Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5j16_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 98.A OH no hydrogen 3.456 N/A TYR 4.A OH HIS 112.A ND1 no hydrogen 2.742 N/A GLY 5.A N MET 1.A O no hydrogen 2.761 N/A PHE 6.A N ALA 2.A O no hydrogen 2.764 N/A ALA 7.A N LEU 3.A O no hydrogen 2.809 N/A GLN 8.A N TYR 4.A O no hydrogen 2.809 N/A GLY 9.A N GLY 5.A O no hydrogen 3.149 N/A LEU 10.A N PHE 6.A O no hydrogen 3.038 N/A ILE 11.A N ALA 7.A O no hydrogen 3.072 N/A GLN 12.A N GLN 8.A O no hydrogen 3.344 N/A GLU 13.A N GLY 9.A O no hydrogen 2.796 N/A ALA 14.A N LEU 10.A O no hydrogen 2.843 N/A GLY 15.A N ILE 11.A O no hydrogen 3.048 N/A ILE 16.A N GLN 12.A O no hydrogen 3.201 N/A ARG 17.A N GLU 13.A O no hydrogen 3.196 N/A ILE 18.A N ALA 14.A O no hydrogen 3.160 N/A LYS 19.A N GLY 15.A O no hydrogen 3.132 N/A LYS 19.A NZ VAL 105.A O no hydrogen 3.283 N/A GLN 20.A N ILE 16.A O no hydrogen 3.052 N/A LEU 21.A N ARG 17.A O no hydrogen 3.092 N/A MET 22.A N LYS 19.A O no hydrogen 3.259 N/A GLU 23.A N LYS 19.A O no hydrogen 2.895 N/A GLN 24.A N GLN 20.A O no hydrogen 3.091 N/A LYS 30.A N THR 26.A O no hydrogen 3.196 N/A ALA 31.A N ASN 27.A O no hydrogen 2.655 N/A THR 32.A N VAL 28.A O no hydrogen 3.090 N/A THR 32.A OG1 VAL 28.A O no hydrogen 3.052 N/A GLU 33.A N ASP 29.A O no hydrogen 2.863 N/A ASP 34.A N LYS 30.A O no hydrogen 2.934 N/A PHE 35.A N ALA 31.A O no hydrogen 2.903 N/A ILE 36.A N THR 32.A O no hydrogen 3.106 N/A PHE 37.A N GLU 33.A O no hydrogen 2.848 N/A ASP 38.A N ASP 34.A O no hydrogen 2.791 N/A THR 39.A N PHE 35.A O no hydrogen 2.767 N/A THR 39.A OG1 PHE 35.A O no hydrogen 3.177 N/A ILE 40.A N ILE 36.A O no hydrogen 2.932 N/A LEU 41.A N PHE 37.A O no hydrogen 3.052 N/A GLU 42.A N ASP 38.A O no hydrogen 3.099 N/A TYR 44.A N ILE 40.A O no hydrogen 2.827 N/A HIS 47.A N TYR 44.A O no hydrogen 3.243 N/A GLN 48.A N THR 65.A O no hydrogen 2.980 N/A GLN 48.A NE2 ASP 60.A O no hydrogen 3.623 N/A GLN 48.A NE2 LYS 63.A O no hydrogen 3.460 N/A LEU 50.A N TRP 67.A O no hydrogen 2.651 N/A GLY 51.A N HIS 55.A O no hydrogen 2.750 N/A GLU 53.A N GLU 33.A OE1 no hydrogen 3.071 N/A HIS 55.A ND1 GLU 33.A OE2 no hydrogen 2.873 N/A SER 62.A N ASP 60.A OD2 no hydrogen 2.987 N/A SER 62.A OG ASP 60.A OD1 no hydrogen 3.213 N/A SER 62.A OG ASP 60.A OD2 no hydrogen 2.655 N/A LYS 63.A N ASP 60.A O no hydrogen 3.487 N/A VAL 66.A N TYR 92.A O no hydrogen 2.835 N/A TRP 67.A N GLN 48.A O no hydrogen 2.918 N/A TRP 67.A NE1 HIS 47.A ND1 no hydrogen 3.047 N/A VAL 68.A N GLY 90.A O no