Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1yi3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG PRO 1.A O no hydrogen 3.018 N/A GLN 5.A N LEU 2.A O no hydrogen 3.087 N/A TYR 6.A N LEU 2.A O no hydrogen 3.258 N/A GLN 7.A N ILE 24.A O no hydrogen 2.869 N/A GLY 9.A N SER 22.A O no hydrogen 2.680 N/A LEU 12.A N VAL 20.A O no hydrogen 2.671 N/A GLY 13.A N VAL 20.A O no hydrogen 3.303 N/A GLY 15.A N GLY 18.A O no hydrogen 2.866 N/A GLY 18.A N GLY 15.A O no hydrogen 3.111 N/A SER 19.A N HIS 36.A O no hydrogen 3.041 N/A VAL 20.A N GLY 13.A O no hydrogen 2.863 N/A TYR 21.A N ILE 34.A O no hydrogen 2.736 N/A SER 22.A N PRO 10.A O no hydrogen 2.891 N/A ILE 24.A N GLN 7.A O no hydrogen 3.343 N/A ARG 25.A N LEU 30.A O no hydrogen 2.866 N/A ARG 25.A NH1 ASP 28.A OD1 no hydrogen 3.134 N/A VAL 26.A N GLN 5.A O no hydrogen 2.743 N/A ASP 28.A N ARG 25.A O no hydrogen 2.789 N/A ASN 29.A N ARG 25.A O no hydrogen 2.714 N/A VAL 32.A N GLY 23.A O no hydrogen 2.789 N/A ALA 33.A N LEU 84.A O no hydrogen 2.654 N/A ILE 34.A N TYR 21.A O no hydrogen 2.815 N/A LYS 35.A N LEU 82.A O no hydrogen 2.879 N/A LYS 35.A NZ GLU 53.A OE1 no hydrogen 2.733 N/A LYS 35.A NZ ASP 149.A OD2 no hydrogen 2.852 N/A HIS 36.A N SER 19.A O no hydrogen 2.756 N/A VAL 37.A N PHE 80.A O no hydrogen 3.025 N/A LYS 39.A N ASP 78.A O no hydrogen 3.017 N/A LYS 39.A NZ GLU 75.A OE2 no hydrogen 3.016 N/A LYS 39.A NZ PRO 77.A O no hydrogen 3.102 N/A ARG 41.A N GLU 38.A O no hydrogen 3.121 N/A ILE 42.A N LYS 39.A O no hydrogen 3.018 N/A GLY 46.A N VAL 50.A O no hydrogen 2.783 N/A VAL 50.A N GLY 46.A O no hydrogen 3.103 N/A MET 52.A N ASP 44.A O no hydrogen 3.344 N/A VAL 54.A N PRO 51.A O no hydrogen 2.838 N/A LEU 56.A N MET 52.A O no hydrogen 2.914 N/A LEU 57.A N GLU 53.A O no hydrogen 2.889 N/A LYS 58.A N VAL 54.A O no hydrogen 3.097 N/A LYS 59.A N VAL 55.A O no hydrogen 3.189 N/A LYS 59.A N LEU 56.A O no hydrogen 2.953 N/A VAL 60.A N LEU 56.A O no hydrogen 3.216 N/A SER 61.A OG LEU 57.A O no hydrogen 2.527 N/A ILE 68.A N LEU 147.A O no hydrogen 2.920 N/A ARG 69.A N GLU 85.A OE1 no hydrogen 3.047 N/A LEU 70.A N SER 61.A OG no hydrogen 3.350 N/A LEU 71.A N ILE 83.A O no hydrogen 2.733 N/A ASP 72.A N ILE 83.A O no hydrogen 3.354 N/A TRP 73.A N ASP 72.A OD1 no hydrogen 2.630 N/A PHE 74.A N VAL 81.A O no hydrogen 2.733 N/A ARG 76.A N SER 79.A O no hydrogen 2.607 N/A SER 79.A N ARG 76.A O no hydrogen 3.121 N/A PHE 80.A N VAL 37.A O no hydrogen 2.893 N/A VAL 81.A N PHE 74.A O no hydrogen 2.702 N/A LEU 82.A N LYS 35.A O no hydrogen 2.787 N/A ILE 83.A N ASP 72.A O no hydrogen 2.656 N/A LEU 84.A N ALA 33.A O no hydrogen 2.781 N/A GLU 85.A N ARG 69.A O no hydrogen 3.153 N/A ARG 86.A N PRO 31.A O no hydrogen 3.345 N/A