Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iex_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 83.A OG no hydrogen 3.092 N/A ALA 4.A N ASP 85.A OD1 no hydrogen 3.203 N/A ASN 8.A N ASN 5.A OD1 no hydrogen 2.842 N/A ASN 8.A ND2 THR 3.A O no hydrogen 2.926 N/A VAL 9.A N ASN 5.A O no hydrogen 2.930 N/A LYS 10.A N ILE 6.A O no hydrogen 2.790 N/A LYS 11.A N GLU 7.A O no hydrogen 2.998 N/A LYS 11.A NZ GLU 7.A O no hydrogen 3.562 N/A VAL 12.A N ASN 8.A O no hydrogen 3.027 N/A ALA 13.A N VAL 9.A O no hydrogen 2.772 N/A HIS 14.A N LYS 10.A O no hydrogen 2.740 N/A HIS 15.A N LYS 11.A O no hydrogen 2.870 N/A ILE 16.A N VAL 12.A O no hydrogen 2.939 N/A GLN 17.A N ALA 13.A O no hydrogen 2.804 N/A LYS 18.A N HIS 14.A O no hydrogen 3.023 N/A LYS 18.A N HIS 15.A O no hydrogen 3.159 N/A LEU 19.A N ILE 16.A O no hydrogen 2.738 N/A ILE 22.A N THR 20.A OG1 no hydrogen 3.147 N/A GLU 25.A N LYS 68.A O no hydrogen 2.858 N/A ILE 26.A N LYS 68.A O no hydrogen 3.150 N/A GLY 27.A N ILE 101.A O no hydrogen 2.762 N/A ILE 28.A N VAL 70.A O no hydrogen 2.810 N/A ILE 29.A N MET 103.A O no hydrogen 2.821 N/A CYS 30.A N MET 72.A O no hydrogen 3.399 N/A GLY 31.A N SER 105.A OG no hydrogen 2.878 N/A LEU 34.A N GLY 31.A O no hydrogen 2.952 N/A LYS 38.A N THR 63.A O no hydrogen 2.828 N/A ILE 41.A N PHE 61.A O no hydrogen 2.983 N/A ILE 43.A N LEU 59.A O no hydrogen 2.802 N/A TYR 45.A N GLY 57.A O no hydrogen 2.578 N/A TYR 45.A OH ASN 58.A O no hydrogen 3.416 N/A TYR 45.A OH GLY 74.A O no hydrogen 2.558 N/A LYS 47.A N PRO 44.A O no hydrogen 2.812 N/A ILE 48.A N TYR 45.A O no hydrogen 3.000 N/A PHE 51.A N ILE 48.A O no hydrogen 3.028 N/A THR 54.A OG1 ARG 75.A O no hydrogen 3.516 N/A THR 54.A OG1 TYR 82.A OH no hydrogen 3.170 N/A SER 56.A OG GLY 57.A O no hydrogen 3.134 N/A GLY 57.A N THR 54.A O no hydrogen 2.732 N/A ASN 58.A N GLN 73.A O no hydrogen 2.518 N/A ASN 58.A ND2 GLN 73.A OE1 no hydrogen 2.966 N/A LEU 59.A N ILE 43.A O no hydrogen 2.639 N/A ILE 60.A N VAL 71.A O no hydrogen 2.781 N/A PHE 61.A N ILE 41.A O no hydrogen 2.981 N/A GLY 62.A N VAL 69.A O no hydrogen 3.088 N/A THR 63.A N LYS 38.A O no hydrogen 2.684 N/A LEU 64.A N ARG 67.A O no hydrogen 2.826 N/A SER 65.A OG GLU 267.A O no hydrogen 2.505 N/A ARG 67.A N LEU 64.A O no hydrogen 2.864 N/A ARG 67.A NE GLU 25.A OE1 no hydrogen 2.990 N/A ARG 67.A NH1 PRO 274.A O no hydrogen 3.139 N/A VAL 69.A N GLY 62.A O no hydrogen 2.857 N/A VAL 70.A N ILE 26.A O no hydrogen 2.855 N/A VAL 71.A N ILE 60.A O no hydrogen 2.550 N/A MET 72.A N ILE 28.A O no hydrogen 2.668 N/A GLN 73.A N ASN 58.A O no hydrogen 2.732 N/A ARG 75.A NE GLU 215.A OE1 no hydrogen 2.882 N/A ARG 75.A NH1 SER 105.A O no hydrogen 2.832 N/A ARG 75.A NH2 GLU 215.A OE1 no hydrogen 3.287 N/A GLU 80.A N HIS 77.A O no hydrogen 2.857 N/A GLY 81.A N MET 78.A O no hydrogen 2.969 N/A TYR 82.A OH GLN 53.A O no