Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hwq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N GLU 1.A OE1 no hydrogen 3.353 N/A ALA 3.A N GLU 1.A OE2 no hydrogen 2.771 N/A ASP 4.A N GLU 1.A OE2 no hydrogen 3.196 N/A LEU 5.A N GLU 1.A O no hydrogen 3.005 N/A ARG 6.A N SER 2.A O no hydrogen 2.969 N/A ARG 6.A NH1 GLN 204.A OE1 no hydrogen 2.877 N/A ARG 6.A NH2 GLN 204.A OE1 no hydrogen 2.862 N/A ALA 7.A N ALA 3.A O no hydrogen 2.898 N/A LEU 8.A N ASP 4.A O no hydrogen 2.866 N/A ALA 9.A N LEU 5.A O no hydrogen 2.999 N/A LYS 10.A N ARG 6.A O no hydrogen 2.870 N/A LYS 10.A NZ ASP 14.A OD2 no hydrogen 3.438 N/A HIS 11.A N ALA 7.A O no hydrogen 2.943 N/A HIS 11.A NE2 SER 86.A O no hydrogen 2.646 N/A LEU 12.A N LEU 8.A O no hydrogen 3.031 N/A TYR 13.A N ALA 9.A O no hydrogen 3.138 N/A ASP 14.A N LYS 10.A O no hydrogen 2.956 N/A SER 15.A N HIS 11.A O no hydrogen 2.961 N/A SER 15.A OG HIS 11.A O no hydrogen 2.981 N/A SER 15.A OG SER 86.A OG no hydrogen 2.934 N/A TYR 16.A N LEU 12.A O no hydrogen 2.882 N/A TYR 16.A OH ASP 165.A OD1 no hydrogen 2.782 N/A ILE 17.A N TYR 13.A O no hydrogen 3.001 N/A LYS 18.A N ASP 14.A O no hydrogen 3.047 N/A LYS 18.A NZ ASP 14.A OD1 no hydrogen 3.363 N/A SER 19.A N SER 15.A O no hydrogen 2.676 N/A SER 19.A N TYR 16.A O no hydrogen 3.123 N/A SER 19.A OG SER 15.A O no hydrogen 2.725 N/A PHE 20.A N TYR 16.A O no hydrogen 2.907 N/A LYS 24.A N ASP 165.A OD1 no hydrogen 2.812 N/A LYS 24.A NZ LEU 163.A O no hydrogen 2.725 N/A ALA 25.A N ASP 165.A OD2 no hydrogen 2.931 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.234 N/A ALA 27.A N THR 23.A O no hydrogen 2.990 N/A ARG 28.A N LYS 24.A O no hydrogen 2.821 N/A ARG 28.A NH1 SER 116.A O no hydrogen 2.936 N/A ARG 28.A NH1 MET 118.A O no hydrogen 3.118 N/A ALA 29.A N ALA 25.A O no hydrogen 3.172 N/A ILE 30.A N LYS 26.A O no hydrogen 3.336 N/A LEU 31.A N ALA 27.A O no hydrogen 2.763 N/A THR 32.A N ARG 28.A O no hydrogen 2.935 N/A GLY 33.A N ILE 30.A O no hydrogen 3.126 N/A THR 35.A N ALA 29.A O no hydrogen 3.481 N/A THR 35.A OG1 ASP 37.A OD2 no hydrogen 2.764 N/A THR 36.A N ASP 37.A OD1 no hydrogen 2.885 N/A PHE 41.A N GLN 129.A O no hydrogen 3.120 N/A ILE 43.A N PHE 131.A O no hydrogen 2.748 N/A TYR 44.A N SER 48.A OG no hydrogen 2.972 N/A ASP 45.A N SER 48.A OG no hydrogen 2.987 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.858 N/A SER 48.A OG ASP 45.A O no hydrogen 3.293 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.423 N/A LEU 49.A N ASP 45.A O no hydrogen 3.004 N/A MET 50.A N MET 46.A O no hydrogen 3.039 N/A MET 51.A N ASN 47.A O no hydrogen 3.178 