Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4okt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLN 1.A OE1 no hydrogen 2.492 N/A ASN 6.A N PRO 2.A O no hydrogen 2.986 N/A VAL 7.A N ILE 3.A O no hydrogen 3.306 N/A LEU 8.A N PHE 4.A O no hydrogen 3.231 N/A GLU 9.A N LEU 5.A O no hydrogen 3.131 N/A ALA 10.A N ASN 6.A O no hydrogen 2.821 N/A ILE 11.A N VAL 7.A O no hydrogen 2.918 N/A ALA 18.A N ASP 98.A OD2 no hydrogen 2.897 N/A GLY 19.A N ASP 98.A OD1 no hydrogen 2.577 N/A HIS 20.A N ASP 98.A OD1 no hydrogen 3.281 N/A HIS 20.A ND1 SER 34.A OG no hydrogen 2.664 N/A ASN 22.A ND2 ASP 98.A O no hydrogen 2.670 N/A ASN 23.A N ASP 21.A OD1 no hydrogen 3.137 N/A ASN 23.A ND2 ASP 21.A OD1 no hydrogen 3.387 N/A GLN 24.A N ASP 21.A O no hydrogen 3.421 N/A LEU 31.A N SER 27.A O no hydrogen 3.104 N/A LEU 32.A N PHE 28.A O no hydrogen 3.048 N/A SER 33.A N ALA 29.A O no hydrogen 2.919 N/A SER 33.A OG ALA 29.A O no hydrogen 2.700 N/A SER 34.A N ALA 30.A O no hydrogen 3.004 N/A SER 34.A OG HIS 20.A ND1 no hydrogen 2.664 N/A SER 34.A OG ALA 30.A O no hydrogen 2.928 N/A LEU 35.A N LEU 31.A O no hydrogen 2.831 N/A ASN 36.A N LEU 32.A O no hydrogen 2.782 N/A ASN 36.A ND2 ASP 220.A O no hydrogen 3.157 N/A GLU 37.A N SER 33.A O no hydrogen 3.110 N/A LEU 38.A N SER 34.A O no hydrogen 2.853 N/A GLY 39.A N LEU 35.A O no hydrogen 2.817 N/A GLU 40.A N ASN 36.A O no hydrogen 3.238 N/A ARG 41.A N GLU 37.A O no hydrogen 3.013 N/A ARG 41.A NE GLU 37.A OE2 no hydrogen 2.719 N/A ARG 41.A NH1 CYS 17.A O no hydrogen 2.626 N/A ARG 41.A NH2 GLU 37.A OE2 no hydrogen 3.375 N/A GLN 42.A N LEU 38.A O no hydrogen 2.751 N/A GLN 42.A NE2 PHE 95.A O no hydrogen 3.458 N/A LEU 43.A N GLY 39.A O no hydrogen 2.771 N/A VAL 44.A N GLU 40.A O no hydrogen 3.111 N/A HIS 45.A N ARG 41.A O no hydrogen 3.457 N/A HIS 45.A ND1 ARG 41.A O no hydrogen 3.188 N/A VAL 46.A N GLN 42.A O no hydrogen 2.818 N/A VAL 47.A N LEU 43.A O no hydrogen 2.930 N/A LYS 48.A N VAL 44.A O no hydrogen 3.234 N/A TRP 49.A N HIS 45.A O no hydrogen 3.001 N/A ALA 50.A N VAL 46.A O no hydrogen 2.824 N/A LYS 51.A N VAL 47.A O no hydrogen 3.160 N/A ALA 52.A N TRP 49.A O no hydrogen 3.269 N/A LEU 53.A N ALA 50.A O no hydrogen 2.924 N/A PHE 56.A N LEU 53.A O no hydrogen 3.206 N/A ASN 58.A N GLY 55.A O no hydrogen 2.782 N/A ASN 58.A ND2 GLY 55.A O no hydrogen 3.376 N/A LEU 59.A N PHE 56.A O no