hydrogen 3.322 N/A TYR 82.A OH THR 54.A OG1 no hydrogen 3.170 N/A SER 83.A OG SER 1.A OG no hydrogen 3.092 N/A SER 83.A OG THR 86.A OG1 no hydrogen 3.023 N/A THR 86.A N SER 83.A OG no hydrogen 2.936 N/A THR 86.A OG1 SER 83.A OG no hydrogen 3.023 N/A VAL 87.A N SER 83.A O no hydrogen 3.055 N/A ALA 88.A N ASN 84.A O no hydrogen 2.765 N/A LEU 89.A N ASP 85.A O no hydrogen 2.822 N/A ARG 92.A N ALA 88.A O no hydrogen 2.935 N/A ARG 92.A NH1 ALA 4.A O no hydrogen 2.790 N/A ARG 92.A NH2 HIS 221.A ND1 no hydrogen 3.320 N/A VAL 93.A N LEU 89.A O no hydrogen 2.629 N/A MET 94.A N PRO 90.A O no hydrogen 2.820 N/A LYS 95.A N ILE 91.A O no hydrogen 2.951 N/A LYS 95.A NZ CYS 222.A O no hydrogen 2.796 N/A LEU 96.A N ARG 92.A O no hydrogen 3.049 N/A LEU 97.A N VAL 93.A O no hydrogen 2.733 N/A GLY 98.A N MET 94.A O no hydrogen 2.982 N/A GLY 98.A N LYS 95.A O no hydrogen 3.060 N/A VAL 99.A N MET 94.A O no hydrogen 3.002 N/A LYS 100.A N GLU 25.A O no hydrogen 2.626 N/A ILE 101.A N GLU 25.A O no hydrogen 3.136 N/A LEU 102.A N GLN 225.A O no hydrogen 2.603 N/A MET 103.A N GLY 27.A O no hydrogen 2.702 N/A VAL 104.A N PHE 227.A O no hydrogen 2.793 N/A SER 105.A N ILE 29.A O no hydrogen 3.199 N/A SER 105.A OG SER 32.A O no hydrogen 3.129 N/A ASN 106.A N VAL 229.A O no hydrogen 2.900 N/A ASN 106.A ND2 THR 212.A OG1 no hydrogen 2.704 N/A ALA 108.A N LEU 231.A O no hydrogen 2.872 N/A GLY 109.A N VAL 208.A O no hydrogen 2.766 N/A GLY 110.A N ASN 234.A O no hydrogen 2.576 N/A LEU 111.A N ASP 206.A O no hydrogen 2.797 N/A ASN 112.A N ASP 206.A O no hydrogen 2.925 N/A ASN 112.A ND2 ASP 206.A OD1 no hydrogen 2.959 N/A ARG 113.A NE LEU 111.A O no hydrogen 2.762 N/A ARG 113.A NH1 SER 236.A O no hydrogen 3.131 N/A ARG 113.A NH2 GLY 110.A O no hydrogen 2.765 N/A ARG 113.A NH2 LEU 111.A O no hydrogen 3.092 N/A ARG 113.A NH2 SER 236.A O no hydrogen 2.777 N/A SER 114.A N ASN 112.A OD1 no hydrogen 2.739 N/A SER 114.A OG ASN 112.A OD1 no hydrogen 2.687 N/A LEU 115.A N ASN 112.A O no hydrogen 2.966 N/A LYS 116.A N ASP 119.A OD2 no hydrogen 2.776 N/A GLY 118.A N VAL 232.A O no hydrogen 2.712 N/A ASP 119.A N LYS 116.A O no hydrogen 3.057 N/A PHE 120.A N LEU 177.A O no hydrogen 2.824 N/A VAL 121.A N SER 230.A O no hydrogen 2.661 N/A ILE 122.A N HIS 179.A O no hydrogen 2.662 N/A LEU 123.A N ALA 228.A O no hydrogen 2.655 N/A LYS 124.A N GLY 181.A O no hydrogen 2.949 N/A HIS 126.A N ASP 125.A OD1 no hydrogen 2.783 N/A HIS 126.A ND1 TYR 157.A OH no hydrogen 2.741 N/A ILE 127.A N TYR 183.A O no hydrogen 2.815 N/A LEU 132.A N TYR 128.A O no hydrogen 2.801 N/A GLY 133.A N LEU 129.A O no hydrogen 3.082 N/A GLY 133.A N PRO 130.A O no hydrogen 3.072 N/A ASN 135.A N PRO 130.A O no hydrogen 2.712 N/A ILE 137.A N TYR 128.A OH no hydrogen 2.944 N/A LEU 138.A N ASN 136.A OD1 no hydrogen 2.754 N/A VAL 139.A N ASN 136.A O no hydrogen 2.911 N/A ASN 142.A