Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 ALA 2.A O no hydrogen 3.282 N/A PHE 3.A N SER 43.A OG no hydrogen 3.313 N/A THR 4.A N ILE 93.A O no hydrogen 2.990 N/A VAL 5.A N ARG 44.A O no hydrogen 2.847 N/A VAL 6.A N VAL 95.A O no hydrogen 2.874 N/A ILE 7.A N VAL 46.A O no hydrogen 2.812 N/A ALA 9.A N ALA 48.A O no hydrogen 2.889 N/A TYR 11.A N ASP 50.A OD1 no hydrogen 2.971 N/A SER 13.A OG LEU 16.A O no hydrogen 3.131 N/A LEU 16.A N SER 13.A OG no hydrogen 2.867 N/A LYS 19.A N TYR 11.A O no hydrogen 3.212 N/A LYS 19.A NZ ASP 100.A OD2 no hydrogen 2.847 N/A LYS 19.A NZ VAL 237.A O no hydrogen 2.873 N/A LYS 19.A NZ ASP 238.A OD1 no hydrogen 3.023 N/A LEU 21.A N GLY 18.A O no hydrogen 2.852 N/A GLN 22.A N LYS 19.A O no hydrogen 3.149 N/A GLN 22.A NE2 PRO 17.A O no hydrogen 2.848 N/A ILE 24.A N GLN 27.A O no hydrogen 2.712 N/A GLY 26.A N ASP 23.A OD2 no hydrogen 3.208 N/A GLN 27.A N ILE 24.A O no hydrogen 3.363 N/A MET 29.A N GLN 22.A O no hydrogen 2.795 N/A ILE 30.A N PRO 20.A O no hydrogen 2.984 N/A ARG 32.A N PRO 28.A O no hydrogen 3.232 N/A ARG 32.A NE ILE 24.A O no hydrogen 3.037 N/A ARG 32.A NH2 ILE 24.A O no hydrogen 3.055 N/A VAL 33.A N MET 29.A O no hydrogen 3.014 N/A TRP 34.A N ILE 30.A O no hydrogen 2.969 N/A ASN 35.A N GLN 31.A O no hydrogen 2.848 N/A ASN 35.A ND2 GLN 27.A OE1 no hydrogen 2.966 N/A GLN 36.A N ARG 32.A O no hydrogen 3.148 N/A GLN 36.A NE2 ILE 104.A O no hydrogen 2.768 N/A ALA 37.A N VAL 33.A O no hydrogen 2.930 N/A ARG 38.A N TRP 34.A O no hydrogen 2.905 N/A ARG 38.A NH2 ASN 35.A OD1 no hydrogen 2.950 N/A LYS 39.A N GLN 36.A O no hydrogen 3.067 N/A LYS 39.A NZ GLN 36.A OE1 no hydrogen 2.739 N/A SER 40.A N ALA 37.A O no hydrogen 2.982 N/A SER 40.A OG ALA 37.A O no hydrogen 2.744 N/A ALA 41.A N ASP 110.A OD1 no hydrogen 2.674 N/A ALA 42.A N SER 40.A OG no hydrogen 3.105 N/A SER 43.A N PHE 3.A O no hydrogen 2.821 N/A SER 43.A OG PHE 3.A O no hydrogen 3.480 N/A ARG 44.A NE GLU 64.A OE1 no hydrogen 2.952 N/A ARG 44.A NH2 GLU 64.A OE1 no hydrogen 3.518 N/A ARG 44.A NH2 GLU 64.A OE2 no hydrogen 2.593 N/A VAL 46.A N VAL 5.A O no hydrogen 2.886 N/A VAL 47.A N GLU 64.A O no hydrogen 2.878 N/A ALA 48.A N ILE 7.A O no hydrogen 2.882 N/A THR 49.A N LEU 66.A O no hydrogen 2.915 N/A THR 49.A OG1 ALA 9.A O no hydrogen 2.703 N/A ASP 51.A N THR 49.A OG1 no hydrogen 3.393 N/A ARG 53.A N ASP 51.A OD1 no hydrogen 2.820 N/A ARG 53.A NE ASP 51.A OD1 no hydrogen 2.893 N/A ARG 53.A NH1 ASP 51.A OD2 no hydrogen 2.859 N/A LEU 55.A N ASP 51.A O no hydrogen 3.098 N/A ALA 56.A N GLU 52.A O no hydrogen 2.843 N/A ALA 57.A N ARG 53.A O no hydrogen 3.040 N/A CYS 58.A N ILE 54.A O no hydrogen 2.899 N/A CYS 58.A SG ILE 54.A O no hydrogen 3.314 N/A GLN 59.A N LEU 55.A O no hydrogen 3.016 N/A GLY 60.A N ALA 56.A O no hydrogen 2.914 N/A