Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4etw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 GLN 69.A OE1 no hydrogen 3.147 N/A TRP 3.A N SER 51.A OG no hydrogen 2.876 N/A GLN 5.A N LEU 42.A O no hydrogen 2.860 N/A THR 6.A OG1 HIS 41.A ND1 no hydrogen 3.154 N/A LYS 7.A N LEU 40.A O no hydrogen 3.008 N/A LYS 7.A NZ ASP 31.A OD2 no hydrogen 2.996 N/A LYS 7.A NZ GLU 32.A OE2 no hydrogen 3.042 N/A GLN 9.A N SER 35.A O no hydrogen 2.936 N/A GLN 9.A NE2 SER 36.A O no hydrogen 2.843 N/A GLY 10.A N PHE 38.A O no hydrogen 2.777 N/A ASN 11.A N ASN 11.A OD1 no hydrogen 2.664 N/A HIS 13.A ND1 HIS 41.A NE2 no hydrogen 2.617 N/A LEU 14.A N THR 39.A O no hydrogen 2.949 N/A VAL 15.A N ILE 75.A O no hydrogen 2.903 N/A LEU 16.A N HIS 41.A O no hydrogen 2.945 N/A LEU 17.A N LEU 77.A O no hydrogen 2.816 N/A HIS 18.A ND1 GLY 19.A O no hydrogen 2.819 N/A TRP 20.A NE1 LEU 174.A O no hydrogen 2.882 N/A LEU 22.A N GLY 19.A O no hydrogen 3.391 N/A ASN 23.A ND2 THR 162.A O no hydrogen 3.421 N/A ALA 24.A N ASP 44.A OD1 no hydrogen 2.866 N/A GLU 25.A N ASN 23.A OD1 no hydrogen 2.898 N/A VAL 26.A N ASN 23.A O no hydrogen 3.099 N/A TRP 27.A N ALA 24.A O no hydrogen 3.186 N/A ARG 28.A N GLU 25.A O no hydrogen 3.206 N/A ARG 28.A NE GLU 25.A OE1 no hydrogen 2.888 N/A ARG 28.A NH1 GLN 5.A OE1 no hydrogen 2.964 N/A ARG 28.A NH1 ASP 31.A OD2 no hydrogen 2.650 N/A ARG 28.A NH2 GLN 5.A OE1 no hydrogen 2.765 N/A ARG 28.A NH2 GLU 25.A OE2 no hydrogen 3.063 N/A CYS 29.A SG VAL 26.A O no hydrogen 3.759 N/A CYS 29.A SG PHE 236.A O no hydrogen 3.697 N/A ILE 30.A N TRP 27.A O no hydrogen 2.974 N/A LEU 34.A N ILE 30.A O no hydrogen 2.920 N/A SER 35.A N ASP 31.A O no hydrogen 2.831 N/A SER 35.A OG ASP 31.A O no hydrogen 2.933 N/A SER 35.A OG GLU 32.A O no hydrogen 2.824 N/A SER 36.A N GLU 33.A O no hydrogen 3.113 N/A SER 36.A OG GLU 33.A O no hydrogen 2.799 N/A HIS 37.A N LEU 34.A O no hydrogen 2.958 N/A HIS 37.A NE2 GLU 33.A OE2 no hydrogen 2.811 N/A PHE 38.A N LEU 34.A O no hydrogen 2.915 N/A THR 39.A N VAL 12.A O no hydrogen 2.850 N/A THR 39.A OG1 GLY 10.A O no hydrogen 2.641 N/A LEU 40.A N LYS 7.A O no hydrogen 2.667 N/A HIS 41.A N LEU 14.A O no hydrogen 2.815 N/A HIS 41.A ND1 THR 6.A OG1 no hydrogen 3.154 N/A HIS 41.A NE2 HIS 13.A ND1 no hydrogen 2.617 N/A LEU 42.A N GLN 5.A O no hydrogen 2.764 N/A ASP 44.A N TRP 3.A O no hydrogen 3.186 N/A LEU 45.A N HIS 18.A NE2 no hydrogen 2.884 N/A GLY 47.A N SER 51.A O no hydrogen 2.692 N/A PHE 48.A N LEU 45.A O no hydrogen 2.708 N/A ARG 50.A N ASP 44.A OD2 no hydrogen 2.598 N/A ARG 50.A NE ASP 44.A OD2 no hydrogen 2.629 N/A ARG 50.A NH1 GLU 25.A OE2 no hydrogen 2.943 N/A ARG 50.A NH2 GLU 25.A OE2 no hydrogen 3.017 N/A ARG 50.A NH2 ASP 44.A OD1 no hydrogen 3.108 N/A ARG 50.A NH2 ASP 44.A OD2 no hydrogen 3.234 N/A SER 51.A N PHE 48.A