Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 33.A OD2 no hydrogen 3.200 N/A LEU 4.A N ASP 33.A OD2 no hydrogen 3.247 N/A HIS 5.A ND1 ASN 2.A OD1 no hydrogen 3.118 N/A GLU 6.A N THR 3.A O no hydrogen 2.745 N/A PHE 7.A N LEU 4.A O no hydrogen 2.868 N/A LYS 8.A N GLU 85.A O no hydrogen 2.785 N/A LYS 9.A N ASP 222.A OD1 no hydrogen 2.856 N/A SER 10.A N LEU 83.A O no hydrogen 2.920 N/A SER 10.A OG LEU 83.A O no hydrogen 3.553 N/A THR 13.A OG1 SER 10.A O no hydrogen 3.280 N/A THR 13.A OG1 ALA 11.A O no hydrogen 2.758 N/A THR 14.A OG1 LEU 15.A O no hydrogen 3.331 N/A THR 16.A N LYS 74.A O no hydrogen 3.344 N/A THR 16.A OG1 LYS 17.A O no hydrogen 2.548 N/A LEU 22.A N PRO 20.A O no hydrogen 2.369 N/A LYS 27.A N CYS 61.A O no hydrogen 3.328 N/A VAL 29.A N LYS 59.A O no hydrogen 2.970 N/A ASN 30.A N GLU 34.A OE1 no hydrogen 2.961 N/A GLU 34.A N SER 31.A OG no hydrogen 3.201 N/A CYS 35.A SG SER 31.A O no hydrogen 3.791 N/A ALA 36.A N ALA 32.A O no hydrogen 2.924 N/A ASN 37.A N ASP 33.A O no hydrogen 3.012 N/A ASN 37.A ND2 ASP 33.A O no hydrogen 2.545 N/A ARG 38.A N GLU 34.A O no hydrogen 3.485 N/A ARG 38.A NE ARG 43.A O no hydrogen 2.294 N/A CYS 39.A N CYS 35.A O no hydrogen 2.924 N/A CYS 39.A SG CYS 49.A O no hydrogen 3.716 N/A ILE 40.A N ALA 36.A O no hydrogen 2.913 N/A ARG 41.A N ASN 37.A O no hydrogen 2.928 N/A ASN 42.A N ARG 38.A O no hydrogen 2.806 N/A ASN 42.A N CYS 39.A O no hydrogen 3.297 N/A ASN 42.A ND2 ILE 40.A O no hydrogen 3.301 N/A CYS 49.A N ASN 42.A OD1 no hydrogen 3.326 N/A CYS 49.A SG ALA 51.A O no hydrogen 3.362 N/A CYS 49.A SG TYR 64.A O no hydrogen 3.839 N/A LYS 50.A N TYR 64.A O no hydrogen 3.177 N/A ALA 51.A N TYR 64.A O no hydrogen 3.503 N/A PHE 52.A N TYR 84.A O no hydrogen 3.123 N/A VAL 53.A N TYR 62.A O no hydrogen 3.123 N/A PHE 54.A N ASP 82.A O no hydrogen 3.033 N/A ASP 55.A N ARG 60.A O no hydrogen 2.807 N/A LYS 56.A N GLU 80.A O no hydrogen 2.775 N/A SER 57.A N ASP 55.A OD1 no hydrogen 3.222 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 3.037 N/A ARG 58.A N ASP 55.A OD1 no hydrogen 3.251 N/A LYS 59.A NZ ASN 30.A O no hydrogen 3.216 N/A ARG 60.A NE THR 26.A OG1 no hydrogen 3.142 N/A CYS 61.A N LYS 27.A O no hydrogen 3.244 N/A TYR 62.A N VAL 53.A O no hydrogen 2.918 N/A TRP 63.A N LYS 25.A O no hydrogen 2.886 N/A TRP 63.A NE1 CYS 35.A O no hydrogen 3.300 N/A TYR 64.A N ALA 51.A O no hydrogen 3.104 N/A ASN 67.A N SER 70.A OG no hydrogen 3.044 N/A SER 68.A