PHE 61.A N ALA 57.A O no hydrogen 3.175 N/A PHE 61.A N CYS 58.A O no hydrogen 3.079 N/A GLY 62.A N GLN 59.A O no hydrogen 3.169 N/A ALA 63.A N CYS 58.A O no hydrogen 2.986 N/A LEU 66.A N VAL 47.A O no hydrogen 2.785 N/A THR 68.A N THR 49.A O no hydrogen 2.647 N/A THR 68.A OG1 THR 49.A O no hydrogen 2.957 N/A THR 68.A OG1 ARG 69.A O no hydrogen 3.419 N/A ARG 69.A N GLU 81.A OE1 no hydrogen 3.105 N/A HIS 72.A NE2 GLU 81.A OE1 no hydrogen 2.519 N/A SER 74.A OG ASP 77.A OD2 no hydrogen 2.481 N/A SER 74.A OG GLU 213.A OE1 no hydrogen 3.330 N/A THR 76.A N GLU 213.A OE1 no hydrogen 3.142 N/A THR 76.A OG1 TYR 190.A OH no hydrogen 3.427 N/A THR 76.A OG1 GLU 213.A OE1 no hydrogen 3.071 N/A ASP 77.A N SER 74.A OG no hydrogen 3.219 N/A ARG 78.A N SER 74.A O no hydrogen 3.291 N/A ARG 78.A NH1 ARG 69.A O no hydrogen 3.333 N/A LEU 79.A N GLY 75.A O no hydrogen 3.126 N/A GLU 80.A N THR 76.A O no hydrogen 2.930 N/A GLU 81.A N ASP 77.A O no hydrogen 3.211 N/A VAL 82.A N ARG 78.A O no hydrogen 3.219 N/A ALA 83.A N LEU 79.A O no hydrogen 2.877 N/A SER 84.A N GLU 80.A O no hydrogen 2.981 N/A SER 84.A OG GLU 80.A O no hydrogen 3.121 N/A SER 84.A OG GLU 80.A OE2 no hydrogen 2.746 N/A ARG 85.A N GLU 81.A O no hydrogen 2.967 N/A ARG 85.A NH1 LEU 67.A O no hydrogen 2.706 N/A ARG 85.A NH1 GLU 81.A OE2 no hydrogen 2.867 N/A ARG 85.A NH2 LEU 67.A O no hydrogen 3.175 N/A LEU 86.A N VAL 82.A O no hydrogen 2.888 N/A GLY 87.A N SER 84.A O no hydrogen 3.078 N/A LEU 88.A N ALA 83.A O no hydrogen 3.171 N/A ALA 92.A N ALA 89.A O no hydrogen 2.946 N/A VAL 94.A N TYR 190.A O no hydrogen 2.972 N/A VAL 95.A N THR 4.A O no hydrogen 2.766 N/A ASN 96.A N TYR 188.A O no hydrogen 3.031 N/A VAL 97.A N VAL 6.A O no hydrogen 2.959 N/A GLY 99.A N PRO 8.A O no hydrogen 2.959 N/A GLU 101.A N GLN 98.A O no hydrogen 3.207 N/A ILE 104.A N GLU 101.A O no hydrogen 3.162 N/A LEU 108.A N PRO 105.A O no hydrogen 3.024 N/A ASP 110.A N PRO 106.A O no hydrogen 3.116 N/A GLN 111.A N ALA 107.A O no hydrogen 2.873 N/A GLN 111.A NE2 ASP 228.A O no hydrogen 2.897 N/A VAL 112.A N LEU 108.A O no hydrogen 3.214 N/A ALA 113.A N ILE 109.A O no hydrogen 3.395 N/A ALA 114.A N ASP 110.A O no hydrogen 2.853 N/A ASN 115.A N GLN 111.A O no hydrogen 2.867 N/A LEU 116.A N VAL 112.A O no hydrogen 3.028 N/A ALA 117.A N ALA 113.A O no hydrogen 3.229 N/A ALA 118.A N ALA 114.A O no hydrogen 3.090 N/A HIS 119.A N LEU 116.A O no hydrogen 3.018 N/A HIS 119.A ND1 GLU 121.A OE2 no hydrogen 2.884 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.625 N/A ALA 122.A N HIS 119.A O no hydrogen 2.862 N/A ALA 123.A N ARG 223.A O no hydrogen 3.127 N/A ALA 125.A N ALA 189.A O no hydrogen 2.874 N/A THR 126.A N HIS 225.A O no hydrogen 2.759 N/A THR 126.A OG1 HIS 184.A NE2 no hydrogen 2.817 N/A THR 126.A OG1 ILE 187.A O no hydrogen 