Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ke8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ASP 63.A OD1 no hydrogen 3.002 N/A GLN 3.A N ASP 63.A OD2 no hydrogen 3.204 N/A TYR 4.A N ASP 63.A OD2 no hydrogen 3.179 N/A LEU 7.A N GLY 58.A O no hydrogen 2.727 N/A GLY 9.A N GLU 11.A OE1 no hydrogen 3.108 N/A GLY 9.A N GLU 11.A OE2 no hydrogen 3.278 N/A ALA 10.A N LEU 7.A O no hydrogen 2.861 N/A PHE 13.A N LEU 51.A O no hydrogen 2.886 N/A ALA 15.A N VAL 49.A O no hydrogen 2.959 N/A ASN 17.A N THR 48.A OG1 no hydrogen 2.772 N/A ASN 17.A ND2 TYR 47.A O no hydrogen 2.805 N/A GLY 18.A N GLY 46.A O no hydrogen 3.089 N/A GLY 21.A N THR 89.A O no hydrogen 2.728 N/A VAL 22.A N THR 48.A O no hydrogen 2.755 N/A LEU 23.A N PHE 91.A O no hydrogen 2.863 N/A LEU 24.A N CYS 50.A O no hydrogen 2.955 N/A VAL 25.A N THR 93.A O no hydrogen 2.881 N/A HIS 26.A ND1 GLY 27.A O no hydrogen 2.974 N/A THR 29.A N HIS 57.A NE2 no hydrogen 3.045 N/A THR 29.A OG1 PHE 28.A O no hydrogen 2.477 N/A GLY 30.A N GLY 27.A O no hydrogen 2.946 N/A HIS 33.A N THR 31.A OG1 no hydrogen 3.028 N/A SER 34.A N THR 31.A O no hydrogen 3.302 N/A SER 34.A OG THR 31.A O no hydrogen 3.260 N/A MET 35.A N PRO 32.A O no hydrogen 2.943 N/A ALA 39.A N MET 35.A O no hydrogen 3.014 N/A GLU 40.A N ARG 36.A O no hydrogen 2.898 N/A ALA 41.A N PRO 37.A O no hydrogen 3.047 N/A TYR 42.A N LEU 38.A O no hydrogen 2.921 N/A ALA 43.A N ALA 39.A O no hydrogen 2.945 N/A LYS 44.A N GLU 40.A O no hydrogen 2.963 N/A ALA 45.A N ALA 41.A O no hydrogen 3.252 N/A ALA 45.A N TYR 42.A O no hydrogen 3.252 N/A GLY 46.A N ALA 43.A O no hydrogen 2.927 N/A TYR 47.A N TYR 42.A O no hydrogen 3.037 N/A THR 48.A N VAL 20.A O no hydrogen 2.957 N/A THR 48.A OG1 GLY 18.A O no hydrogen 2.603 N/A VAL 49.A N ALA 15.A O no hydrogen 2.877 N/A CYS 50.A N VAL 22.A O no hydrogen 2.985 N/A CYS 50.A SG GLY 79.A O no hydrogen 3.913 N/A LEU 51.A N PHE 13.A O no hydrogen 2.774 N/A ARG 53.A NH1 GLU 2.A OE2 no hydrogen 2.822 N/A ARG 53.A NH1 HIS 57.A O no hydrogen 2.905 N/A ARG 53.A NH2 GLU 2.A OE1 no hydrogen 3.301 N/A ARG 53.A NH2 GLU 2.A OE2 no hydrogen 3.452 N/A LEU 54.A N HIS 26.A NE2 no hydrogen 3.102 N/A LYS 55.A N SER 75.A OG no hydrogen 3.029 N/A GLY 56.A N GLU 2.A OE2 no hydrogen 2.685 N/A HIS 57.A N LEU 54.A O no hydrogen 2.942 N/A HIS 57.A ND1 LYS 55.A O no hydrogen 3.061 N/A THR 59.A N TYR 158.A OH no hydrogen 2.916 N/A THR 59.A OG1 ASP 63.A OD2 no hydrogen 2.771 N/A THR 59.A OG1 TYR 158.A OH no hydrogen 3.368 N/A HIS 60.A N THR 59.A OG1 no hydrogen 2.656 N/A HIS 60.A ND1 GLU 62.A OE1 no hydrogen 2.159 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.738 N/A ASP 63.A N HIS 60.A O no hydrogen 2.953 N/A MET 64.A N HIS 60.A O no hydrogen 3.363 N/A GLU 65.A N TYR 61.A O no hydrogen 3.115 N/A ARG 66.A N ASP 