Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wxp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N TYR 48.A O no hydrogen 2.868 N/A LYS 4.A NZ THR 47.A OG1.B no hydrogen 3.425 N/A ILE 5.A N MET 46.A O no hydrogen 2.925 N/A ARG 6.A N ASP 10.A OD2 no hydrogen 2.885 N/A ARG 6.A NE ASP 9.A OD1 no hydrogen 2.893 N/A ARG 6.A NH1 GLU 45.A OE2 no hydrogen 2.894 N/A TYR 7.A N ALA 44.A O no hydrogen 2.810 N/A ASP 10.A N ARG 6.A O no hydrogen 2.836 N/A GLY 11.A N PRO 8.A O no hydrogen 2.888 N/A ALA 16.A N ILE 30.A O no hydrogen 2.916 N/A ILE 18.A N PHE 28.A O no hydrogen 2.864 N/A LYS 20.A N GLU 27.A OE1 no hydrogen 2.725 N/A GLY 22.A N ASP 19.A O no hydrogen 2.981 N/A ASP 23.A N ASP 19.A OD1 no hydrogen 3.228 N/A GLY 24.A N ASP 19.A OD2 no hydrogen 2.811 N/A ASN 25.A N ASP 23.A OD1 no hydrogen 2.983 N/A GLU 27.A N ILE 18.A O no hydrogen 2.821 N/A TYR 29.A N PHE 80.A O no hydrogen 2.914 N/A ILE 30.A N ALA 16.A O no hydrogen 2.908 N/A GLU 31.A N GLU 78.A O no hydrogen 3.001 N/A ILE 32.A N PRO 14.A O no hydrogen 3.097 N/A ASN 33.A ND2 TYR 76.A O no hydrogen 3.066 N/A ASN 36.A N HIS 74.A O no hydrogen 2.873 N/A ASN 36.A ND2 ASP 68.A O no hydrogen 2.994 N/A ASN 36.A ND2 VAL 73.A O no hydrogen 2.848 N/A ILE 37.A N LEU 34.A O no hydrogen 3.182 N/A LEU 38.A N VAL 65.A O no hydrogen 2.751 N/A ASN 39.A N VAL 65.A O no hydrogen 3.258 N/A THR 41.A N ASP 62.A O no hydrogen 2.843 N/A PHE 43.A N GLN 60.A O no hydrogen 3.038 N/A ALA 44.A N TYR 7.A O no hydrogen 2.916 N/A GLU 45.A N VAL 58.A O no hydrogen 2.788 N/A MET 46.A N ILE 5.A O no hydrogen 2.912 N/A THR 47.A N.A HIS 56.A O no hydrogen 2.882 N/A THR 47.A N.B HIS 56.A O no hydrogen 2.885 N/A THR 47.A OG1.A HIS 56.A O no hydrogen 3.537 N/A TYR 48.A N LEU 3.A O no hydrogen 2.792 N/A ASN 49.A N VAL 54.A O.A no hydrogen 3.071 N/A ASN 49.A N VAL 54.A O.B no hydrogen 2.857 N/A LEU 50.A N LYS 1.A O no hydrogen 2.826 N/A THR 51.A N.B ASN 49.A OD1 no hydrogen 2.922 N/A SER 52.A N.A ASN 49.A OD1 no hydrogen 2.623 N/A SER 52.A N.B ASN 49.A OD1 no hydrogen 3.485 N/A GLY 53.A N.A ASN 49.A O no hydrogen 2.849 N/A GLY 53.A N.B ASN 49.A O no hydrogen 2.703 N/A LEU 55.A N ILE 256.A O no hydrogen 2.871 N/A HIS 56.A N THR 47.A O.A no hydrogen 2.797 N/A HIS 56.A N THR 47.A O.B no hydrogen 2.805 N/A HIS 56.A NE2 GLU 253.A OE2 no hydrogen 2.646 N/A TYR 57.A N TRP 254.A O no hydrogen 2.844 N/A TYR 57.A OH GLN 59.A OE1 no hydrogen 2.615 N/A VAL 58.A N GLU 45.A O no hydrogen 2.863 N/A GLN 59.A N LEU 252.A O no hydrogen 2.808 N/A GLN 59.A NE2 ALA 250.A O no hydrogen 2.965 N/A GLN 60.A N PHE 43.A