hydrogen 2.758 N/A VAL 69.A N LEU 50.A O no hydrogen 2.944 N/A ASP 70.A N SER 88.A O no hydrogen 2.962 N/A ASP 73.A N ALA 86.A O no hydrogen 2.657 N/A ASN 77.A ND2 ASN 84.A O no hydrogen 3.080 N/A ASN 77.A ND2 TYR 168.A O no hydrogen 2.808 N/A PHE 78.A N GLY 74.A O no hydrogen 2.801 N/A VAL 79.A N THR 75.A O no hydrogen 2.826 N/A HIS 80.A N LEU 76.A O no hydrogen 2.793 N/A GLN 81.A N ASN 77.A O no hydrogen 2.869 N/A GLN 82.A N PHE 78.A O no hydrogen 3.167 N/A ASN 84.A ND2 GLN 81.A OE1 no hydrogen 2.798 N/A ALA 86.A N ASP 73.A O no hydrogen 2.929 N/A ILE 87.A N TYR 103.A O no hydrogen 3.121 N/A SER 88.A N ASP 70.A O no hydrogen 2.913 N/A SER 88.A OG TRP 194.A O no hydrogen 3.517 N/A ILE 89.A N PHE 101.A O no hydrogen 2.844 N/A GLY 90.A N VAL 68.A O no hydrogen 3.147 N/A ILE 91.A N ALA 99.A O no hydrogen 2.901 N/A TYR 92.A N VAL 66.A O no hydrogen 2.913 N/A ILE 93.A N LYS 96.A O no hydrogen 2.693 N/A ASP 94.A N GLY 64.A O no hydrogen 2.759 N/A LYS 96.A N ILE 93.A O no hydrogen 2.962 N/A TYR 98.A N ILE 91.A O no hydrogen 2.690 N/A ALA 99.A N ILE 91.A O no hydrogen 3.172 N/A GLY 100.A N ALA 113.A O no hydrogen 3.002 N/A PHE 101.A N ILE 89.A O no hydrogen 2.775 N/A VAL 102.A N TYR 111.A O no hydrogen 2.977 N/A TYR 103.A N ILE 87.A O no hydrogen 2.899 N/A TYR 103.A OH ASP 108.A OD1 no hydrogen 2.992 N/A ALA 107.A N ASP 104.A OD1 no hydrogen 3.177 N/A ASP 108.A N VAL 105.A O no hydrogen 3.167 N/A VAL 109.A N ASP 104.A O no hydrogen 3.202 N/A TYR 111.A N VAL 102.A O no hydrogen 2.907 N/A HIS 112.A N TYR 120.A O no hydrogen 2.966 N/A HIS 112.A NE2 GLY 122.A O no hydrogen 2.707 N/A ALA 113.A N GLY 100.A O no hydrogen 3.039 N/A VAL 115.A N TYR 98.A O no hydrogen 2.886 N/A GLY 116.A N GLU 205.A OE2 no hydrogen 2.755 N/A GLU 117.A N LYS 114.A O no hydrogen 2.776 N/A GLY 118.A N GLU 205.A OE1 no hydrogen 2.663 N/A TYR 120.A N HIS 112.A O no hydrogen 2.755 N/A ARG 121.A N GLN 124.A O no hydrogen 2.952 N/A GLY 122.A N LEU 110.A O no hydrogen 2.687 N/A GLN 124.A N ARG 121.A O no hydrogen 2.836 N/A LEU 126.A N ALA 119.A O no hydrogen 3.089 N/A LEU 129.A N VAL 206.A O no hydrogen 2.978 N/A SER 132.A N ASN 230.A OD1 no hydrogen 3.214 N/A SER 132.A OG SER 137.A OG no hydrogen 2.831 N/A LEU 134.A N GLU 236.A OE1 no hydrogen 2.762 N/A GLN 136.A N ASN 133.A O no hydrogen 3.093 N/A SER 137.A N LEU 134.A O no hydrogen 2.966 N/A SER 137.A OG SER 132.A OG no hydrogen 2.831 N/A SER 137.A OG ASN 133.A O no hydrogen 2.653 N/A ILE 138.A N GLU 184.A OE1 no hydrogen 2.645 N/A ILE 139.A N SER 164.A O no