2.670 N/A LEU 127.A N THR 126.A OG1 no hydrogen 2.838 N/A ALA 128.A N ALA 227.A O no hydrogen 2.792 N/A GLU 129.A N ARG 183.A O no hydrogen 2.814 N/A ILE 131.A N TYR 181.A O no hydrogen 3.041 N/A ALA 136.A N GLU 133.A O no hydrogen 3.062 N/A LEU 137.A N GLU 133.A O no hydrogen 3.378 N/A PHE 138.A N VAL 134.A O no hydrogen 3.254 N/A ASN 139.A N ALA 136.A O no hydrogen 3.192 N/A ASN 141.A N ASN 139.A OD1 no hydrogen 2.907 N/A VAL 142.A N ASN 139.A O no hydrogen 2.836 N/A LYS 144.A N SER 157.A O no hydrogen 2.767 N/A LYS 144.A NZ LEU 137.A O no hydrogen 2.872 N/A LYS 144.A NZ VAL 142.A O no hydrogen 2.728 N/A LYS 144.A NZ ARG 158.A O no hydrogen 2.844 N/A VAL 145.A N ARG 182.A O no hydrogen 3.156 N/A ALA 146.A N THR 155.A O no hydrogen 3.222 N/A THR 147.A OG1 ASP 148.A O no hydrogen 3.188 N/A ASP 148.A N LEU 152.A O no hydrogen 2.746 N/A ASP 150.A N ASP 148.A OD1 no hydrogen 2.790 N/A GLY 151.A N ASP 148.A O no hydrogen 2.961 N/A LEU 152.A N ASP 148.A OD1 no hydrogen 2.947 N/A ALA 153.A N ILE 224.A O no hydrogen 2.819 N/A LEU 154.A N ALA 146.A O no hydrogen 2.624 N/A THR 155.A OG1 PHE 156.A O no hydrogen 3.482 N/A SER 157.A N LYS 144.A O no hydrogen 2.874 N/A SER 157.A OG GLU 210.A OE1 no hydrogen 3.491 N/A SER 157.A OG GLU 210.A OE2 no hydrogen 2.721 N/A ARG 158.A N GLU 210.A OE1 no hydrogen 2.899 N/A ARG 158.A NE GLU 210.A O no hydrogen 2.631 N/A ARG 158.A NH1 PRO 140.A O no hydrogen 2.945 N/A ARG 158.A NH2 SER 211.A O no hydrogen 3.090 N/A ALA 159.A N SER 157.A OG no hydrogen 2.990 N/A PHE 168.A N ALA 164.A O no hydrogen 2.836 N/A ALA 169.A N ARG 165.A O no hydrogen 3.165 N/A ARG 170.A N ASP 166.A O no hydrogen 3.189 N/A ARG 170.A N ALA 167.A O no hydrogen 3.096 N/A ASP 171.A N ALA 167.A O no hydrogen 2.812 N/A ARG 172.A NE PHE 168.A O no hydrogen 3.573 N/A ASP 173.A N ASP 171.A OD1 no hydrogen 2.957 N/A VAL 179.A N PRO 176.A O no hydrogen 3.421 N/A TYR 181.A N VAL 179.A O no hydrogen 2.922 N/A TYR 181.A OH PRO 162.A O no hydrogen 2.864 N/A ARG 182.A NE ASP 228.A OD1 no hydrogen 2.753 N/A ARG 182.A NE ASP 228.A OD2 no hydrogen 3.405 N/A ARG 182.A NH1 TYR 181.A O no hydrogen 2.971 N/A ARG 182.A NH2 ASP 228.A OD2 no hydrogen 3.031 N/A ARG 183.A N GLU 129.A O no hydrogen 2.718 N/A ARG 183.A NE GLU 129.A OE2 no hydrogen 2.789 N/A HIS 184.A N VAL 143.A O no hydrogen 2.873 N/A HIS 184.A NE2 THR 126.A OG1 no hydrogen 2.817 N/A ILE 185.A N LEU 127.A O no hydrogen 2.780 N/A ILE 187.A N ILE 185.A O no hydrogen 2.728 N/A ALA 189.A N ALA 125.A O no hydrogen 2.828 N/A TYR 190.A N VAL 94.A O no hydrogen 2.832 N/A TYR 190.A OH THR 76.A OG1 no hydrogen 3.427 N/A ARG 191.A N ALA 123.A O no hydrogen 3.012 N/A ARG 191.A NH2.A LEU 116.A O no hydrogen 2.752 N/A ARG 191.A NH2.A HIS 119.A O no hydrogen 3.053 N/A ARG 191.A NH2.B ASP 91.A O no hydrogen 