ND2 GLY 147.A O no hydrogen 2.768 N/A GLN 143.A NE2 PRO 141.A O no hydrogen 3.496 N/A PHE 146.A N GLN 143.A O no hydrogen 2.856 N/A GLY 147.A N GLN 143.A O no hydrogen 3.191 N/A ARG 149.A NE ARG 149.A O no hydrogen 2.779 N/A ARG 149.A NH1 GLY 140.A O no hydrogen 2.776 N/A ARG 149.A NH2 LEU 138.A O no hydrogen 2.927 N/A ARG 149.A NH2 GLY 140.A O no hydrogen 3.130 N/A ALA 156.A N LEU 153.A O no hydrogen 3.279 N/A TYR 157.A OH HIS 126.A ND1 no hydrogen 2.741 N/A ASP 158.A N VAL 226.A O no hydrogen 3.077 N/A LEU 161.A N ASP 158.A OD2 no hydrogen 2.828 N/A ARG 162.A N ASP 158.A O no hydrogen 2.908 N/A ARG 162.A NE TYR 157.A O no hydrogen 2.881 N/A LYS 163.A N ARG 159.A O no hydrogen 2.816 N/A LEU 164.A N ASP 160.A O no hydrogen 2.891 N/A ALA 165.A N LEU 161.A O no hydrogen 2.743 N/A VAL 166.A N ARG 162.A O no hydrogen 2.930 N/A GLN 167.A N LYS 163.A O no hydrogen 2.863 N/A VAL 168.A N LEU 164.A O no hydrogen 2.778 N/A ALA 169.A N ALA 165.A O no hydrogen 2.908 N/A GLU 170.A N VAL 166.A O no hydrogen 2.816 N/A GLU 171.A N GLN 167.A O no hydrogen 2.920 N/A ASN 172.A N VAL 168.A O no hydrogen 3.056 N/A GLY 173.A N GLU 170.A O no hydrogen 3.318 N/A PHE 174.A N ALA 169.A O no hydrogen 2.967 N/A LEU 177.A N PHE 174.A O no hydrogen 2.933 N/A VAL 178.A N GLY 175.A O no hydrogen 3.242 N/A HIS 179.A N PHE 120.A O no hydrogen 2.619 N/A GLY 181.A N ILE 122.A O no hydrogen 2.828 N/A VAL 182.A N ASP 206.A OD2 no hydrogen 2.547 N/A TYR 183.A N ASP 125.A O no hydrogen 3.026 N/A TYR 183.A OH SER 211.A O no hydrogen 2.950 N/A VAL 184.A N VAL 207.A O no hydrogen 2.805 N/A MET 185.A N ILE 127.A O no hydrogen 3.001 N/A ASN 186.A N GLY 209.A O no hydrogen 2.644 N/A ASN 186.A ND2 CYS 190.A O no hydrogen 3.039 N/A ASN 186.A ND2 GLU 192.A OE2 no hydrogen 2.714 N/A GLY 188.A N ASN 186.A OD1 no hydrogen 2.877 N/A THR 193.A N GLU 196.A OE1 no hydrogen 2.889 N/A GLU 196.A N THR 193.A OG1 no hydrogen 2.939 N/A CYS 197.A N THR 193.A O no hydrogen 2.867 N/A CYS 197.A SG THR 193.A O no hydrogen 3.302 N/A CYS 197.A SG VAL 237.A O no hydrogen 3.817 N/A THR 198.A N PRO 194.A O no hydrogen 2.919 N/A THR 198.A OG1 PRO 194.A O no hydrogen 2.900 N/A MET 199.A N ALA 195.A O no hydrogen 2.981 N/A LEU 200.A N GLU 196.A O no hydrogen 2.731 N/A LEU 201.A N CYS 197.A O no hydrogen 2.747 N/A ASN 202.A N THR 198.A O no hydrogen 2.932 N/A MET 203.A N MET 199.A O no hydrogen 2.864 N/A GLY 204.A N LEU 201.A O no hydrogen 2.813 N/A CYS 205.A N LEU 200.A O no hydrogen 3.095 N/A CYS 205.A SG LEU 200.A O no hydrogen 3.303 N/A ASP 206.A N VAL 182.A O no hydrogen 2.779 N/A VAL 207.A N VAL 182.A O no hydrogen 3.093 N/A VAL 208.A N GLY 109.A O no hydrogen 2.959 N/A GLY 209.A N VAL 184.A O no hydrogen 2.988 N/A SER 211.A N TYR 183.A OH no hydrogen 3.025 N/A SER 211.A OG THR 212.A OG1 no hydrogen 2.666 N/A THR 212.A OG1 SER 211.A OG no hydrogen 2.666 N/A ILE 