O no hydrogen 2.824 N/A LEU 61.A N ALA 250.A O no hydrogen 3.132 N/A ASP 62.A N THR 41.A O no hydrogen 2.953 N/A ASN 63.A ND2 THR 41.A OG1 no hydrogen 2.773 N/A ILE 64.A N THR 248.A O no hydrogen 2.968 N/A VAL 65.A N ASN 39.A O no hydrogen 2.879 N/A ARG 67.A N.A ASN 36.A O no hydrogen 2.796 N/A ARG 67.A N.B ASN 36.A O no hydrogen 2.852 N/A ARG 67.A NH1.B TRP 35.A O no hydrogen 2.826 N/A ARG 67.A NH2.A GLU 12.A OE1 no hydrogen 3.051 N/A ASP 68.A N ASN 36.A OD1 no hydrogen 2.935 N/A ARG 69.A NH1.B PRO 245.A O no hydrogen 3.189 N/A ARG 69.A NH2.B PRO 245.A O no hydrogen 3.085 N/A SER 70.A N ASP 68.A OD1 no hydrogen 2.921 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 2.732 N/A SER 70.A OG ASP 68.A OD2 no hydrogen 3.450 N/A ASN 71.A N ASP 68.A O no hydrogen 2.975 N/A TRP 72.A N ARG 69.A O.A no hydrogen 2.947 N/A TRP 72.A N ARG 69.A O.B no hydrogen 2.946 N/A VAL 73.A N ASN 71.A O no hydrogen 2.858 N/A HIS 74.A N PHE 242.A O no hydrogen 2.804 N/A HIS 74.A NE2 THR 244.A O no hydrogen 2.907 N/A TYR 76.A N ASN 33.A O no hydrogen 2.893 N/A TYR 76.A OH ALA 127.A O no hydrogen 2.781 N/A GLU 78.A N GLU 31.A O no hydrogen 2.931 N/A ILE 79.A N ILE 238.A O no hydrogen 2.905 N/A PHE 80.A N TYR 29.A O no hydrogen 2.836 N/A TYR 81.A N VAL 236.A O no hydrogen 2.902 N/A TYR 81.A OH THR 92.A O no hydrogen 3.374 N/A TYR 81.A OH ILE 96.A O no hydrogen 2.651 N/A GLY 82.A N ALA 91.A O no hydrogen 2.684 N/A ASN 83.A N GLU 234.A O no hydrogen 2.914 N/A ASN 83.A ND2 ARG 138.A O no hydrogen 2.787 N/A ASN 83.A ND2 GLU 234.A OE1 no hydrogen 2.997 N/A LYS 84.A N ASN 89.A O no hydrogen 3.212 N/A LYS 84.A NZ GLU 31.A OE1 no hydrogen 2.704 N/A LYS 84.A NZ GLU 78.A OE2 no hydrogen 2.782 N/A ASN 87.A N LYS 84.A O no hydrogen 3.517 N/A ASN 87.A ND2 GLU 31.A OE1 no hydrogen 3.531 N/A ASN 87.A ND2 GLU 31.A OE2 no hydrogen 2.873 N/A ASN 89.A N ASN 87.A OD1 no hydrogen 2.886 N/A ASN 89.A ND2 GLU 31.A OE2 no hydrogen 2.932 N/A ALA 91.A N GLY 82.A O no hydrogen 2.796 N/A THR 92.A N ASN 25.A OD1 no hydrogen 3.204 N/A THR 92.A OG1 ASN 25.A OD1 no hydrogen 2.727 N/A ASP 93.A N PRO 26.A O no hydrogen 2.988 N/A GLY 94.A N THR 92.A O no hydrogen 3.099 N/A LEU 98.A N ILE 96.A O no hydrogen 2.926 N/A SER 100.A N LEU 233.A O no hydrogen 3.376 N/A SER 100.A OG PRO 97.A O no hydrogen 2.605 N/A SER 100.A OG PRO 99.A O no hydrogen 3.166 N/A VAL 102.A N LEU 231.A O no hydrogen 2.814 N/A SER 103.A N THR 229.A O no hydrogen 3.155 N/A SER 103.A OG THR 229.A O no hydrogen 3.401 N/A ASN 104.A N LYS 101.A O no hydrogen 2.939 N/A LEU 105.A N VAL 102.A O no hydrogen 3.464 