ARG 86.A NE VAL 32.A O no hydrogen 2.731 N/A ARG 86.A NH2 GLY 23.A O no hydrogen 2.837 N/A GLN 91.A N ILE 138.A O no hydrogen 3.322 N/A LEU 93.A N ILE 136.A O no hydrogen 2.736 N/A ASP 95.A N ASP 92.A OD2 no hydrogen 2.682 N/A PHE 96.A N ASP 92.A O no hydrogen 3.066 N/A ILE 97.A N LEU 93.A O no hydrogen 2.915 N/A THR 98.A N PHE 94.A O no hydrogen 2.897 N/A THR 98.A OG1 PHE 94.A O no hydrogen 2.793 N/A GLU 99.A N ASP 95.A O no hydrogen 2.936 N/A GLU 99.A N PHE 96.A O no hydrogen 3.070 N/A ARG 100.A N PHE 96.A O no hydrogen 3.050 N/A ARG 100.A NH1 HIS 265.A O no hydrogen 2.624 N/A ARG 100.A NH2 HIS 265.A O no hydrogen 2.660 N/A GLY 101.A N ILE 97.A O no hydrogen 2.581 N/A LEU 103.A N MET 198.A O no hydrogen 2.907 N/A ALA 108.A N GLN 104.A O no hydrogen 2.839 N/A ARG 109.A N GLU 105.A O no hydrogen 2.739 N/A ARG 109.A NH1 TRP 251.A O no hydrogen 3.023 N/A SER 110.A N GLU 106.A O no hydrogen 3.210 N/A SER 110.A OG THR 261.A OG1 no hydrogen 2.630 N/A PHE 111.A N LEU 107.A O no hydrogen 2.914 N/A PHE 112.A N ALA 108.A O no hydrogen 2.752 N/A TRP 113.A N ARG 109.A O no hydrogen 2.833 N/A GLN 114.A N SER 110.A O no hydrogen 3.116 N/A GLN 114.A NE2 GLY 143.A O no hydrogen 3.010 N/A VAL 115.A N PHE 111.A O no hydrogen 3.029 N/A LEU 116.A N PHE 112.A O no hydrogen 2.929 N/A GLU 117.A N TRP 113.A O no hydrogen 3.016 N/A ALA 118.A N GLN 114.A O no hydrogen 2.910 N/A VAL 119.A N VAL 115.A O no hydrogen 2.820 N/A ARG 120.A N LEU 116.A O no hydrogen 2.924 N/A ARG 120.A NH1 GLN 247.A OE1 no hydrogen 2.803 N/A HIS 121.A N GLU 117.A O no hydrogen 3.107 N/A CYS 122.A N ALA 118.A O no hydrogen 3.105 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.604 N/A HIS 123.A N VAL 119.A O no hydrogen 3.002 N/A ASN 124.A N ARG 120.A O no hydrogen 2.844 N/A VAL 126.A N CYS 122.A O no hydrogen 2.938 N/A LEU 127.A N ALA 154.A O no hydrogen 2.837 N/A HIS 128.A NE2 ILE 148.A O no hydrogen 2.863 N/A ARG 129.A NE SER 152.A O no hydrogen 2.833 N/A ARG 129.A NH1 ASP 163.A OD1 no hydrogen 3.482 N/A ARG 129.A NH1 ASP 163.A OD2 no hydrogen 2.984 N/A ARG 129.A NH1 TYR 181.A OH no hydrogen 3.081 N/A ARG 129.A NH2 SER 152.A O no hydrogen 3.176 N/A ARG 129.A NH2 GLY 153.A O no hydrogen 2.894 N/A ARG 129.A NH2 ASP 163.A OD2 no hydrogen 3.257 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.068 N/A LYS 132.A NZ GLU 134.A OE2 no hydrogen 3.143 N/A LYS 132.A NZ THR 167.A OG1 no hydrogen 2.975 N/A ASN 135.A N LYS 132.A O no hydrogen 3.171 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.677 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 2.867 N/A ILE 136.A N ASP 133.A O no hydrogen 3.192 N/A LEU 137.A N LYS 146.A O no hydrogen 2.986 N/A ILE 138.A N GLN 91.A O no hydrogen 2.740 N/A ASP 139.A N