N GLU 85.A OE2 no hydrogen 2.945 N/A SER 68.A OG GLU 85.A OE2 no hydrogen 3.019 N/A MET 69.A N ASN 67.A OD1 no hydrogen 2.808 N/A SER 70.A N ASN 67.A O no hydrogen 2.701 N/A GLY 78.A N LYS 12.A O no hydrogen 3.121 N/A PHE 81.A N GLY 78.A O no hydrogen 3.024 N/A ASP 82.A N PHE 54.A O no hydrogen 3.094 N/A LEU 83.A N SER 10.A O no hydrogen 3.159 N/A TYR 84.A N PHE 52.A O no hydrogen 2.931 N/A GLU 85.A N LYS 8.A O no hydrogen 3.112 N/A ASN 86.A N LYS 50.A O no hydrogen 2.755 N/A LYS 87.A N GLU 6.A O no hydrogen 3.184 N/A LYS 87.A NZ HIS 5.A O no hydrogen 3.173 N/A LYS 87.A NZ ASP 189.A OD1 no hydrogen 2.656 N/A LYS 87.A NZ ASN 223.A OD1 no hydrogen 3.020 N/A ASP 88.A N ASN 86.A OD1 no hydrogen 2.806 N/A TYR 89.A N ASN 86.A O no hydrogen 3.408 N/A ILE 90.A N LYS 87.A O no hydrogen 3.352 N/A ARG 91.A N LYS 87.A O no hydrogen 3.145 N/A ARG 91.A NH2 ASP 189.A OD1 no hydrogen 2.949 N/A ILE 94.A N PRO 169.A O no hydrogen 3.011 N/A LYS 97.A NZ GLY 147.A O no hydrogen 3.283 N/A GLY 98.A N ILE 95.A O no hydrogen 3.196 N/A TYR 101.A N GLY 98.A O no hydrogen 3.433 N/A LYS 102.A N ASP 88.A O no hydrogen 2.818 N/A LYS 102.A NZ GLY 134.A O no hydrogen 3.379 N/A VAL 105.A N TYR 101.A OH no hydrogen 3.185 N/A THR 108.A N ILE 112.A O no hydrogen 3.002 N/A THR 108.A OG1 SER 110.A OG no hydrogen 3.421 N/A THR 108.A OG1 GLU 164.A OE1 no hydrogen 2.863 N/A LYS 109.A N VAL 165.A O no hydrogen 2.914 N/A SER 110.A N GLU 164.A OE2 no hydrogen 2.967 N/A SER 110.A OG THR 108.A OG1 no hydrogen 3.421 N/A SER 110.A OG GLU 164.A OE1 no hydrogen 2.956 N/A SER 110.A OG GLU 164.A OE2 no hydrogen 2.896 N/A GLY 111.A N THR 108.A O no hydrogen 2.802 N/A ILE 112.A N THR 108.A OG1 no hydrogen 3.238 N/A CYS 114.A N SER 106.A O no hydrogen 3.044 N/A GLN 115.A N PHE 155.A O no hydrogen 2.707 N/A GLN 115.A NE2 SER 119.A O no hydrogen 3.105 N/A GLN 115.A NE2 HIS 123.A O no hydrogen 2.935 N/A TRP 117.A N GLU 139.A O no hydrogen 3.158 N/A TRP 117.A NE1 TYR 141.A O no hydrogen 3.042 N/A SER 119.A N PRO 116.A O no hydrogen 3.223 N/A SER 119.A OG ILE 121.A O no hydrogen 2.898 N/A ILE 121.A N SER 119.A OG no hydrogen 2.922 N/A HIS 123.A N GLN 115.A OE1 no hydrogen 2.880 N/A HIS 123.A NE2 ASN 158.A O no hydrogen 3.108 N/A HIS 125.A NE2 SER 119.A O no hydrogen 2.754 N/A PHE 127.A N HIS 125.A ND1 no hydrogen 3.086 N/A LEU 128.A N SER 126.A O no hydrogen 2.938 N/A SER 131.A N LEU 128.A O no hydrogen 3.061 N/A SER 131.A OG LEU 128.A O no hydrogen 