63.A O no hydrogen 3.280 N/A ARG 66.A NH2 SER 1.A O no hydrogen 3.054 N/A ARG 66.A NH2 ASP 63.A OD1 no hydrogen 2.766 N/A THR 67.A N MET 64.A O no hydrogen 2.891 N/A THR 67.A OG1 MET 64.A O no hydrogen 2.715 N/A THR 68.A N ASP 71.A OD2 no hydrogen 2.916 N/A THR 68.A OG1 ASP 71.A OD2 no hydrogen 3.418 N/A PHE 69.A N GLN 168.A OE1 no hydrogen 2.923 N/A ASP 71.A N THR 68.A O no hydrogen 3.051 N/A ASP 71.A N THR 68.A OG1 no hydrogen 3.406 N/A TRP 72.A N THR 68.A O no hydrogen 3.405 N/A TRP 72.A NE1 THR 67.A OG1 no hydrogen 2.899 N/A VAL 73.A N PHE 69.A O no hydrogen 2.827 N/A ALA 74.A N HIS 70.A O no hydrogen 2.924 N/A SER 75.A N ASP 71.A O no hydrogen 3.050 N/A SER 75.A OG ASP 71.A O no hydrogen 3.389 N/A VAL 76.A N TRP 72.A O no hydrogen 3.238 N/A GLU 77.A N VAL 73.A O no hydrogen 2.762 N/A GLU 78.A N ALA 74.A O no hydrogen 2.888 N/A GLY 79.A N SER 75.A O no hydrogen 3.323 N/A TYR 80.A N VAL 76.A O no hydrogen 2.836 N/A GLY 81.A N GLU 77.A O no hydrogen 2.862 N/A TRP 82.A N GLU 78.A O no hydrogen 2.913 N/A LEU 83.A N GLY 79.A O no hydrogen 3.036 N/A LYS 84.A N TYR 80.A O no hydrogen 2.832 N/A ARG 86.A N LEU 83.A O no hydrogen 2.793 N/A ARG 86.A NE GLU 16.A OE1 no hydrogen 3.067 N/A ARG 86.A NH2 TRP 82.A O no hydrogen 2.974 N/A CYS 87.A SG GLY 18.A O no hydrogen 3.833 N/A GLN 88.A N PRO 19.A O no hydrogen 3.019 N/A THR 89.A N PRO 19.A O no hydrogen 3.444 N/A PHE 91.A N GLY 21.A O no hydrogen 2.841 N/A VAL 92.A N GLY 114.A O no hydrogen 3.224 N/A THR 93.A N LEU 23.A O no hydrogen 2.851 N/A THR 93.A OG1 VAL 116.A O no hydrogen 2.753 N/A GLY 94.A N VAL 116.A O no hydrogen 3.367 N/A LEU 95.A N VAL 25.A O no hydrogen 3.045 N/A SER 96.A N ILE 118.A O no hydrogen 2.897 N/A SER 96.A OG HIS 225.A NE2 no hydrogen 2.774 N/A GLY 98.A N LEU 95.A O no hydrogen 2.736 N/A THR 100.A N SER 96.A O no hydrogen 2.956 N/A THR 100.A OG1 SER 96.A O no hydrogen 3.409 N/A THR 100.A OG1 ALA 121.A O no hydrogen 2.602 N/A LEU 101.A N MET 97.A O no hydrogen 2.784 N/A THR 102.A N GLY 98.A O no hydrogen 2.971 N/A THR 102.A OG1 GLY 98.A O no hydrogen 2.832 N/A LEU 103.A N GLY 99.A O no hydrogen 3.003 N/A TYR 104.A N THR 100.A O no hydrogen 2.849 N/A LEU 105.A N LEU 101.A O no hydrogen 2.940 N/A ALA 106.A N THR 102.A O no hydrogen 3.113 N/A GLU 107.A N LEU 103.A O no hydrogen 3.002 N/A HIS 108.A N LEU 105.A O no hydrogen 2.943 N/A HIS 108.A ND1 TYR 104.A O no hydrogen 2.832 N/A HIS 109.A NE2 GLU 77.A OE2 no hydrogen 2.737 N/A ILE 112.A N HIS 109.A O no hydrogen 3.235 N/A CYS 113.A N ILE 90.A O no hydrogen 2.914 N/A CYS 113.A SG HIS 247.A O no hydrogen 3.209 N/A ILE 115.A N PRO 186.A O no hydrogen 2.901 N/A VAL 116.A N VAL 92.A O no hydrogen 2.912 N/A ILE 118.A N GLY 94.A O no hydrogen 2.854 N/A ASN 119.A N PHE 190.A O no hydrogen 2.950 N/A ASN 119.A ND2 SER 192.A