N/A THR 106.A OG1 ASP 107.A O no hydrogen 3.046 N/A ASP 107.A N ARG 266.A O no hydrogen 2.781 N/A PHE 108.A N ASP 107.A OD1 no hydrogen 2.806 N/A TYR 109.A N THR 262.A O no hydrogen 2.876 N/A LEU 110.A N ILE 210.A O no hydrogen 2.899 N/A THR 111.A N THR 260.A O no hydrogen 2.848 N/A THR 111.A OG1 THR 209.A OG1 no hydrogen 2.708 N/A ILE 112.A N VAL 208.A O no hydrogen 2.896 N/A SER 113.A N ASN 258.A O.A no hydrogen 2.946 N/A SER 113.A N ASN 258.A O.B no hydrogen 2.989 N/A SER 113.A OG THR 207.A OG1 no hydrogen 2.713 N/A TYR 114.A N GLY 206.A O no hydrogen 2.891 N/A TYR 114.A OH ILE 203.A O no hydrogen 2.707 N/A LYS 115.A N TRP 255.A O no hydrogen 2.917 N/A LYS 115.A NZ GLU 117.A OE2 no hydrogen 3.156 N/A LEU 116.A N LYS 204.A O no hydrogen 2.998 N/A GLU 117.A N GLU 253.A O no hydrogen 2.801 N/A LYS 119.A N HIS 251.A O no hydrogen 2.943 N/A LEU 122.A N LYS 119.A O no hydrogen 3.167 N/A ILE 124.A N ASP 156.A O no hydrogen 2.985 N/A ASN 125.A N GLU 241.A O no hydrogen 2.912 N/A ASN 125.A ND2 GLU 241.A OE1 no hydrogen 2.894 N/A PHE 126.A N TYR 154.A O no hydrogen 2.881 N/A ALA 127.A N GLY 239.A O no hydrogen 2.840 N/A ILE 128.A N ILE 151.A O no hydrogen 2.830 N/A GLU 129.A N GLU 237.A O no hydrogen 2.755 N/A SER 130.A N VAL 149.A O no hydrogen 2.901 N/A SER 130.A OG TYR 212.A OH no hydrogen 2.647 N/A SER 130.A OG ASP 235.A O no hydrogen 2.690 N/A TRP 131.A N ASP 235.A OD1 no hydrogen 3.285 N/A LEU 132.A N GLN 147.A O no hydrogen 2.814 N/A THR 133.A N TYR 232.A O no hydrogen 2.954 N/A THR 133.A OG1 GLU 135.A O no hydrogen 2.930 N/A ARG 134.A N GLU 146.A OE2 no hydrogen 2.751 N/A ARG 134.A NE ASP 145.A OD2 no hydrogen 2.947 N/A ARG 134.A NH1 PRO 226.A O no hydrogen 3.127 N/A ARG 134.A NH1 ASN 227.A O no hydrogen 3.126 N/A ARG 134.A NH2 ASP 145.A O no hydrogen 2.984 N/A ARG 134.A NH2 PRO 226.A O no hydrogen 2.792 N/A ARG 138.A N GLU 234.A OE1 no hydrogen 3.075 N/A ARG 138.A NE GLU 135.A OE2 no hydrogen 2.805 N/A ARG 138.A NH1 GLY 141.A O no hydrogen 2.891 N/A ARG 138.A NH1 GLU 146.A OE1 no hydrogen 2.794 N/A ARG 138.A NH1 GLU 146.A OE2 no hydrogen 3.314 N/A ARG 138.A NH2 GLU 146.A OE2 no hydrogen 2.820 N/A GLY 141.A N PRO 85.A O no hydrogen 2.941 N/A ASN 143.A N GLU 146.A OE1 no hydrogen 2.803 N/A SER 144.A OG.B GLY 191.A O no hydrogen 3.463 N/A GLU 146.A N ASN 143.A O no hydrogen 3.137 N/A GLN 147.A N LEU 132.A O no hydrogen 3.200 N/A GLN 147.A NE2 GLU 193.A OE1 no hydrogen 2.796 N/A GLN 147.A NE2 ALA 219.A O no hydrogen 3.289 N/A ALA 148.A N GLU 193.A O no hydrogen 2.825 N/A VAL 149.A N SER 130.A O no hydrogen 2.862 