hydrogen 3.278 N/A GLN 64.A N HIS 60.A O no hydrogen 2.916 N/A MET 65.A N VAL 61.A O no hydrogen 3.096 N/A ALA 66.A N ASP 62.A O no hydrogen 2.852 N/A VAL 67.A N ASP 63.A O no hydrogen 2.908 N/A GLN 69.A N MET 65.A O no hydrogen 3.249 N/A GLN 69.A NE2 MET 65.A O no hydrogen 3.048 N/A TYR 70.A N ALA 66.A O no hydrogen 2.914 N/A SER 71.A N VAL 67.A O no hydrogen 2.951 N/A SER 71.A OG VAL 67.A O no hydrogen 3.172 N/A SER 71.A OG LEU 142.A O no hydrogen 3.353 N/A SER 71.A OG LEU 143.A O no hydrogen 2.918 N/A LEU 75.A N SER 71.A O no hydrogen 3.029 N/A MET 76.A N LEU 72.A O no hydrogen 3.057 N/A VAL 77.A N MET 73.A O no hydrogen 3.037 N/A PHE 78.A N GLY 74.A O no hydrogen 2.953 N/A ALA 79.A N LEU 75.A O no hydrogen 2.918 N/A MET 80.A N MET 76.A O no hydrogen 2.906 N/A GLY 81.A N VAL 77.A O no hydrogen 2.907 N/A TRP 82.A N PHE 78.A O no hydrogen 3.202 N/A ARG 83.A N ALA 79.A O no hydrogen 2.881 N/A ARG 83.A NE TYR 94.A O no hydrogen 3.139 N/A ARG 83.A NH2 TYR 94.A O no hydrogen 3.454 N/A ARG 83.A NH2 PHE 95.A O no hydrogen 3.028 N/A SER 84.A N MET 80.A O no hydrogen 2.743 N/A SER 84.A OG MET 80.A O no hydrogen 2.912 N/A SER 84.A OG MET 92.A O no hydrogen 3.562 N/A PHE 85.A N GLY 81.A O no hydrogen 2.981 N/A THR 86.A N TRP 82.A O no hydrogen 2.818 N/A THR 86.A OG1 TRP 82.A O no hydrogen 2.962 N/A ASN 87.A N ARG 83.A O no hydrogen 3.085 N/A VAL 88.A N SER 84.A O no hydrogen 3.379 N/A ASN 89.A N PHE 85.A O no hydrogen 2.971 N/A SER 90.A N SER 84.A O no hydrogen 2.862 N/A SER 90.A OG SER 122.A OG no hydrogen 2.704 N/A ALA 91.A N VAL 88.A O no hydrogen 3.220 N/A LEU 93.A N PHE 101.A O no hydrogen 2.982 N/A TYR 94.A N SER 84.A OG no hydrogen 2.766 N/A PHE 95.A N LEU 93.A O no hydrogen 2.892 N/A ALA 96.A N LEU 99.A O no hydrogen 3.245 N/A LEU 99.A N ALA 96.A O no hydrogen 3.120 N/A PHE 101.A N LEU 93.A O no hydrogen 2.879 N/A ARG 105.A N ASN 102.A OD1 no hydrogen 2.918 N/A ARG 105.A NE ASP 26.A OD1 no hydrogen 3.061 N/A ARG 105.A NE ASP 26.A OD2 no hydrogen 3.472 N/A ARG 105.A NH1 ASN 22.A OD1 no hydrogen 3.364 N/A ARG 105.A NH1 VAL 100.A O no hydrogen 2.745 N/A ARG 105.A NH2 ASN 22.A OD1 no hydrogen 2.699 N/A ARG 105.A NH2 ASP 26.A OD1 no hydrogen 3.375 N/A MET 106.A N ASN 102.A O no hydrogen 2.915 N/A HIS 107.A N GLU 103.A O no hydrogen 3.003 N/A LYS 108.A N TYR 104.A O no hydrogen 2.826 N/A SER 109.A N ARG 105.A O no hydrogen 