O no hydrogen 2.916 N/A SER 51.A OG ASP 44.A O no hydrogen 2.631 N/A ARG 52.A NH2 MET 168.A O no hydrogen 3.514 N/A ASP 61.A N SER 58.A OG no hydrogen 2.942 N/A MET 62.A N SER 58.A O no hydrogen 2.759 N/A ALA 63.A N LEU 59.A O no hydrogen 2.885 N/A GLU 64.A N ALA 60.A O no hydrogen 3.119 N/A ALA 65.A N ASP 61.A O no hydrogen 2.994 N/A VAL 66.A N MET 62.A O no hydrogen 3.008 N/A LEU 67.A N ALA 63.A O no hydrogen 2.818 N/A GLN 68.A N GLU 64.A O no hydrogen 3.200 N/A GLN 68.A N ALA 65.A O no hydrogen 3.297 N/A ALA 70.A N LEU 67.A O no hydrogen 3.097 N/A LYS 73.A NZ GLU 95.A O no hydrogen 2.854 N/A ALA 74.A N ARG 96.A O no hydrogen 3.221 N/A ILE 75.A N HIS 13.A O no hydrogen 2.856 N/A TRP 76.A N ALA 99.A O no hydrogen 2.893 N/A LEU 77.A N VAL 15.A O no hydrogen 2.887 N/A GLY 78.A N VAL 101.A O no hydrogen 2.867 N/A TRP 79.A N LEU 17.A O no hydrogen 2.843 N/A TRP 79.A NE1 HIS 233.A O no hydrogen 2.810 N/A ALA 80.A N VAL 103.A O no hydrogen 2.864 N/A GLY 82.A N TRP 79.A O no hydrogen 2.837 N/A GLY 83.A N ALA 80.A O no hydrogen 2.801 N/A VAL 85.A N LEU 81.A O no hydrogen 3.280 N/A ALA 86.A N GLY 82.A O no hydrogen 2.804 N/A SER 87.A N GLY 83.A O no hydrogen 2.824 N/A SER 87.A OG GLY 83.A O no hydrogen 2.805 N/A GLN 88.A N LEU 84.A O no hydrogen 2.760 N/A ILE 89.A N VAL 85.A O no hydrogen 3.087 N/A ALA 90.A N ALA 86.A O no hydrogen 2.952 N/A LEU 91.A N SER 87.A O no hydrogen 3.015 N/A THR 92.A N GLN 88.A O no hydrogen 3.030 N/A THR 92.A OG1 GLN 88.A O no hydrogen 3.172 N/A THR 92.A OG1 HIS 93.A ND1 no hydrogen 2.799 N/A HIS 93.A N ILE 89.A O no hydrogen 2.777 N/A HIS 93.A ND1 THR 92.A OG1 no hydrogen 2.799 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.776 N/A ARG 96.A N HIS 93.A O no hydrogen 2.884 N/A ARG 96.A NE ASP 72.A O no hydrogen 2.775 N/A ARG 96.A NH2 PRO 71.A O no hydrogen 2.775 N/A VAL 97.A N PRO 94.A O no hydrogen 3.365 N/A GLN 98.A N ALA 74.A O no hydrogen 2.831 N/A LEU 100.A N PRO 196.A O no hydrogen 2.920 N/A VAL 101.A N TRP 76.A O no hydrogen 2.796 N/A THR 102.A N LEU 198.A O no hydrogen 3.028 N/A VAL 103.A N GLY 78.A O no hydrogen 3.008 N/A ALA 104.A N LEU 200.A O no hydrogen 2.806 N/A SER 105.A OG ALA 80.A O no hydrogen 2.597 N/A SER 106.A OG CYS 108.A O no hydrogen 3.090 N/A CYS 108.A N SER 106.A OG no hydrogen 3.118 N/A CYS 108.A SG SER 110.A O no hydrogen 3.583 N/A CYS 108.A SG VAL 184.A O no hydrogen 3.900 N/A SER 110.A OG LEU 181.A O no hydrogen 3.496 N/A SER 110.A OG LYS 182.A O no hydrogen 3.239 N/A ALA 111.A N ILE 118.A O no hydrogen 2.865 N/A ARG 112.A N TRP 115.A O no hydrogen 2.929 N/A ARG 112.A NH1 ALA 111.A O no hydrogen 3.565 N/A ARG 112.A NH2 LYS 182.A O no hydrogen 3.359 N/A TRP 115.A N ARG 112.A O no hydrogen 2.874 N/A TRP 115.A NE1 CYS 108.A O no hydrogen 2.818 N/A ILE 118.A N PHE 109.A O no hydrogen 2.755 N/A VAL 