Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u4d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 HIS 58.A ND1 no hydrogen 3.055 N/A CYS 3.A N TYR 69.A O no hydrogen 3.183 N/A ILE 5.A N VAL 71.A O no hydrogen 2.728 N/A ASP 9.A N GLY 6.A O no hydrogen 2.980 N/A LEU 10.A N GLU 7.A O no hydrogen 3.133 N/A ARG 11.A N GLU 28.A O no hydrogen 3.094 N/A ARG 11.A NH2 ASP 30.A OD2 no hydrogen 2.924 N/A LEU 13.A N ARG 26.A O no hydrogen 2.684 N/A LEU 16.A N VAL 24.A O no hydrogen 2.609 N/A GLY 17.A N VAL 24.A O no hydrogen 3.381 N/A GLY 19.A N GLY 22.A O no hydrogen 3.331 N/A SER 20.A OG GLU 53.A OE1 no hydrogen 3.090 N/A SER 20.A OG ASP 146.A OD2 no hydrogen 3.225 N/A GLY 22.A N GLY 19.A O no hydrogen 3.186 N/A VAL 24.A N GLY 17.A O no hydrogen 3.219 N/A ARG 25.A N VAL 41.A O no hydrogen 2.840 N/A ARG 26.A N GLU 14.A O no hydrogen 2.932 N/A GLY 27.A N VAL 39.A O no hydrogen 2.888 N/A GLU 28.A N ARG 11.A O no hydrogen 2.787 N/A TRP 29.A N VAL 37.A O no hydrogen 2.991 N/A ASP 30.A N ASP 9.A O no hydrogen 2.913 N/A ALA 31.A N LYS 35.A O no hydrogen 3.130 N/A GLY 34.A N ALA 31.A O no hydrogen 2.952 N/A LYS 35.A N SER 33.A OG no hydrogen 3.426 N/A THR 36.A OG1 ASP 30.A OD1 no hydrogen 2.826 N/A VAL 37.A N TRP 29.A O no hydrogen 2.909 N/A VAL 39.A N GLY 27.A O no hydrogen 3.243 N/A ALA 40.A N THR 81.A O no hydrogen 2.903 N/A VAL 41.A N ARG 25.A O no hydrogen 2.732 N/A LYS 42.A N MET 79.A O no hydrogen 2.930 N/A LYS 42.A NZ GLU 53.A OE2 no hydrogen 3.176 N/A CYS 43.A N VAL 23.A O no hydrogen 3.115 N/A ASP 48.A N PRO 44.A O no hydrogen 3.400 N/A ASP 49.A N GLU 45.A O no hydrogen 3.078 N/A PHE 50.A N ALA 46.A O no hydrogen 3.003 N/A ILE 51.A N MET 47.A O no hydrogen 3.133 N/A ARG 52.A N ASP 48.A O no hydrogen 3.039 N/A GLU 53.A N ASP 49.A O no hydrogen 3.171 N/A VAL 54.A N PHE 50.A O no hydrogen 3.055 N/A ASN 55.A N ILE 51.A O no hydrogen 2.864 N/A ALA 56.A N ARG 52.A O no hydrogen 2.878 N/A MET 57.A N GLU 53.A O no hydrogen 2.981 N/A HIS 58.A N VAL 54.A O no hydrogen 2.901 N/A HIS 58.A ND1 THR 2.A OG1 no hydrogen 3.055 N/A SER 59.A OG ASN 55.A O no hydrogen 3.062 N/A SER 59.A OG ALA 56.A O no hydrogen 3.018 N/A LEU 60.A N MET 57.A O no hydrogen 3.005 N/A ASP 61.A N TYR 118.A OH no hydrogen 2.994 N/A ASN 64.A N HIS 62.A ND1 no hydrogen 2.936 N/A ASN 64.A ND2 VAL 142.A O no hydrogen 3.118 N/A LEU 65.A N HIS 62.A O no hydrogen 3.167 N/A ILE 66.A N ILE 144.A O no hydrogen 3.042 N/A ARG 67.A N GLU 82.A OE1 no hydrogen 2.989 N/A TYR 69.A N VAL 80.A O no hydrogen 2.865 N/A GLY 70.A N VAL 80.A O no hydrogen 3.159 N/A VAL 71.A N CYS 3.A O no hydrogen 2.860 N/A VAL 72.A N LYS 78.A O no hydrogen 2.919 N/A LYS 78.A N VAL 72.A O no hydrogen 3.135 N/A LYS 78.A NZ PRO 76.A O no hydrogen 2.725 N/A MET 79.A N