2.844 N/A SER 109.A OG ARG 105.A O no hydrogen 3.416 N/A SER 109.A OG MET 106.A O no hydrogen 2.620 N/A ARG 110.A N HIS 107.A O no hydrogen 3.113 N/A MET 111.A N SER 109.A OG no hydrogen 3.175 N/A TYR 112.A OH GLU 103.A OE1 no hydrogen 2.392 N/A TYR 112.A OH GLU 103.A OE2 no hydrogen 3.072 N/A SER 113.A OG GLN 114.A OE1 no hydrogen 3.054 N/A SER 113.A OG GLU 202.A OE1 no hydrogen 2.938 N/A SER 113.A OG GLU 202.A OE2 no hydrogen 3.480 N/A GLN 114.A N GLN 114.A OE1 no hydrogen 2.884 N/A GLN 114.A NE2 GLU 202.A O no hydrogen 3.142 N/A CYS 115.A N MET 111.A O no hydrogen 2.873 N/A CYS 115.A SG MET 111.A O no hydrogen 3.248 N/A VAL 116.A N TYR 112.A O no hydrogen 2.770 N/A ARG 117.A N SER 113.A O no hydrogen 3.138 N/A ARG 117.A NH1 GLU 202.A OE2 no hydrogen 2.545 N/A MET 118.A N GLN 114.A O no hydrogen 2.935 N/A ARG 119.A N CYS 115.A O no hydrogen 2.992 N/A HIS 120.A N VAL 116.A O no hydrogen 2.776 N/A LEU 121.A N ARG 117.A O no hydrogen 2.966 N/A SER 122.A N MET 118.A O no hydrogen 3.056 N/A SER 122.A OG GLY 81.A O no hydrogen 2.939 N/A SER 122.A OG SER 90.A OG no hydrogen 2.704 N/A GLN 123.A N ARG 119.A O no hydrogen 3.103 N/A GLU 124.A N HIS 120.A O no hydrogen 3.038 N/A GLU 124.A N LEU 121.A O no hydrogen 2.968 N/A PHE 125.A N LEU 121.A O no hydrogen 3.317 N/A TRP 127.A N GLN 123.A O no hydrogen 3.006 N/A LEU 128.A N GLU 124.A O no hydrogen 2.854 N/A GLN 129.A N GLY 126.A O no hydrogen 2.962 N/A ILE 130.A N PHE 125.A O no hydrogen 3.018 N/A THR 131.A N GLU 134.A OE1 no hydrogen 2.906 N/A GLN 133.A NE2 GLU 9.A OE1 no hydrogen 2.976 N/A GLU 134.A N THR 131.A OG1 no hydrogen 2.897 N/A PHE 135.A N THR 131.A O no hydrogen 2.942 N/A LEU 136.A N PRO 132.A O no hydrogen 2.988 N/A CYS 137.A N GLN 133.A O no hydrogen 3.306 N/A CYS 137.A SG TYR 165.A O no hydrogen 3.787 N/A MET 138.A N GLU 134.A O no hydrogen 2.901 N/A LYS 139.A N PHE 135.A O no hydrogen 2.755 N/A LYS 139.A NZ GLU 12.A OE2 no hydrogen 2.799 N/A ALA 140.A N LEU 136.A O no hydrogen 2.961 N/A LEU 141.A N CYS 137.A O no hydrogen 3.000 N/A LEU 142.A N MET 138.A O no hydrogen 3.000 N/A LEU 143.A N ALA 140.A O no hydrogen 2.864 N/A PHE 144.A N LEU 141.A O no hydrogen 2.884 N/A SER 145.A OG LEU 141.A O no hydrogen 2.692 N/A ILE 147.A N LYS 242.A O no hydrogen 2.962 N/A VAL 149.A N LYS 240.A O no hydrogen 2.949 N/A GLY 151.A N PRO 148.A O no hydrogen 3.029 N/A LEU 152.A