122.A N LYS 119.A O no hydrogen 2.761 N/A LEU 123.A N LYS 119.A O no hydrogen 2.990 N/A ALA 124.A N PRO 120.A O no hydrogen 2.878 N/A GLY 125.A N ASP 121.A O no hydrogen 2.879 N/A PHE 126.A N VAL 122.A O no hydrogen 2.902 N/A GLN 127.A N LEU 123.A O no hydrogen 2.931 N/A GLN 127.A NE2 ASN 175.A OD1 no hydrogen 3.118 N/A GLN 128.A N GLY 125.A O no hydrogen 3.239 N/A GLN 129.A N GLY 125.A O no hydrogen 3.114 N/A LEU 130.A N PHE 126.A O no hydrogen 2.901 N/A SER 131.A OG GLN 127.A O no hydrogen 3.016 N/A ASP 132.A N GLN 128.A O no hydrogen 2.741 N/A PHE 134.A N ASP 132.A O no hydrogen 2.910 N/A THR 137.A N ASP 133.A O no hydrogen 3.245 N/A THR 137.A OG1 ASP 133.A O no hydrogen 2.944 N/A VAL 138.A N PHE 134.A O no hydrogen 2.836 N/A GLU 139.A N GLN 135.A O no hydrogen 2.605 N/A ARG 140.A N ARG 136.A O no hydrogen 2.984 N/A PHE 141.A N THR 137.A O no hydrogen 2.892 N/A LEU 142.A N VAL 138.A O no hydrogen 3.163 N/A ALA 143.A N GLU 139.A O no hydrogen 3.324 N/A LEU 144.A N ARG 140.A O no hydrogen 2.823 N/A GLN 145.A N PHE 141.A O no hydrogen 3.149 N/A GLN 145.A N LEU 142.A O no hydrogen 3.274 N/A THR 146.A N ALA 143.A O no hydrogen 3.124 N/A THR 146.A OG1 ALA 143.A O no hydrogen 3.481 N/A THR 146.A OG1 ALA 152.A O no hydrogen 2.799 N/A THR 149.A OG1 THR 146.A O no hydrogen 2.751 N/A THR 151.A OG1 ASP 155.A OD2 no hydrogen 2.725 N/A ALA 152.A N THR 149.A O no hydrogen 3.130 N/A ASP 155.A N THR 151.A O no hydrogen 3.041 N/A ALA 156.A N ALA 152.A O no hydrogen 3.022 N/A ARG 157.A N ARG 153.A O no hydrogen 2.973 N/A ALA 158.A N GLN 154.A O no hydrogen 2.868 N/A LEU 159.A N ASP 155.A O no hydrogen 2.984 N/A LYS 160.A N ALA 156.A O no hydrogen 2.810 N/A LYS 161.A N ARG 157.A O no hydrogen 2.991 N/A THR 162.A N ALA 158.A O no hydrogen 3.326 N/A THR 162.A OG1 ALA 158.A O no hydrogen 3.458 N/A VAL 163.A N LEU 159.A O no hydrogen 3.076 N/A LEU 164.A N LYS 160.A O no hydrogen 2.847 N/A ALA 165.A N LYS 161.A O no hydrogen 2.874 N/A ALA 165.A N THR 162.A O no hydrogen 3.067 N/A LEU 174.A N GLU 170.A O no hydrogen 3.117 N/A ASN 175.A N VAL 171.A O no hydrogen 2.899 N/A GLY 176.A N ASP 172.A O no hydrogen 2.966 N/A GLY 177.A N VAL 173.A O no hydrogen 3.016 N/A LEU 178.A N LEU 174.A O no hydrogen 3.200 N/A GLU 179.A N ASN 175.A O no hydrogen 3.092 N/A ILE 180.A N GLY 176.A O no hydrogen 3.158 N/A LEU 181.A N GLY 177.A O no hydrogen 3.190 N/A LYS 182.A N LEU 178.A O no hydrogen 2.765 N/A THR 183.A N GLU 179.A O no hydrogen 3.096 N/A THR 183.A N ILE 180.A O no hydrogen 3.226 N/A THR 183.A OG1 GLU 179.A O no hydrogen 3.013 N/A VAL 184.A N ILE 180.A O no hydrogen 2.903 N/A LEU 186.A N PRO 107.A O no hydrogen 2.702 N/A ARG 187.A N ASP 185.A OD1 no hydrogen 3.079 N/A ARG 187.A NE ASP 185.A OD1 no hydrogen 3.219 N/A ARG 187.A NE ASP 185.A OD2 no hydrogen 3.431 N/A ARG 187.A