LYS 42.A O no hydrogen 2.840 N/A VAL 80.A N GLY 70.A O no hydrogen 2.894 N/A THR 81.A N ALA 40.A O no hydrogen 2.831 N/A THR 81.A OG1 ALA 40.A O no hydrogen 3.313 N/A THR 81.A OG1 GLU 82.A O no hydrogen 3.225 N/A GLU 82.A N ARG 67.A O no hydrogen 3.069 N/A LEU 86.A N LEU 136.A O no hydrogen 3.167 N/A GLY 87.A N ALA 84.A O no hydrogen 3.053 N/A SER 88.A OG ARG 132.A O no hydrogen 3.034 N/A LEU 89.A N LEU 134.A O no hydrogen 2.922 N/A ARG 92.A N SER 88.A O no hydrogen 3.389 N/A ARG 92.A NE LEU 86.A O no hydrogen 2.706 N/A LEU 93.A N LEU 89.A O no hydrogen 2.843 N/A ARG 94.A N LEU 90.A O no hydrogen 3.171 N/A ARG 94.A NE GLY 196.A O no hydrogen 2.925 N/A ARG 94.A NH2 GLY 196.A O no hydrogen 3.177 N/A LYS 95.A N ASP 91.A O no hydrogen 3.080 N/A HIS 96.A N ARG 92.A O no hydrogen 3.038 N/A GLN 97.A N LEU 93.A O no hydrogen 2.964 N/A GLN 97.A NE2 ARG 94.A O no hydrogen 2.596 N/A HIS 99.A N HIS 96.A O no hydrogen 3.002 N/A PHE 100.A N GLN 97.A O no hydrogen 3.085 N/A LEU 105.A N LEU 101.A O no hydrogen 3.227 N/A SER 106.A N LEU 102.A O no hydrogen 3.115 N/A ARG 107.A N GLY 103.A O no hydrogen 3.127 N/A TYR 108.A N THR 104.A O no hydrogen 2.971 N/A TYR 108.A OH ARG 139.A O no hydrogen 2.689 N/A ALA 109.A N LEU 105.A O no hydrogen 2.861 N/A VAL 110.A N SER 106.A O no hydrogen 2.953 N/A GLN 111.A N ARG 107.A O no hydrogen 2.984 N/A GLN 111.A NE2 ASP 140.A O no hydrogen 2.856 N/A VAL 112.A N TYR 108.A O no hydrogen 3.020 N/A ALA 113.A N ALA 109.A O no hydrogen 3.051 N/A GLU 114.A N VAL 110.A O no hydrogen 2.929 N/A GLY 115.A N GLN 111.A O no hydrogen 2.927 N/A MET 116.A N VAL 112.A O no hydrogen 2.923 N/A GLY 117.A N ALA 113.A O no hydrogen 2.878 N/A TYR 118.A N GLU 114.A O no hydrogen 3.115 N/A TYR 118.A N GLY 115.A O no hydrogen 3.153 N/A LEU 119.A N GLY 115.A O no hydrogen 3.108 N/A GLU 120.A N MET 116.A O no hydrogen 2.904 N/A SER 121.A N GLY 117.A O no hydrogen 3.153 N/A SER 121.A OG TYR 118.A O no hydrogen 2.528 N/A LYS 122.A N TYR 118.A O no hydrogen 3.219 N/A LYS 122.A NZ TYR 118.A OH no hydrogen 2.763 N/A ARG 123.A N GLU 120.A O no hydrogen 3.054 N/A PHE 124.A N LEU 119.A O no hydrogen 2.915 N/A ILE 125.A N ARG 151.A O no hydrogen 3.191 N/A HIS 126.A N ASP 181.A OD2 no hydrogen 2.793 N/A HIS 126.A NE2 GLY 145.A O no hydrogen 3.024 N/A ARG 127.A N ASP 181.A OD1 no hydrogen 3.041 N/A ARG 127.A NE LEU 149.A O no hydrogen 2.887 N/A ARG 127.A NH1 LEU 149.A O no hydrogen 3.146 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.029 N/A ALA 131.A N GLU 191.A OE1 no hydrogen 2.884 N/A ASN 133.A N ALA 130.A O no hydrogen 2.964 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.852 N/A LEU 134.A N ALA 131.A O no hydrogen 3.098 N/A LEU 135.A N LYS 143.A O no hydrogen 3.004 N/A LEU 136.A N GLY 