N GLN 155.A OE1 no hydrogen 3.020 N/A LYS 153.A N ASP 63.A OD1 no hydrogen 2.909 N/A ASN 154.A N ASP 63.A OD2 no hydrogen 2.831 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 2.834 N/A ASP 159.A N GLN 155.A O no hydrogen 2.912 N/A GLU 160.A N LYS 156.A O no hydrogen 2.982 N/A LEU 161.A N PHE 157.A O no hydrogen 2.931 N/A ARG 162.A N PHE 158.A O no hydrogen 2.845 N/A ARG 162.A NH1 PHE 144.A O no hydrogen 3.069 N/A ARG 162.A NH1 SER 145.A OG no hydrogen 3.347 N/A MET 163.A N ASP 159.A O no hydrogen 3.105 N/A ASN 164.A N GLU 160.A O no hydrogen 3.152 N/A TYR 165.A N LEU 161.A O no hydrogen 3.017 N/A TYR 165.A OH PRO 54.A O no hydrogen 2.670 N/A ILE 166.A N ARG 162.A O no hydrogen 3.065 N/A LYS 167.A N MET 163.A O no hydrogen 2.882 N/A GLU 168.A N ASN 164.A O no hydrogen 3.045 N/A LEU 169.A N TYR 165.A O no hydrogen 3.008 N/A ASP 170.A N ILE 166.A O no hydrogen 2.916 N/A ARG 171.A N LYS 167.A O no hydrogen 2.920 N/A ILE 172.A N GLU 168.A O no hydrogen 2.831 N/A ILE 173.A N LEU 169.A O no hydrogen 2.954 N/A ALA 174.A N ASP 170.A O no hydrogen 3.107 N/A LYS 175.A NZ LYS 175.A O no hydrogen 3.507 N/A THR 180.A N ASN 178.A OD1 no hydrogen 3.133 N/A CYS 182.A N ASN 178.A O no hydrogen 3.082 N/A CYS 182.A SG ASN 178.A O no hydrogen 3.414 N/A SER 183.A N PRO 179.A O no hydrogen 2.944 N/A SER 183.A OG PRO 179.A O no hydrogen 2.982 N/A ARG 184.A N THR 180.A O no hydrogen 3.115 N/A ARG 185.A N SER 181.A O no hydrogen 3.178 N/A ARG 185.A NE GLU 134.A OE2 no hydrogen 2.729 N/A ARG 185.A NH1 LEU 128.A O no hydrogen 2.742 N/A ARG 185.A NH1 GLN 188.A OE1 no hydrogen 3.216 N/A ARG 185.A NH2 LEU 128.A O no hydrogen 2.875 N/A ARG 185.A NH2 GLN 129.A O no hydrogen 3.298 N/A ARG 185.A NH2 GLU 134.A OE1 no hydrogen 2.634 N/A ARG 185.A NH2 GLU 134.A OE2 no hydrogen 3.379 N/A PHE 186.A N CYS 182.A O no hydrogen 2.823 N/A TYR 187.A N SER 183.A O no hydrogen 2.732 N/A GLN 188.A N ARG 184.A O no hydrogen 3.096 N/A LEU 189.A N ARG 185.A O no hydrogen 2.891 N/A THR 190.A N PHE 186.A O no hydrogen 3.013 N/A THR 190.A OG1 PHE 186.A O no hydrogen 2.732 N/A THR 190.A OG1 TYR 187.A O no hydrogen 2.946 N/A THR 190.A OG1 HIS 247.A NE2 no hydrogen 3.061 N/A LYS 191.A N TYR 187.A O no hydrogen 2.979 N/A LEU 192.A N GLN 188.A O no hydrogen 2.973 N/A LEU 193.A N LEU 189.A O no hydrogen 2.877 N/A ASP 194.A N THR 190.A O no hydrogen 2.908 N/A SER 195.A