3.496 N/A TYR 132.A N LEU 128.A O no hydrogen 3.379 N/A LYS 135.A N TYR 132.A O no hydrogen 3.313 N/A ASN 140.A ND2 CYS 114.A O no hydrogen 2.649 N/A TYR 141.A N GLN 138.A O no hydrogen 3.277 N/A CYS 142.A N VAL 105.A O no hydrogen 2.877 N/A CYS 142.A SG VAL 105.A O no hydrogen 3.305 N/A ARG 143.A N TRP 153.A O no hydrogen 3.103 N/A ARG 143.A NE CYS 142.A O no hydrogen 2.723 N/A ARG 143.A NH1 ASP 136.A O no hydrogen 2.728 N/A ASN 144.A ND2 LYS 97.A O no hydrogen 2.767 N/A ASN 144.A ND2 GLU 148.A O no hydrogen 3.062 N/A GLY 147.A N ASN 144.A O no hydrogen 3.200 N/A GLU 148.A N ASN 144.A OD1 no hydrogen 3.232 N/A GLY 151.A N GLU 148.A O no hydrogen 3.400 N/A TRP 153.A N ARG 143.A O no hydrogen 2.988 N/A CYS 154.A N GLU 164.A O no hydrogen 3.162 N/A CYS 154.A SG PHE 155.A O no hydrogen 3.337 N/A THR 156.A N ARG 162.A O no hydrogen 2.828 N/A SER 157.A N LYS 113.A O no hydrogen 3.012 N/A SER 157.A OG LYS 113.A O no hydrogen 2.555 N/A GLU 160.A N ASN 158.A OD1 no hydrogen 2.734 N/A GLU 164.A N CYS 154.A O no hydrogen 3.152 N/A CYS 166.A N PRO 152.A O no hydrogen 2.968 N/A CYS 166.A SG ILE 107.A O no hydrogen 3.707 N/A GLN 170.A N GLU 173.A OE1 no hydrogen 2.848 N/A GLN 170.A NE2 GLY 96.A O no hydrogen 2.732 N/A CYS 171.A N ILE 94.A O no hydrogen 2.964 N/A GLU 173.A N GLN 170.A O no hydrogen 2.645 N/A VAL 174.A N GLN 170.A O no hydrogen 3.047 N/A MET 177.A N LYS 251.A O no hydrogen 2.917 N/A ASN 180.A ND2 GLU 182.A OE2 no hydrogen 3.213 N/A ASN 180.A ND2 LYS 231.A O no hydrogen 3.256 N/A GLY 181.A N THR 178.A O no hydrogen 2.693 N/A GLU 182.A N ASN 180.A OD1 no hydrogen 3.189 N/A TYR 184.A N GLY 181.A O no hydrogen 3.065 N/A ARG 185.A N GLU 175.A OE2 no hydrogen 2.546 N/A ARG 185.A NE TYR 184.A O no hydrogen 2.947 N/A ARG 185.A NH1 ASP 217.A O no hydrogen 2.826 N/A MET 188.A N TYR 184.A OH no hydrogen 3.361 N/A THR 191.A N LYS 195.A O no hydrogen 2.746 N/A THR 191.A OG1 LYS 195.A O no hydrogen 3.505 N/A THR 191.A OG1 GLU 246.A OE2 no hydrogen 2.625 N/A GLU 192.A N TYR 247.A O no hydrogen 2.851 N/A SER 193.A N GLU 246.A OE2 no hydrogen 3.072 N/A SER 193.A OG GLU 246.A OE1 no hydrogen 3.419 N/A SER 193.A OG GLU 246.A OE2 no hydrogen 2.391 N/A GLY 194.A N THR 191.A O no hydrogen 2.782 N/A LYS 195.A N THR 191.A OG1 no hydrogen 2.832 N/A LYS 195.A NZ GLU 246.A OE1 no hydrogen 3.206 N/A THR 196.A OG1 HIS 190.A NE2 no hydrogen 3.309 N/A CYS 197.A N ASP 189.A O no hydrogen 2.864 N/A GLN 198.A N TYR 237.A