OG no hydrogen 3.060 N/A ASN 119.A ND2 HIS 225.A O no hydrogen 2.864 N/A VAL 122.A N ASN 202.A OD1 no hydrogen 2.644 N/A ASP 123.A N ASN 202.A OD1 no hydrogen 2.767 N/A ILE 127.A N ILE 124.A O no hydrogen 3.048 N/A ALA 129.A N PRO 125.A O no hydrogen 2.945 N/A GLY 130.A N ALA 126.A O no hydrogen 2.994 N/A MET 131.A N ILE 127.A O no hydrogen 3.148 N/A MET 131.A N ALA 128.A O no hydrogen 3.027 N/A THR 132.A OG1 ALA 128.A O no hydrogen 2.982 N/A THR 132.A OG1 ALA 129.A O no hydrogen 3.345 N/A ARG 139.A NE GLU 65.A OE1 no hydrogen 3.444 N/A ARG 139.A NE GLU 65.A OE2 no hydrogen 2.783 N/A ARG 139.A NH2 GLU 65.A OE1 no hydrogen 3.014 N/A TYR 140.A OH GLU 65.A OE1 no hydrogen 2.751 N/A LEU 141.A N THR 161.A O no hydrogen 2.844 N/A SER 143.A N GLU 159.A O no hydrogen 2.856 N/A SER 143.A OG TYR 158.A O no hydrogen 2.763 N/A SER 143.A OG THR 161.A OG1 no hydrogen 2.905 N/A LYS 149.A N ASP 230.A OD2 no hydrogen 2.809 N/A ASN 150.A N ASP 230.A OD1 no hydrogen 2.834 N/A ASP 152.A N ASN 150.A OD1 no hydrogen 3.128 N/A VAL 153.A N ASN 150.A O no hydrogen 3.330 N/A TYR 158.A N THR 29.A O no hydrogen 3.159 N/A TYR 158.A OH GLY 56.A O no hydrogen 2.601 N/A TYR 158.A OH THR 59.A OG1 no hydrogen 3.368 N/A THR 161.A N LEU 141.A O no hydrogen 2.670 N/A THR 161.A OG1 SER 143.A OG no hydrogen 2.905 N/A THR 163.A N ARG 139.A O no hydrogen 2.858 N/A THR 163.A OG1 PRO 138.A O no hydrogen 2.661 N/A THR 163.A OG1 ARG 139.A O no hydrogen 3.527 N/A SER 165.A OG MET 64.A O no hydrogen 3.509 N/A LEU 166.A N PRO 162.A O no hydrogen 3.185 N/A LEU 167.A N THR 163.A O no hydrogen 3.163 N/A GLN 168.A N ALA 164.A O no hydrogen 3.072 N/A LEU 169.A N SER 165.A O no hydrogen 2.806 N/A ALA 170.A N LEU 166.A O no hydrogen 3.036 N/A ARG 171.A N LEU 167.A O no hydrogen 3.118 N/A LEU 172.A N GLN 168.A O no hydrogen 2.957 N/A MET 173.A N LEU 169.A O no hydrogen 2.870 N/A ALA 174.A N ALA 170.A O no hydrogen 3.042 N/A GLN 175.A N ARG 171.A O no hydrogen 3.161 N/A THR 176.A N LEU 172.A O no hydrogen 2.952 N/A THR 176.A OG1 LEU 172.A O no hydrogen 2.820 N/A LYS 177.A N MET 173.A O no hydrogen 2.792 N/A ALA 178.A N ALA 174.A O no hydrogen 3.086 N/A LYS 179.A N GLN 175.A O no hydrogen 3.260 N/A LYS 179.A N THR 176.A O no hydrogen 3.346 N/A LEU 180.A N LYS 177.A O no hydrogen 3.358 N/A ARG 182.A N LYS 179.A O no hydrogen 3.032 N/A ILE 183.A N LEU 180.A O no hydrogen 3.044 N/A CYS 185.A SG PRO 186.A O no hydrogen 3.946 N/A ALA 187.A N GLU 214.A O no hydrogen 2.938 N/A LEU 188.A N ILE 115.A O no hydrogen 2.876 N/A ILE 189.A N GLU 216.A O no hydrogen 2.802 N/A PHE 190.A N PRO 117.A O no hydrogen 2.957 N/A VAL 191.A N VAL 218.A O no hydrogen 2.997 N/A SER 192.A N ASN 119.A OD1 no hydrogen 2.780 N/A SER 192.A OG TYR 224.A O no hydrogen 2.669 N/A ASP 193.A N LEU 220.A O no hydrogen 3.026 