NH2 ASP 185.A OD2 no hydrogen 2.880 N/A LEU 190.A N LEU 186.A O no hydrogen 3.146 N/A GLN 191.A N GLN 188.A O no hydrogen 3.070 N/A ASN 192.A N PRO 189.A O no hydrogen 3.178 N/A VAL 193.A N LEU 190.A O no hydrogen 3.405 N/A LEU 198.A N LEU 100.A O no hydrogen 2.835 N/A ARG 199.A N GLU 224.A O no hydrogen 2.805 N/A ARG 199.A NE SER 223.A OG no hydrogen 2.936 N/A ARG 199.A NH1 TYR 201.A OH no hydrogen 2.829 N/A ARG 199.A NH2 ASP 217.A OD1 no hydrogen 2.663 N/A ARG 199.A NH2 SER 223.A OG no hydrogen 2.748 N/A LEU 200.A N THR 102.A O no hydrogen 2.721 N/A TYR 201.A N TYR 226.A O no hydrogen 2.922 N/A TYR 203.A N PHE 228.A O no hydrogen 3.003 N/A LEU 204.A N ALA 231.A O no hydrogen 2.841 N/A ASP 205.A N GLY 202.A O no hydrogen 3.109 N/A LEU 207.A N ASP 205.A OD1 no hydrogen 2.775 N/A ARG 210.A NH1 TYR 203.A O no hydrogen 3.093 N/A VAL 212.A N PRO 209.A O no hydrogen 2.973 N/A VAL 213.A N ARG 210.A O no hydrogen 2.888 N/A LEU 216.A N VAL 212.A O no hydrogen 2.749 N/A ASP 217.A N VAL 213.A O no hydrogen 2.790 N/A LYS 218.A N PRO 214.A O no hydrogen 3.127 N/A LEU 219.A N MET 215.A O no hydrogen 2.927 N/A TRP 220.A N LEU 216.A O no hydrogen 2.749 N/A TRP 220.A NE1 ARG 187.A O no hydrogen 2.961 N/A SER 223.A N TRP 220.A O no hydrogen 2.666 N/A SER 223.A OG TRP 220.A O no hydrogen 2.752 N/A GLU 224.A N PHE 197.A O no hydrogen 2.906 N/A SER 225.A OG ASP 217.A OD1 no hydrogen 2.523 N/A SER 225.A OG ASP 217.A OD2 no hydrogen 3.289 N/A TYR 226.A N ARG 199.A O no hydrogen 2.950 N/A TYR 226.A OH GLU 242.A OE1 no hydrogen 1.931 N/A PHE 228.A N TYR 201.A O no hydrogen 2.729 N/A LYS 230.A NZ GLU 150.A OE2 no hydrogen 3.100 N/A ALA 231.A N PHE 228.A O no hydrogen 3.240 N/A HIS 233.A N GLN 145.A O no hydrogen 2.970 N/A HIS 233.A ND1 ASP 205.A OD2 no hydrogen 2.576 N/A ILE 237.A N ALA 234.A O no hydrogen 2.993 N/A SER 238.A N ALA 234.A O no hydrogen 3.169 N/A SER 238.A OG PRO 235.A O no hydrogen 3.540 N/A SER 238.A OG HIS 239.A ND1 no hydrogen 2.594 N/A HIS 239.A N PRO 235.A O no hydrogen 2.673 N/A HIS 239.A ND1 SER 238.A OG no hydrogen 2.594 N/A PHE 243.A N HIS 239.A O no hydrogen 2.951 N/A CYS 244.A N PRO 240.A O no hydrogen 2.939 N/A CYS 244.A SG PRO 240.A O no hydrogen 3.329 N/A HIS 245.A N ALA 241.A O no hydrogen 2.976 N/A LEU 246.A N GLU 242.A O no hydrogen 3.072 N/A LEU 247.A N PHE 243.A O no hydrogen 3.240 N/A VAL 248.A N CYS 244.A O no hydrogen 2.982 N/A ALA 249.A N HIS 245.A O no hydrogen 3.128 N/A LEU 250.A N LEU 246.A O no hydrogen 2.926 N/A LYS 251.A N LEU 247.A O no hydrogen 2.967 N/A LYS 251.A NZ ASN 11.A OD1 no hydrogen 2.870 N/A LYS 251.A NZ HIS 37.A O no hydrogen 2.698 N/A GLN 252.A N ALA 249.A O no hydrogen 3.198 N/A ARG 253.A N LEU 250.A O no hydrogen 2.846 N/A VAL 254.A N LYS 251.A O no hydrogen 3.055 N/A LEU 255.A N LYS 251.A O no hydrogen 3.144 N/A