2.650 N/A VAL 192.A N ALA 92.A O no hydrogen 2.942 N/A GLY 193.A N SER 90.A O no hydrogen 2.787 N/A PHE 194.A N ARG 191.A O no hydrogen 2.972 N/A LEU 195.A N VAL 192.A O no hydrogen 2.825 N/A ASP 197.A N GLY 193.A O no hydrogen 3.373 N/A PHE 198.A N PHE 194.A O no hydrogen 2.813 N/A VAL 199.A N LEU 195.A O no hydrogen 3.087 N/A ALA 200.A N ALA 196.A O no hydrogen 3.043 N/A TRP 201.A N ASP 197.A O no hydrogen 2.904 N/A GLY 202.A N PHE 198.A O no hydrogen 3.307 N/A CYS 204.A N GLU 207.A OE1 no hydrogen 3.121 N/A CYS 204.A SG GLU 207.A OE1 no hydrogen 3.867 N/A ASN 208.A N CYS 204.A O no hydrogen 3.005 N/A ALA 209.A N TRP 205.A O no hydrogen 2.855 N/A GLU 210.A N LEU 206.A O no hydrogen 3.184 N/A LEU 212.A N GLU 207.A O no hydrogen 3.073 N/A GLN 214.A N GLN 214.A OE1 no hydrogen 2.782 N/A LEU 215.A N LEU 212.A O no hydrogen 3.114 N/A ARG 216.A N GLU 213.A O no hydrogen 3.082 N/A ARG 216.A NE GLU 207.A OE1 no hydrogen 2.844 N/A ARG 216.A NH1 PHE 198.A O no hydrogen 2.929 N/A ARG 216.A NH2 GLU 207.A OE1 no hydrogen 3.483 N/A ARG 216.A NH2 GLU 207.A OE2 no hydrogen 2.765 N/A TRP 219.A N LEU 215.A O no hydrogen 2.820 N/A HIS 220.A N ARG 216.A O no hydrogen 3.105 N/A GLY 221.A N LEU 218.A O no hydrogen 2.988 N/A VAL 222.A N ALA 217.A O no hydrogen 2.976 N/A HIS 225.A N ILE 124.A O no hydrogen 2.799 N/A VAL 226.A N GLY 151.A O no hydrogen 2.753 N/A ALA 227.A N THR 126.A O no hydrogen 3.170 N/A ALA 229.A N ALA 128.A O no hydrogen 2.757 N/A ARG 230.A N GLN 111.A OE1 no hydrogen 2.850 N/A VAL 237.A N ASP 100.A O no hydrogen 2.907 N/A ASP 238.A N ASP 242.A OD2 no hydrogen 2.896 N/A THR 239.A N ASP 242.A OD2 no hydrogen 3.165 N/A ASP 242.A N THR 239.A OG1 no hydrogen 3.145 N/A LEU 243.A N THR 239.A O no hydrogen 3.183 N/A GLU 244.A N PRO 240.A O no hydrogen 3.106 N/A ARG 245.A N GLU 241.A O no hydrogen 3.045 N/A ARG 245.A NH1 PRO 235.A O no hydrogen 3.463 N/A ARG 245.A NH1 GLY 236.A O no hydrogen 2.923 N/A ARG 245.A NH1 ASP 242.A OD1 no hydrogen 2.958 N/A ARG 245.A NH2 PRO 235.A O no hydrogen 3.062 N/A VAL 246.A N ASP 242.A O no hydrogen 2.980 N/A ARG 247.A N LEU 243.A O no hydrogen 2.829 N/A ARG 247.A NE ASP 23.A O no hydrogen 2.932 N/A ARG 247.A NH1 GLU 244.A OE2 no hydrogen 2.754 N/A ARG 247.A NH2 ASP 23.A O no hydrogen 2.940 N/A ARG 248.A N GLU 244.A O no hydrogen 3.126 N/A ARG 248.A NE GLY 252.A OXT no hydrogen 3.019 N/A ARG 248.A NH1 GLU 244.A OE1 no hydrogen 3.370 N/A ARG 248.A NH1 GLU 244.A OE2 no hydrogen 3.194 N/A ARG 248.A NH1 GLY 252.A O no hydrogen 3.150 N/A ARG 248.A NH2 GLU 244.A OE1 no hydrogen 3.045 N/A VAL 249.A N ARG 245.A O no hydrogen 3.382 N/A LEU 250.A N VAL 246.A O no hydrogen 3.139 N/A LEU 250.A N ARG 247.A O no hydrogen 3.042 N/A GLY 251.A N ARG 248.A O no hydrogen 3.248 N/A GLY 252.A N ARG 247.A O no hydrogen 2.776 N/A