87.A O no hydrogen 2.884 N/A ALA 137.A N LEU 141.A O no hydrogen 2.800 N/A THR 138.A N LEU 141.A O no hydrogen 3.437 N/A ASP 140.A N THR 138.A OG1 no hydrogen 3.084 N/A LEU 141.A N THR 138.A O no hydrogen 3.297 N/A VAL 142.A N GLN 111.A OE1 no hydrogen 2.899 N/A LYS 143.A N LEU 135.A O no hydrogen 2.787 N/A LYS 143.A NZ ARG 63.A O no hydrogen 3.486 N/A LYS 143.A NZ GLU 82.A OE2 no hydrogen 2.583 N/A ILE 144.A N ASN 64.A O no hydrogen 2.968 N/A GLY 145.A N ASN 133.A O no hydrogen 2.922 N/A GLY 148.A N ASP 146.A OD2 no hydrogen 3.427 N/A MET 150.A N PHE 147.A O no hydrogen 3.178 N/A ARG 151.A N ILE 125.A O no hydrogen 3.172 N/A ARG 151.A NH1 MET 150.A O no hydrogen 3.254 N/A LEU 153.A N ARG 123.A O no hydrogen 3.063 N/A TYR 158.A N PHE 176.A O no hydrogen 3.072 N/A MET 160.A N ARG 174.A O no hydrogen 3.273 N/A TRP 165.A N PRO 162.A O no hydrogen 3.016 N/A TRP 165.A NE1 GLU 191.A OE1 no hydrogen 2.883 N/A CYS 166.A N PHE 163.A O no hydrogen 3.298 N/A CYS 166.A SG PRO 162.A O no hydrogen 3.266 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.734 N/A SER 170.A N ALA 167.A O no hydrogen 2.985 N/A SER 170.A OG THR 175.A O no hydrogen 2.744 N/A LEU 171.A N ALA 167.A O no hydrogen 3.054 N/A LYS 172.A N PRO 168.A O no hydrogen 2.911 N/A LYS 172.A NZ ASP 213.A OD1 no hydrogen 3.168 N/A LYS 172.A NZ ASP 213.A OD2 no hydrogen 3.559 N/A THR 173.A N GLU 169.A O no hydrogen 3.015 N/A THR 173.A OG1 GLU 169.A O no hydrogen 3.110 N/A THR 173.A OG1 THR 175.A OG1 no hydrogen 2.493 N/A THR 175.A N GLU 169.A O no hydrogen 3.319 N/A THR 175.A OG1 THR 173.A O no hydrogen 3.326 N/A THR 175.A OG1 THR 173.A OG1 no hydrogen 2.493 N/A PHE 176.A N TYR 158.A O no hydrogen 2.993 N/A SER 177.A N SER 180.A OG no hydrogen 2.837 N/A SER 180.A N SER 177.A O no hydrogen 3.281 N/A SER 180.A N SER 177.A OG no hydrogen 3.214 N/A SER 180.A OG SER 177.A O no hydrogen 2.946 N/A ASP 181.A N SER 177.A O no hydrogen 3.162 N/A THR 182.A N HIS 178.A O no hydrogen 3.044 N/A THR 182.A OG1 HIS 178.A O no hydrogen 3.432 N/A THR 182.A OG1 PRO 245.A O no hydrogen 3.044 N/A TRP 183.A N ALA 179.A O no hydrogen 3.110 N/A MET 184.A N SER 180.A O no hydrogen 3.219 N/A PHE 185.A N ASP 181.A O no hydrogen 2.996 N/A GLY 186.A N THR 182.A O no hydrogen 3.189 N/A VAL 187.A N TRP 183.A O no hydrogen 3.235 N/A THR 188.A N MET 184.A O no hydrogen 2.917 N/A THR 188.A OG1 MET 184.A O no hydrogen 2.926 N/A LEU 189.A N PHE 185.A O no hydrogen 2.917 N/A TRP 190.A N GLY 186.A O no hydrogen 2.978 N/A TRP 190.A NE1 PRO 220.A O no hydrogen 2.858 N/A GLU 191.A N VAL 187.A O no hydrogen 2.875 N/A MET 192.A N THR 188.A O no hydrogen 3.018 N/A PHE 193.A N LEU 189.A O no hydrogen 3.005 N/A THR 194.A N TRP 190.A O no hydrogen 3.081 N/A THR 194.A OG1 TRP 190.A O no