N LYS 191.A O no hydrogen 3.184 N/A SER 195.A OG LEU 192.A O no hydrogen 2.953 N/A VAL 196.A N LEU 193.A O no hydrogen 3.025 N/A GLN 197.A N ASP 194.A O no hydrogen 3.244 N/A ALA 200.A N VAL 196.A O no hydrogen 3.030 N/A ARG 201.A N GLN 197.A O no hydrogen 2.912 N/A ARG 201.A NH1 ILE 236.A O no hydrogen 3.064 N/A ARG 201.A NH2 ILE 236.A O no hydrogen 3.329 N/A GLU 202.A N PRO 198.A O no hydrogen 2.938 N/A LEU 203.A N ILE 199.A O no hydrogen 2.795 N/A HIS 204.A N ALA 200.A O no hydrogen 2.610 N/A GLN 205.A N ARG 201.A O no hydrogen 2.911 N/A PHE 206.A N GLU 202.A O no hydrogen 2.998 N/A THR 207.A N LEU 203.A O no hydrogen 2.871 N/A PHE 208.A N HIS 204.A O no hydrogen 2.921 N/A ASP 209.A N GLN 205.A O no hydrogen 3.050 N/A LEU 210.A N PHE 206.A O no hydrogen 2.848 N/A LEU 211.A N THR 207.A O no hydrogen 2.802 N/A ILE 212.A N PHE 208.A O no hydrogen 3.127 N/A LYS 213.A N LEU 210.A O no hydrogen 3.284 N/A SER 214.A N LEU 211.A O no hydrogen 2.931 N/A SER 214.A OG LEU 211.A O no hydrogen 3.478 N/A MET 216.A N LYS 213.A O no hydrogen 2.892 N/A VAL 217.A N SER 214.A O no hydrogen 3.042 N/A VAL 219.A N SER 214.A O no hydrogen 3.418 N/A ASP 220.A N SER 33.A OG no hydrogen 3.209 N/A MET 224.A N GLU 223.A OE2 no hydrogen 2.884 N/A ALA 226.A N PRO 222.A O no hydrogen 3.069 N/A GLU 227.A N GLU 223.A O no hydrogen 3.129 N/A ILE 228.A N MET 224.A O no hydrogen 3.128 N/A ILE 229.A N MET 225.A O no hydrogen 2.923 N/A SER 230.A N ALA 226.A O no hydrogen 3.057 N/A SER 230.A OG ALA 226.A O no hydrogen 2.929 N/A SER 230.A OG GLU 227.A O no hydrogen 3.294 N/A GLN 232.A N ILE 228.A O no hydrogen 2.784 N/A VAL 233.A N ILE 228.A O no hydrogen 2.976 N/A LYS 235.A N GLN 232.A O no hydrogen 2.998 N/A LYS 235.A NZ GLN 232.A OE1 no hydrogen 3.510 N/A ILE 236.A N VAL 233.A O no hydrogen 2.989 N/A LEU 237.A N VAL 233.A O no hydrogen 3.115 N/A SER 238.A N PRO 234.A O no hydrogen 2.602 N/A SER 238.A OG PRO 234.A O no hydrogen 2.959 N/A SER 238.A OG LYS 235.A O no hydrogen 3.506 N/A GLY 239.A N ILE 236.A O no hydrogen 3.247 N/A LYS 240.A N LYS 235.A O no hydrogen 2.847 N/A VAL 241.A N LYS 235.A O no hydrogen 2.836 N/A LYS 242.A N ILE 147.A O no hydrogen 2.937 N/A ILE 244.A N SER 145.A O no hydrogen 2.890 N/A PHE 246.A N ASP 194.A OD2 no hydrogen 2.966 N/A HIS 247.A N ASP 194.A OD1 no hydrogen 2.809 N/A HIS 247.A NE2 THR 190.A OG1 no hydrogen 3.061 N/A