GLU 144.A O no hydrogen 2.811 N/A ASN 141.A N ASP 139.A OD2 no hydrogen 3.208 N/A GLY 143.A N ASP 139.A O no hydrogen 2.773 N/A LEU 145.A N GLN 114.A OE1 no hydrogen 2.882 N/A LYS 146.A N LEU 137.A O no hydrogen 2.884 N/A LYS 146.A NZ SER 65.A O no hydrogen 3.203 N/A LEU 147.A N GLY 66.A O no hydrogen 2.713 N/A ILE 148.A N ASN 135.A O no hydrogen 2.922 N/A GLY 151.A N ASP 149.A OD2 no hydrogen 3.102 N/A SER 152.A OG ASP 165.A O no hydrogen 3.380 N/A GLY 153.A N PHE 150.A O no hydrogen 3.163 N/A ALA 154.A N LEU 127.A O no hydrogen 2.980 N/A LEU 156.A N GLY 125.A O no hydrogen 2.520 N/A LYS 157.A NZ VAL 160.A O no hydrogen 3.118 N/A TYR 161.A N TYR 181.A O no hydrogen 2.799 N/A TYR 161.A OH LEU 155.A O no hydrogen 2.613 N/A THR 167.A N ASP 130.A OD1 no hydrogen 3.048 N/A THR 167.A OG1 ASP 130.A OD1 no hydrogen 2.730 N/A ARG 168.A NE ASP 208.A OD1 no hydrogen 3.195 N/A ARG 168.A NE ASP 208.A OD2 no hydrogen 3.049 N/A ARG 168.A NH2 ASP 208.A OD1 no hydrogen 2.673 N/A TYR 170.A N THR 167.A O no hydrogen 2.912 N/A SER 171.A N ARG 168.A O no hydrogen 2.625 N/A SER 171.A OG ARG 168.A O no hydrogen 2.528 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.710 N/A TRP 175.A N PRO 172.A O no hydrogen 2.969 N/A ILE 176.A N PRO 172.A O no hydrogen 3.329 N/A ARG 177.A N PRO 173.A O no hydrogen 2.882 N/A TYR 178.A N GLU 174.A O no hydrogen 2.909 N/A HIS 179.A N TRP 175.A O no hydrogen 2.766 N/A TYR 181.A N TYR 161.A O no hydrogen 3.136 N/A TYR 181.A OH ASP 163.A O no hydrogen 2.778 N/A SER 185.A OG HIS 182.A O no hydrogen 3.048 N/A ALA 186.A N HIS 182.A O no hydrogen 3.010 N/A ALA 187.A N GLY 183.A O no hydrogen 3.039 N/A VAL 188.A N ARG 184.A O no hydrogen 3.077 N/A TRP 189.A N SER 185.A O no hydrogen 3.172 N/A SER 190.A N ALA 186.A O no hydrogen 3.240 N/A SER 190.A OG ALA 187.A O no hydrogen 2.677 N/A LEU 191.A N ALA 187.A O no hydrogen 3.006 N/A GLY 192.A N VAL 188.A O no hydrogen 2.860 N/A ILE 193.A N TRP 189.A O no hydrogen 3.017 N/A LEU 194.A N SER 190.A O no hydrogen 2.879 N/A LEU 195.A N LEU 191.A O no hydrogen 2.938 N/A TYR 196.A N GLY 192.A O no hydrogen 3.200 N/A TYR 196.A OH PHE 217.A O no hydrogen 2.531 N/A ASP 197.A N ILE 193.A O no hydrogen 2.790 N/A MET 198.A N LEU 194.A O no hydrogen 2.918 N/A VAL 199.A N LEU 195.A O no hydrogen 3.017 N/A CYS 200.A N TYR 196.A O no hydrogen 2.910 N/A GLY 201.A N ASP 197.A O no hydrogen 2.708 N/A ILE 203.A N ASP 202.A OD1 no hydrogen 2.773 N/A GLU 206.A N GLU 210.A OE1 no hydrogen 2.739 N/A HIS 207.A N GLU 210.A OE1 no hydrogen 2.686 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.542 N/A ILE 211.A N HIS 207.A O no hydrogen 3.203 N/A ILE 212.A N ASP 208.A O no hydrogen 2.979 N/A ARG 213.A N GLU 209.A O no hydrogen 2.902 N/A