N/A MET 150.A N VAL 195.A O no hydrogen 2.861 N/A ILE 151.A N ILE 128.A O no hydrogen 2.755 N/A TRP 152.A N PHE 197.A O no hydrogen 2.743 N/A ILE 153.A N PHE 126.A O no hydrogen 2.934 N/A TYR 154.A N PHE 126.A O no hydrogen 3.470 N/A ASP 156.A N ILE 124.A O no hydrogen 2.891 N/A ALA 161.A N TYR 194.A OH no hydrogen 3.185 N/A SER 163.A N.A LYS 187.A O no hydrogen 3.021 N/A SER 163.A N.B LYS 187.A O no hydrogen 2.980 N/A VAL 165.A N VAL 185.A O no hydrogen 2.758 N/A LYS 166.A N VAL 185.A O no hydrogen 3.436 N/A ILE 168.A N PHE 183.A O no hydrogen 2.839 N/A VAL 170.A N ALA 181.A O no hydrogen 2.867 N/A ILE 172.A N VAL 179.A O no hydrogen 2.873 N/A ILE 173.A N THR 209.A O no hydrogen 2.948 N/A VAL 174.A N THR 177.A O no hydrogen 2.998 N/A ASN 175.A N THR 207.A O no hydrogen 2.799 N/A THR 177.A N VAL 174.A O no hydrogen 2.970 N/A VAL 179.A N ILE 172.A O no hydrogen 2.855 N/A ALA 181.A N VAL 170.A O no hydrogen 2.975 N/A PHE 183.A N ILE 168.A O no hydrogen 2.877 N/A GLU 184.A N ARG 198.A O no hydrogen 2.797 N/A VAL 185.A N LYS 166.A O no hydrogen 2.728 N/A TRP 186.A N ALA 196.A O no hydrogen 2.825 N/A TRP 186.A NE1 GLU 184.A OE1 no hydrogen 2.896 N/A LYS 187.A N SER 163.A O.A no hydrogen 2.965 N/A LYS 187.A N SER 163.A O.B no hydrogen 2.944 N/A LYS 187.A NZ ILE 222.A O no hydrogen 2.873 N/A LYS 187.A NZ SER 224.A OG no hydrogen 2.856 N/A ALA 188.A N TYR 194.A O no hydrogen 2.866 N/A ILE 190.A N TRP 192.A O no hydrogen 2.974 N/A GLU 193.A N GLU 146.A O no hydrogen 2.924 N/A TYR 194.A N ALA 188.A O no hydrogen 2.852 N/A VAL 195.A N ALA 148.A O no hydrogen 2.898 N/A ALA 196.A N TRP 186.A O no hydrogen 2.941 N/A PHE 197.A N MET 150.A O no hydrogen 2.821 N/A ARG 198.A N GLU 184.A O no hydrogen 2.808 N/A ARG 198.A NH1 LEU 158.A O no hydrogen 3.215 N/A ARG 198.A NH2 GLU 184.A OE1 no hydrogen 2.812 N/A ILE 199.A N TRP 152.A O no hydrogen 2.965 N/A LYS 200.A N THR 182.A O no hydrogen 2.844 N/A LYS 200.A NZ GLU 167.A OE2 no hydrogen 2.818 N/A LYS 200.A NZ GLU 184.A OE2 no hydrogen 3.301 N/A THR 201.A OG1 THR 201.A O no hydrogen 2.695 N/A ILE 203.A N ILE 153.A O no hydrogen 2.828 N/A GLY 206.A N TYR 114.A O no hydrogen 2.929 N/A THR 207.A N ASN 175.A OD1 no hydrogen 2.935 N/A THR 207.A OG1 SER 113.A OG no hydrogen 2.713 N/A VAL 208.A N ILE 112.A O no hydrogen 2.899 N/A THR 209.A N ILE 173.A O no hydrogen 2.859 N/A THR 209.A OG1 THR 111.A OG1 no hydrogen 2.708 N/A ILE 210.A N LEU 110.A O no hydrogen 2.844 N/A TYR 212.A N PHE 108.A O no hydrogen 2.900 N/A TYR 212.A OH SER 130.A OG no hydrogen 2.647 N/A GLY 213.A N ASP 107.A OD1 