N/A ASP 195.A N SER 192.A O no hydrogen 3.263 N/A HIS 196.A N ASP 147.A OD2 no hydrogen 2.945 N/A HIS 196.A ND1 ASP 147.A OD1 no hydrogen 2.671 N/A VAL 197.A N ASP 195.A OD1 no hydrogen 2.789 N/A VAL 198.A N ASP 195.A OD1 no hydrogen 2.829 N/A ASN 202.A N PRO 199.A O no hydrogen 2.929 N/A ASN 202.A ND2 ASP 123.A O no hydrogen 2.957 N/A ASN 202.A ND2 PRO 199.A O no hydrogen 2.841 N/A ALA 203.A N PRO 200.A O no hydrogen 3.079 N/A ILE 205.A N GLY 201.A O no hydrogen 3.075 N/A ILE 206.A N ASN 202.A O no hydrogen 2.934 N/A PHE 207.A N ALA 203.A O no hydrogen 2.922 N/A GLN 208.A N ASP 204.A O no hydrogen 2.907 N/A GLY 209.A N ILE 205.A O no hydrogen 2.948 N/A GLY 209.A N ILE 206.A O no hydrogen 3.211 N/A ILE 210.A N ILE 206.A O no hydrogen 3.128 N/A SER 211.A N ILE 183.A O no hydrogen 2.844 N/A SER 211.A OG ASP 181.A O no hydrogen 2.704 N/A SER 212.A OG CYS 185.A O no hydrogen 2.539 N/A LYS 215.A NZ PHE 207.A O no hydrogen 2.814 N/A GLU 216.A N ALA 187.A O no hydrogen 3.173 N/A VAL 218.A N ILE 189.A O no hydrogen 2.742 N/A ARG 219.A NE ASP 193.A OD1 no hydrogen 2.489 N/A ARG 219.A NH2 ASP 193.A OD1 no hydrogen 3.177 N/A LEU 220.A N VAL 191.A O no hydrogen 2.696 N/A ASN 222.A N ASP 232.A OD2 no hydrogen 2.929 N/A ASN 222.A ND2 ASP 232.A OD1 no hydrogen 3.328 N/A SER 223.A OG ASP 232.A OD2 no hydrogen 2.840 N/A TYR 224.A N ASP 230.A OD2 no hydrogen 2.829 N/A HIS 225.A N ASP 147.A OD2 no hydrogen 2.965 N/A HIS 225.A ND1 ASP 195.A OD2 no hydrogen 2.606 N/A HIS 225.A NE2 SER 96.A OG no hydrogen 2.774 N/A VAL 226.A N ASP 147.A O no hydrogen 3.163 N/A ALA 227.A N HIS 225.A O no hydrogen 2.762 N/A THR 228.A OG1 SER 34.A O no hydrogen 2.655 N/A LEU 229.A N VAL 226.A O no hydrogen 3.114 N/A ASP 230.A N ALA 227.A O no hydrogen 3.005 N/A TYR 231.A N ASP 230.A OD1 no hydrogen 3.003 N/A ASP 232.A N SER 223.A OG no hydrogen 3.094 N/A GLN 233.A N ASP 230.A O no hydrogen 3.002 N/A GLN 233.A NE2 THR 228.A O no hydrogen 2.690 N/A ILE 236.A N ASP 232.A O no hydrogen 2.970 N/A ILE 237.A N GLN 233.A O no hydrogen 3.018 N/A GLU 238.A N PRO 234.A O no hydrogen 2.895 N/A ARG 239.A N MET 235.A O no hydrogen 2.856 N/A ARG 239.A NH2 GLU 216.A OE1 no hydrogen 2.932 N/A ARG 239.A NH2 GLU 216.A OE2 no hydrogen 3.399 N/A SER 240.A N ILE 236.A O no hydrogen 2.939 N/A SER 240.A OG TYR 42.A OH no hydrogen 3.264 N/A SER 240.A OG ILE 236.A O no hydrogen 2.768 N/A LEU 241.A N ILE 237.A O no hydrogen 2.919 N/A GLU 242.A N GLU 238.A O no hydrogen 3.116 N/A PHE 243.A N ARG 239.A O no hydrogen 3.006 N/A PHE 244.A N SER 240.A O no hydrogen 2.831 N/A ALA 245.A N LEU 241.A O no hydrogen 2.978 N/A LYS 246.A N GLU 242.A O no hydrogen 3.029 N/A HIS 247.A N PHE 243.A O no hydrogen 3.240 N/A HIS 247.A N PHE 244.A O no hydrogen 3.136 N/A ALA 248.A N PHE 244.A O no hydrogen 2.795 N/A