O no hydrogen 2.579 N/A GLN 198.A NE2 GLN 202.A O no hydrogen 3.064 N/A GLN 198.A NE2 HIS 206.A O no hydrogen 2.928 N/A ARG 199.A NH1 ASP 201.A OD1 no hydrogen 2.980 N/A TRP 200.A N ASP 222.A O no hydrogen 2.929 N/A TRP 200.A NE1 TYR 224.A O no hydrogen 2.809 N/A GLN 202.A N ARG 199.A O no hydrogen 2.964 N/A GLN 203.A NE2 HIS 208.A O no hydrogen 2.915 N/A HIS 206.A N GLN 198.A OE1 no hydrogen 3.088 N/A HIS 206.A ND1 THR 238.A O no hydrogen 3.093 N/A HIS 206.A NE2 PRO 241.A O no hydrogen 3.296 N/A HIS 208.A N GLN 203.A OE1 no hydrogen 2.667 N/A HIS 208.A NE2 GLN 202.A O no hydrogen 2.574 N/A PHE 210.A N HIS 208.A ND1 no hydrogen 3.162 N/A LEU 211.A N LYS 209.A O no hydrogen 3.066 N/A ARG 214.A N LEU 211.A O no hydrogen 2.869 N/A TYR 215.A N PRO 212.A O no hydrogen 3.030 N/A LYS 218.A N TYR 215.A O no hydrogen 3.356 N/A LYS 218.A NZ PRO 228.A O no hydrogen 3.548 N/A ASP 221.A N GLY 219.A O no hydrogen 2.844 N/A ASN 223.A ND2 CYS 197.A O no hydrogen 2.760 N/A TYR 224.A N ASP 221.A O no hydrogen 3.257 N/A TYR 224.A OH ASP 222.A OD2 no hydrogen 3.332 N/A CYS 225.A N MET 188.A O no hydrogen 3.022 N/A CYS 225.A SG MET 188.A O no hydrogen 3.351 N/A CYS 225.A SG HIS 190.A O no hydrogen 3.900 N/A ARG 226.A N TRP 235.A O no hydrogen 3.009 N/A ARG 226.A NE GLY 219.A O no hydrogen 2.670 N/A ARG 226.A NH1 GLY 186.A O no hydrogen 3.003 N/A ARG 226.A NH1 CYS 225.A O no hydrogen 2.975 N/A ARG 226.A NH2 ARG 185.A O no hydrogen 3.237 N/A ARG 226.A NH2 GLY 219.A O no hydrogen 3.501 N/A ASN 227.A ND2 ASN 180.A O no hydrogen 2.590 N/A ASN 227.A ND2 LYS 231.A O no hydrogen 2.899 N/A ASP 229.A N ASP 229.A OD1 no hydrogen 2.510 N/A LYS 231.A NZ ASP 229.A OD2 no hydrogen 2.519 N/A TRP 235.A N ARG 226.A O no hydrogen 2.606 N/A TRP 235.A NE1 ASP 229.A OD1 no hydrogen 2.749 N/A CYS 236.A N GLU 246.A O no hydrogen 3.127 N/A CYS 236.A SG GLU 246.A O no hydrogen 3.907 N/A THR 238.A N PRO 244.A O no hydrogen 3.024 N/A THR 238.A OG1 ASP 240.A O no hydrogen 3.362 N/A THR 238.A OG1 THR 243.A O no hydrogen 2.457 N/A LEU 239.A N THR 196.A O no hydrogen 2.951 N/A THR 243.A N ASP 240.A O no hydrogen 3.099 N/A THR 243.A OG1 ASP 240.A OD2 no hydrogen 3.352 N/A GLU 246.A N CYS 236.A O no hydrogen 3.134 N/A CYS 248.A N PRO 234.A O no hydrogen 3.010 N/A CYS 248.A SG HIS 190.A O no hydrogen 3.794 N/A LYS 251.A N SER 172.A O no hydrogen 2.894 N/A CYS 253.A N MET 177.A O no hydrogen 2.743 N/A CYS 253.A SG MET 177.A O no hydrogen 3.506 N/A