no hydrogen 2.737 N/A ALA 214.A N PRO 211.A O no hydrogen 3.272 N/A PHE 215.A N TYR 212.A O no hydrogen 3.044 N/A ILE 216.A N TYR 212.A O no hydrogen 3.125 N/A SER 217.A N GLY 213.A O no hydrogen 2.835 N/A SER 217.A OG GLY 213.A O no hydrogen 2.772 N/A SER 217.A OG LEU 268.A O no hydrogen 3.423 N/A SER 217.A OG SER 270.A O no hydrogen 3.490 N/A ALA 219.A N PHE 215.A O no hydrogen 2.888 N/A ALA 220.A N ILE 216.A O no hydrogen 2.813 N/A ASN 221.A N.A SER 217.A O no hydrogen 3.005 N/A ASN 221.A N.B SER 217.A O no hydrogen 3.015 N/A ILE 222.A N VAL 218.A O no hydrogen 2.992 N/A SER 223.A N ALA 220.A O no hydrogen 3.227 N/A SER 223.A OG GLU 193.A OE1 no hydrogen 2.622 N/A SER 223.A OG GLU 193.A OE2 no hydrogen 3.497 N/A SER 224.A N GLU 193.A OE2 no hydrogen 2.785 N/A LEU 225.A N SER 223.A OG no hydrogen 2.960 N/A TYR 228.A OH GLN 147.A OE1 no hydrogen 2.612 N/A GLU 230.A N ASN 227.A O no hydrogen 3.052 N/A LEU 231.A N TYR 228.A O no hydrogen 3.000 N/A TYR 232.A N THR 133.A O no hydrogen 2.835 N/A LEU 233.A N SER 100.A O no hydrogen 2.879 N/A GLU 234.A N TRP 131.A O no hydrogen 2.911 N/A VAL 236.A N TYR 81.A O no hydrogen 2.863 N/A GLU 237.A N GLU 129.A O no hydrogen 2.756 N/A ILE 238.A N ILE 79.A O no hydrogen 2.813 N/A GLY 239.A N ALA 127.A O no hydrogen 3.073 N/A THR 240.A N PRO 77.A O no hydrogen 3.090 N/A GLU 241.A N ASN 125.A OD1 no hydrogen 2.906 N/A GLY 243.A N PRO 123.A O no hydrogen 2.843 N/A THR 244.A OG1 THR 247.A OG1 no hydrogen 2.871 N/A SER 246.A N THR 244.A OG1 no hydrogen 3.031 N/A THR 247.A N THR 244.A O no hydrogen 3.009 N/A THR 247.A OG1 THR 244.A OG1 no hydrogen 2.871 N/A SER 249.A OG LEU 61.A O no hydrogen 3.514 N/A SER 249.A OG ASP 62.A OD1 no hydrogen 2.637 N/A ALA 250.A N LEU 61.A O no hydrogen 2.821 N/A HIS 251.A NE2 ASP 62.A OD2 no hydrogen 2.810 N/A LEU 252.A N GLN 59.A O no hydrogen 2.896 N/A GLU 253.A N GLU 117.A O no hydrogen 3.045 N/A TRP 254.A N TYR 57.A O no hydrogen 2.987 N/A TRP 254.A NE1 THR 240.A OG1 no hydrogen 2.930 N/A TRP 255.A N LYS 115.A O no hydrogen 2.980 N/A ILE 256.A N LEU 55.A O no hydrogen 2.873 N/A THR 257.A N SER 113.A O no hydrogen 2.938 N/A THR 260.A N THR 111.A O no hydrogen 2.931 N/A THR 260.A OG1 ASN 258.A OD1.A no hydrogen 2.779 N/A THR 260.A OG1 ASN 258.A OD1.B no hydrogen 3.290 N/A THR 262.A N TYR 109.A O no hydrogen 2.830 N/A LEU 264.A N ASP 107.A O no hydrogen 2.898 N/A ARG 266.A NE ASP 107.A OD2 no hydrogen 2.878 N/A ARG 266.A NH1 ASP 107.A OD2 no hydrogen 3.055 N/A LEU 268.A N LEU 105.A O no hydrogen 2.964 N/A SER 270.A N SER 217.A OG no hydrogen 2.967 N/A