG 228.A N GLN 224.A O no hydrogen 2.888 N/A ARG 228.A NH1 VAL 213.A O no hydrogen 2.784 N/A ARG 228.A NH2 GLN 224.A OE1 no hydrogen 2.976 N/A TRP 229.A N HIS 225.A O no hydrogen 2.868 N/A CYS 230.A N LEU 226.A O no hydrogen 2.920 N/A CYS 230.A SG LEU 226.A O no hydrogen 3.471 N/A LEU 231.A N ILE 227.A O no hydrogen 2.943 N/A ALA 232.A N TRP 229.A O no hydrogen 3.113 N/A ASP 237.A N ARG 234.A O no hydrogen 2.926 N/A ARG 238.A N PRO 235.A O no hydrogen 3.134 N/A ARG 238.A NE ALA 232.A O no hydrogen 2.780 N/A ARG 238.A NH1 GLU 171.A OE1 no hydrogen 2.833 N/A ARG 238.A NH1 SER 182.A O no hydrogen 2.929 N/A ARG 238.A NH2 GLU 171.A OE2 no hydrogen 2.861 N/A ARG 238.A NH2 ALA 232.A O no hydrogen 3.097 N/A THR 240.A N GLU 243.A OE1 no hydrogen 2.927 N/A THR 240.A OG1 GLU 243.A OE1 no hydrogen 3.472 N/A GLU 243.A N THR 240.A OG1 no hydrogen 3.051 N/A ILE 244.A N THR 240.A O no hydrogen 2.939 N/A GLN 245.A N PHE 241.A O no hydrogen 2.938 N/A GLN 245.A NE2 GLU 113.A OE2 no hydrogen 2.763 N/A ASN 246.A N GLU 242.A O no hydrogen 2.939 N/A HIS 247.A N ILE 244.A O no hydrogen 3.059 N/A HIS 247.A NE2 HIS 225.A ND1 no hydrogen 2.781 N/A TRP 249.A N HIS 247.A ND1 no hydrogen 2.987 N/A TRP 249.A NE1 GLU 101.A OE1 no hydrogen 2.796 N/A MET 250.A N HIS 247.A O no hydrogen 2.825 N/A GLN 251.A N PRO 248.A O no hydrogen 3.290 N/A GLN 251.A NE2 GLN 245.A O no hydrogen 3.015 N/A GLN 251.A NE2 HIS 247.A O no hydrogen 2.875 N/A LEU 255.A N GLU 258.A OE1 no hydrogen 2.899 N/A GLN 257.A NE2 ASN 138.A O no hydrogen 2.992 N/A GLN 257.A NE2 GLN 257.A O no hydrogen 3.559 N/A THR 259.A N LEU 255.A O no hydrogen 2.960 N/A THR 259.A OG1 SER 106.A OG no hydrogen 2.664 N/A THR 259.A OG1 LEU 255.A O no hydrogen 2.768 N/A ALA 260.A N PRO 256.A O no hydrogen 2.923 N/A GLU 261.A N GLN 257.A O no hydrogen 2.968 N/A ILE 262.A N GLU 258.A O no hydrogen 2.912 N/A HIS 263.A N THR 259.A O no hydrogen 2.861 N/A HIS 263.A NE2 GLU 102.A OE1 no hydrogen 2.750 N/A LEU 264.A N ALA 260.A O no hydrogen 2.900 N/A