hydrogen 2.642 N/A THR 194.A OG1 GLU 191.A O no hydrogen 3.196 N/A TYR 195.A N MET 192.A O no hydrogen 3.134 N/A GLY 196.A N GLU 191.A O no hydrogen 2.726 N/A GLN 197.A N THR 194.A OG1 no hydrogen 3.301 N/A LEU 203.A N TRP 200.A O no hydrogen 3.064 N/A ASN 204.A N GLN 207.A OE1 no hydrogen 2.759 N/A SER 206.A N ASN 204.A OD1 no hydrogen 3.226 N/A GLN 207.A N ASN 204.A OD1 no hydrogen 3.102 N/A ILE 208.A N ASN 204.A O no hydrogen 3.124 N/A LEU 209.A N GLY 205.A O no hydrogen 3.203 N/A HIS 210.A N SER 206.A O no hydrogen 3.125 N/A LYS 211.A N GLN 207.A O no hydrogen 2.976 N/A ILE 212.A N ILE 208.A O no hydrogen 2.847 N/A ASP 213.A N LEU 209.A O no hydrogen 2.793 N/A LYS 214.A N HIS 210.A O no hydrogen 2.930 N/A GLU 215.A N HIS 210.A O no hydrogen 3.151 N/A GLU 217.A N LYS 211.A O no hydrogen 2.855 N/A ARG 218.A NE TRP 237.A O no hydrogen 3.009 N/A ARG 218.A NH1 ILE 212.A O no hydrogen 3.007 N/A ARG 218.A NH1 GLU 217.A O no hydrogen 2.931 N/A ARG 218.A NH2 TRP 237.A O no hydrogen 2.997 N/A CYS 225.A N PRO 222.A O no hydrogen 2.978 N/A CYS 225.A SG PRO 226.A O no hydrogen 3.432 N/A GLN 227.A NE2 ASN 231.A OD1 no hydrogen 2.753 N/A TYR 230.A N PRO 226.A O no hydrogen 3.069 N/A TYR 230.A OH LEU 219.A O no hydrogen 2.900 N/A ASN 231.A N GLN 227.A O no hydrogen 2.713 N/A VAL 232.A N ASP 228.A O no hydrogen 3.356 N/A MET 233.A N ILE 229.A O no hydrogen 3.226 N/A VAL 234.A N TYR 230.A O no hydrogen 3.009 N/A GLN 235.A N ASN 231.A O no hydrogen 3.146 N/A CYS 236.A N VAL 232.A O no hydrogen 3.150 N/A CYS 236.A SG VAL 232.A O no hydrogen 3.390 N/A TRP 237.A N MET 233.A O no hydrogen 3.116 N/A TRP 237.A N VAL 234.A O no hydrogen 3.169 N/A ALA 238.A N GLN 235.A O no hydrogen 3.360 N/A HIS 239.A NE2 ASP 213.A OD1 no hydrogen 3.218 N/A ASP 243.A N LYS 240.A O no hydrogen 2.975 N/A ARG 244.A N PRO 241.A O no hydrogen 3.076 N/A ARG 244.A NE ALA 179.A O no hydrogen 3.308 N/A ARG 244.A NH1 GLU 169.A OE1 no hydrogen 3.411 N/A ARG 244.A NH1 ALA 238.A O no hydrogen 2.984 N/A ARG 244.A NH2 GLU 169.A OE1 no hydrogen 3.448 N/A ARG 244.A NH2 GLU 169.A OE2 no hydrogen 2.560 N/A ARG 244.A NH2 ALA 179.A O no hydrogen 3.180 N/A PHE 247.A N GLU 120.A OE1 no hydrogen 3.283 N/A PHE 247.A N GLU 120.A OE2 no hydrogen 3.506 N/A ALA 249.A N THR 246.A OG1 no hydrogen 3.100 N/A LEU 250.A N THR 246.A O no hydrogen 3.018 N/A ARG 251.A N PHE 247.A O no hydrogen 2.884 N/A ASP 252.A N VAL 248.A O no hydrogen 3.149 N/A PHE 253.A N ALA 249.A O no hydrogen 2.777 N/A LEU 254.A N LEU 250.A O no hydrogen 2.952 N/A LEU 255.A N ARG 251.A O no hydrogen 3.105 N/A GLU 256.A N ASP 252.A O no hydrogen 3.053 N/A ALA 257.A N PHE 253.A O no hydrogen 3.295 N/A ALA 257.A N LEU 254.A O no hydrogen 3.295 N/A GLN 258.A N LEU 254.A O no hydrogen 3.207 N/A