hydrogen 2.954 N/A GLY 140.A N ALA 185.A O no hydrogen 2.748 N/A ILE 141.A N ARG 166.A O no hydrogen 2.906 N/A ASN 144.A N ASN 142.A OD1 no hydrogen 2.645 N/A ASN 144.A ND2 ASN 142.A OD1 no hydrogen 2.645 N/A TRP 145.A N ASN 142.A O no hydrogen 3.136 N/A LEU 146.A N PRO 143.A O no hydrogen 3.060 N/A THR 147.A N ASN 144.A O no hydrogen 3.403 N/A THR 147.A OG1 ASN 144.A O no hydrogen 2.786 N/A LYS 148.A N TRP 145.A O no hydrogen 3.462 N/A GLY 152.A N LYS 148.A O no hydrogen 2.943 N/A ILE 154.A N ILE 150.A O no hydrogen 3.253 N/A PHE 155.A N LEU 151.A O no hydrogen 2.984 N/A LYS 156.A N GLY 152.A O no hydrogen 2.958 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 3.303 N/A VAL 159.A N PHE 155.A O no hydrogen 2.925 N/A ASN 160.A N LYS 156.A O no hydrogen 2.953 N/A ASP 161.A N GLU 157.A O no hydrogen 2.924 N/A SER 162.A N ILE 158.A O no hydrogen 2.988 N/A SER 162.A OG ILE 158.A O no hydrogen 3.408 N/A SER 162.A OG VAL 159.A O no hydrogen 2.492 N/A ARG 163.A N SER 137.A O no hydrogen 2.998 N/A ARG 163.A NE GLN 136.A OE1 no hydrogen 2.756 N/A ARG 163.A NH2 GLN 136.A OE1 no hydrogen 3.349 N/A ARG 166.A N ILE 139.A O no hydrogen 2.806 N/A ARG 166.A NH1 SER 164.A OG no hydrogen 2.855 N/A ARG 166.A NH1 ALA 165.A O no hydrogen 3.133 N/A SER 170.A N GLU 174.A OE1 no hydrogen 3.334 N/A SER 170.A OG ASP 73.A OD2 no hydrogen 2.860 N/A ALA 172.A N ASP 73.A OD2 no hydrogen 2.780 N/A LEU 173.A N SER 170.A OG no hydrogen 3.039 N/A GLU 174.A N SER 170.A O no hydrogen 2.791 N/A ILE 175.A N ALA 171.A O no hydrogen 2.888 N/A VAL 176.A N ALA 172.A O no hydrogen 3.081 N/A SER 177.A N LEU 173.A O no hydrogen 2.787 N/A SER 177.A OG LEU 173.A O no hydrogen 2.808 N/A VAL 178.A N GLU 174.A O no hydrogen 3.173 N/A ALA 179.A N ILE 175.A O no hydrogen 2.941 N/A THR 180.A N VAL 176.A O no hydrogen 2.734 N/A THR 180.A OG1 VAL 176.A O no hydrogen 3.379 N/A THR 180.A OG1 SER 177.A O no hydrogen 3.064 N/A GLY 181.A N VAL 178.A O no hydrogen 3.254 N/A LEU 183.A N SER 177.A O no hydrogen 3.248 N/A GLU 184.A N ILE 138.A O no hydrogen 3.065 N/A TYR 186.A N VAL 228.A O no hydrogen 2.848 N/A MET 187.A N GLY 140.A O no hydrogen 2.906 N/A THR 188.A N ILE 226.A O no hydrogen 3.162 N/A ARG 190.A NH1 ARG 256.A O no hydrogen 3.217 N/A LEU 191.A N ASN 224.A O no hydrogen 2.743 N/A GLN 192.A N ASP 195.A OD1 no hydrogen 3.223 N/A ASP 195.A N GLN 192.A O no hydrogen 2.933 N/A PHE 196.A N PRO 193.A O no hydrogen 3.337 N/A ALA 197.A N PRO 193.A O no hydrogen 2.837 N/A LEU 200.A N PHE 196.A O no hydrogen 2.962 N/A VAL 