GLY 214.A N GLU 210.A O no hydrogen 2.880 N/A ARG 219.A NH1 ILE 203.A O no hydrogen 3.373 N/A SER 223.A N GLU 105.A OE2 no hydrogen 2.820 N/A SER 223.A OG GLU 105.A OE1 no hydrogen 2.559 N/A SER 223.A OG GLU 105.A OE2 no hydrogen 3.333 N/A CYS 225.A N SER 223.A OG no hydrogen 3.327 N/A GLN 226.A N SER 223.A O no hydrogen 2.868 N/A GLN 226.A NE2 VAL 222.A O no hydrogen 3.119 N/A HIS 227.A ND1 HIS 249.A NE2 no hydrogen 2.800 N/A LEU 228.A N GLU 224.A O no hydrogen 2.874 N/A ILE 229.A N CYS 225.A O no hydrogen 2.929 N/A ARG 230.A N GLN 226.A O no hydrogen 3.110 N/A ARG 230.A NH1 GLN 226.A OE1 no hydrogen 2.964 N/A ARG 230.A NH2 VAL 216.A O no hydrogen 2.985 N/A TRP 231.A N HIS 227.A O no hydrogen 3.064 N/A TRP 231.A NE1 ASP 239.A O no hydrogen 3.120 N/A CYS 232.A N LEU 228.A O no hydrogen 3.119 N/A CYS 232.A SG LEU 228.A O no hydrogen 3.354 N/A LEU 233.A N ILE 229.A O no hydrogen 3.091 N/A ALA 234.A N TRP 231.A O no hydrogen 3.335 N/A ARG 236.A NE ASP 239.A OD1 no hydrogen 3.159 N/A ASP 239.A N ARG 236.A O no hydrogen 2.749 N/A ARG 240.A N PRO 237.A O no hydrogen 3.030 N/A ARG 240.A NE ALA 234.A O no hydrogen 2.889 N/A ARG 240.A NH1 GLU 174.A OE1 no hydrogen 3.566 N/A ARG 240.A NH1 GLU 174.A OE2 no hydrogen 2.682 N/A ARG 240.A NH1 SER 185.A O no hydrogen 3.237 N/A ARG 240.A NH2 GLU 174.A OE1 no hydrogen 2.824 N/A ARG 240.A NH2 GLU 174.A OE2 no hydrogen 3.529 N/A ARG 240.A NH2 ALA 234.A O no hydrogen 3.173 N/A THR 242.A N GLU 245.A OE1 no hydrogen 2.986 N/A THR 242.A OG1 GLU 245.A OE1 no hydrogen 3.452 N/A GLU 245.A N THR 242.A OG1 no hydrogen 2.964 N/A ILE 246.A N THR 242.A O no hydrogen 2.899 N/A GLN 247.A N PHE 243.A O no hydrogen 3.105 N/A GLN 247.A NE2 GLU 117.A OE2 no hydrogen 2.585 N/A ASN 248.A N GLU 244.A O no hydrogen 3.038 N/A HIS 249.A N ILE 246.A O no hydrogen 2.910 N/A HIS 249.A NE2 HIS 227.A ND1 no hydrogen 2.800 N/A TRP 251.A N HIS 249.A ND1 no hydrogen 2.924 N/A TRP 251.A NE1 GLU 105.A OE1 no hydrogen 2.769 N/A MET 252.A N HIS 249.A O no hydrogen 2.904 N/A GLN 253.A N PRO 250.A O no hydrogen 3.359 N/A LEU 257.A N GLU 260.A OE2 no hydrogen 3.079 N/A GLN 259.A NE2 ASN 141.A O no hydrogen 3.537 N/A GLN 259.A NE2 GLN 259.A O no hydrogen 3.117 N/A THR 261.A N LEU 257.A O no hydrogen 2.837 N/A THR 261.A OG1 SER 110.A OG no hydrogen 2.630 N/A THR 261.A OG1 LEU 257.A O no hydrogen 2.682 N/A ALA 262.A N PRO 258.A O no hydrogen 2.969 N/A GLU 263.A N GLN 259.A O no hydrogen 2.966 N/A ILE 264.A N GLU 260.A O no hydrogen 2.949 N/A HIS 265.A N THR 261.A O no hydrogen 2.911 N/A HIS 265.A NE2 GLU 106.A OE2 no hydrogen 2.704 N/A LEU 266.A N ALA 262.A O no hydrogen 2.695 N/A HIS 267.A N ALA 262.A O no hydrogen 2.805 N/A HIS 267.A NE2 ASN 141.A O no hydrogen 3.297 N/A