213.A N SER 211.A O no hydrogen 2.788 N/A GLU 215.A N GLU 215.A OE2 no hydrogen 2.822 N/A VAL 216.A N THR 212.A O no hydrogen 2.790 N/A VAL 217.A N ILE 213.A O no hydrogen 2.729 N/A ILE 218.A N PRO 214.A O no hydrogen 2.997 N/A ALA 219.A N GLU 215.A O no hydrogen 2.700 N/A ARG 220.A N VAL 216.A O no hydrogen 2.769 N/A ARG 220.A NH1 ILE 224.A O no hydrogen 2.740 N/A HIS 221.A N VAL 217.A O no hydrogen 2.830 N/A HIS 221.A NE2 ASN 142.A OD1 no hydrogen 2.725 N/A CYS 222.A N ILE 218.A O no hydrogen 3.139 N/A CYS 222.A SG ILE 218.A O no hydrogen 3.368 N/A CYS 222.A SG ALA 219.A O no hydrogen 3.577 N/A GLY 223.A N ARG 220.A O no hydrogen 2.870 N/A ILE 224.A N ALA 219.A O no hydrogen 2.700 N/A GLN 225.A N LYS 100.A O no hydrogen 2.849 N/A PHE 227.A N LEU 102.A O no hydrogen 2.728 N/A VAL 229.A N VAL 104.A O no hydrogen 2.876 N/A SER 230.A N VAL 121.A O no hydrogen 2.702 N/A SER 230.A OG ASN 106.A OD1 no hydrogen 2.705 N/A LEU 231.A N ASN 106.A O no hydrogen 2.731 N/A VAL 232.A N ASP 119.A O no hydrogen 2.826 N/A THR 233.A N ALA 108.A O no hydrogen 3.020 N/A THR 233.A OG1 ALA 108.A O no hydrogen 3.412 N/A THR 233.A OG1 ASN 234.A OD1 no hydrogen 3.216 N/A SER 236.A N GLY 110.A O no hydrogen 2.810 N/A GLU 241.A N ASP 239.A OD2 no hydrogen 2.968 N/A SER 242.A N ASP 239.A O no hydrogen 3.086 N/A LEU 244.A N SER 242.A OG no hydrogen 3.074 N/A VAL 251.A N ASN 247.A O no hydrogen 2.794 N/A LEU 252.A N HIS 248.A O no hydrogen 2.680 N/A ALA 253.A N GLU 249.A O no hydrogen 2.939 N/A THR 254.A N GLU 250.A O no hydrogen 2.815 N/A THR 254.A OG1 GLU 250.A O no hydrogen 3.022 N/A GLY 255.A N VAL 251.A O no hydrogen 2.986 N/A ALA 256.A N LEU 252.A O no hydrogen 2.973 N/A GLN 257.A N ALA 253.A O no hydrogen 2.875 N/A ARG 258.A N THR 254.A O no hydrogen 3.144 N/A ARG 258.A N GLY 255.A O no hydrogen 3.009 N/A ARG 258.A NE GLY 118.A O no hydrogen 2.553 N/A ARG 258.A NH2 GLY 118.A O no hydrogen 3.519 N/A ALA 259.A N ALA 256.A O no hydrogen 3.181 N/A MET 262.A N ARG 258.A O no hydrogen 2.801 N/A GLN 263.A N ALA 259.A O no hydrogen 2.616 N/A GLN 263.A NE2 GLU 267.A OE2 no hydrogen 3.171 N/A SER 264.A N GLU 260.A O no hydrogen 2.868 N/A TRP 265.A N LEU 261.A O no hydrogen 2.832 N/A TRP 265.A NE1 ALA 165.A O no hydrogen 2.875 N/A PHE 266.A N MET 262.A O no hydrogen 2.857 N/A GLU 267.A N GLN 263.A O no hydrogen 2.790 N/A LYS 268.A N SER 264.A O no hydrogen 2.751 N/A LYS 268.A NZ SER 264.A OG no hydrogen 2.732 N/A ILE 269.A N TRP 265.A O no hydrogen 2.731 N/A ILE 270.A N PHE 266.A O no hydrogen 2.854 N/A GLU 271.A N GLU 267.A O no hydrogen 2.852 N/A LYS 272.A N LYS 268.A O no hydrogen 3.232 N/A LYS 272.A N ILE 269.A O no hydrogen 2.970 N/A LYS 272.A NZ GLU 171.A OE1 no hydrogen 2.869 N/A LEU 273.A N ILE 270.A O no hydrogen 3.288 N/A LYS 275.A NZ GLU 271.A O no hydrogen 3.184 N/A LYS 275.A NZ LEU 273.A O no hydrogen 3.450 N/A