201.A N GLY 198.A O no hydrogen 3.334 N/A LEU 203.A N GLY 199.A O no hydrogen 2.973 N/A TYR 204.A N LEU 200.A O no hydrogen 2.884 N/A GLU 205.A N VAL 201.A O no hydrogen 3.044 N/A GLU 205.A N ILE 202.A O no hydrogen 3.040 N/A VAL 206.A N LEU 203.A O no hydrogen 3.047 N/A ASN 207.A N TYR 204.A O no hydrogen 3.266 N/A GLY 208.A N LEU 203.A O no hydrogen 3.006 N/A GLN 209.A N GLY 229.A O no hydrogen 3.159 N/A SER 211.A N LEU 227.A O no hydrogen 3.119 N/A SER 211.A OG ASN 212.A O no hydrogen 2.567 N/A ASN 212.A N GLU 216.A O no hydrogen 2.863 N/A ASN 212.A ND2 GLU 216.A OE1 no hydrogen 3.178 N/A ASN 212.A ND2 ASN 224.A OD1 no hydrogen 3.015 N/A LEU 213.A N SER 225.A OG no hydrogen 2.942 N/A LEU 214.A N ASN 212.A OD1 no hydrogen 2.886 N/A GLY 215.A N ASN 212.A O no hydrogen 2.980 N/A GLU 216.A N ASN 212.A OD1 no hydrogen 3.031 N/A THR 219.A OG1 SER 221.A OG no hydrogen 2.668 N/A SER 221.A OG THR 219.A OG1 no hydrogen 2.668 N/A ASN 224.A N LEU 191.A O no hydrogen 2.931 N/A SER 225.A N ASN 224.A OD1 no hydrogen 3.033 N/A ILE 226.A N THR 188.A O no hydrogen 2.784 N/A LEU 227.A N SER 211.A O no hydrogen 2.880 N/A VAL 228.A N TYR 186.A O no hydrogen 3.102 N/A GLY 229.A N GLN 209.A O no hydrogen 3.311 N/A ASN 230.A N GLU 184.A O no hydrogen 3.364 N/A ASN 230.A ND2 SER 132.A OG no hydrogen 2.643 N/A ARG 231.A NE ASN 207.A OD1 no hydrogen 2.785 N/A ARG 231.A NH2 ASN 207.A OD1 no hydrogen 3.092 N/A GLY 232.A N ASP 131.A OD1 no hydrogen 3.172 N/A LEU 233.A N ASN 230.A OD1 no hydrogen 2.775 N/A HIS 234.A N ASN 230.A O no hydrogen 2.925 N/A HIS 234.A NE2 LEU 227.A O no hydrogen 2.953 N/A GLN 235.A N ARG 231.A O no hydrogen 2.999 N/A GLU 236.A N GLY 232.A O no hydrogen 3.269 N/A ILE 237.A N LEU 233.A O no hydrogen 2.960 N/A SER 238.A N HIS 234.A O no hydrogen 2.943 N/A ASN 239.A N GLN 235.A O no hydrogen 2.776 N/A ASP 240.A N GLU 236.A O no hydrogen 3.015 N/A TYR 241.A N ILE 237.A O no hydrogen 3.178 N/A LEU 242.A N ILE 237.A O no hydrogen 3.219 N/A GLU 243.A N SER 238.A O no hydrogen 2.777 N/A HIS 245.A N LEU 242.A O no hydrogen 2.640 N/A HIS 246.A N GLU 243.A O no hydrogen 3.084 N/A LEU 249.A N HIS 245.A O no hydrogen 2.888 N/A ILE 250.A N HIS 246.A O no hydrogen 2.718 N/A GLN 251.A N ASP 247.A O no hydrogen 3.091 N/A LEU 252.A N ALA 248.A O no hydrogen 2.908 N/A HIS 253.A N LEU 249.A O no hydrogen 2.900 N/A GLU 254.A N ILE 250.A O no hydrogen 2.821 N/A GLN 255.A N GLN 251.A O no hydrogen 2.945 N/A ARG 256.A N LEU 252.A O no hydrogen 2.962 N/A PHE 257.A N HIS 253.A O no hydrogen 3.012 N/A