N/A GLY 52.A N SER 48.A O no hydrogen 2.741 N/A GLU 53.A N LEU 49.A O no hydrogen 2.824 N/A ASP 54.A N MET 50.A O no hydrogen 2.893 N/A LYS 55.A N GLY 52.A O no hydrogen 3.326 N/A LYS 57.A N LYS 55.A O no hydrogen 2.842 N/A ARG 64.A N GLU 60.A O no hydrogen 2.774 N/A ARG 64.A NE GLU 53.A OE2 no hydrogen 2.753 N/A ARG 64.A NH1 LYS 59.A O no hydrogen 3.460 N/A ARG 64.A NH2 GLU 53.A OE1 no hydrogen 2.485 N/A ARG 64.A NH2 GLU 53.A OE2 no hydrogen 3.171 N/A ILE 65.A N VAL 61.A O no hydrogen 2.770 N/A PHE 66.A N ALA 62.A O no hydrogen 3.325 N/A GLN 67.A N ILE 63.A O no hydrogen 3.072 N/A GLY 68.A N ARG 64.A O no hydrogen 3.319 N/A CYS 69.A N ILE 65.A O no hydrogen 3.115 N/A CYS 69.A SG ILE 65.A O no hydrogen 3.165 N/A GLN 70.A N PHE 66.A O no hydrogen 3.026 N/A PHE 71.A N GLN 67.A O no hydrogen 2.997 N/A ARG 72.A N GLY 68.A O no hydrogen 2.798 N/A SER 73.A N CYS 69.A O no hydrogen 2.873 N/A SER 73.A OG CYS 69.A O no hydrogen 3.037 N/A VAL 74.A N GLN 70.A O no hydrogen 3.050 N/A GLU 75.A N PHE 71.A O no hydrogen 3.160 N/A ALA 76.A N ARG 72.A O no hydrogen 2.794 N/A VAL 77.A N SER 73.A O no hydrogen 2.861 N/A GLN 78.A N VAL 74.A O no hydrogen 3.157 N/A GLN 78.A NE2 VAL 74.A O no hydrogen 3.255 N/A GLU 79.A N GLU 75.A O no hydrogen 3.145 N/A ILE 80.A N ALA 76.A O no hydrogen 2.912 N/A THR 81.A N VAL 77.A O no hydrogen 2.958 N/A THR 81.A OG1 VAL 77.A O no hydrogen 2.787 N/A GLU 82.A N GLN 78.A O no hydrogen 3.170 N/A TYR 83.A N GLU 79.A O no hydrogen 2.962 N/A TYR 83.A OH ALA 169.A O no hydrogen 2.464 N/A ALA 84.A N ILE 80.A O no hydrogen 2.787 N/A LYS 85.A N THR 81.A O no hydrogen 3.165 N/A SER 86.A N TYR 83.A O no hydrogen 3.004 N/A SER 86.A OG TYR 83.A O no hydrogen 2.867 N/A ILE 87.A N ALA 84.A O no hydrogen 2.995 N/A PHE 90.A N ILE 87.A O no hydrogen 2.955 N/A ASN 92.A N GLY 89.A O no hydrogen 3.285 N/A LEU 93.A N PHE 90.A O no hydrogen 3.127 N/A ASN 96.A ND2 ASP 94.A OD1 no hydrogen 3.161 N/A ASP 97.A N ASP 94.A OD1 no hydrogen 3.323 N/A GLN 98.A N ASP 94.A O no hydrogen 2.977 N/A GLN 98.A NE2 VAL 91.A O no hydrogen 3.196 N/A GLN 98.A NE2 LEU 93.A O no hydrogen 2.637 N/A VAL 99.A N LEU 95.A O no hydrogen 3.159 N/A THR 100.A N ASN 96.A O no hydrogen 3.039 N/A THR 100.A OG1 ASN 96.A O no hydrogen 3.010 N/A LEU 101.A N ASP 97.A O no hydrogen 2.847 N/A LEU 102.A N GLN 98.A O no hydrogen 3.039 N/A LYS 103.A N VAL 99.A O no hydrogen 2.835 N/A LYS 103.A NZ ILE 256.A O no hydrogen 2.897 N/A LYS 103.A NZ LYS 258.A O no hydrogen 2.510 N/A TYR 104.A N THR 100.A O no hydrogen 3.194 N/A GLY 105.A N LEU 101.A O no hydrogen 2.984 N/A GLY 105.A N LEU 102.A O no hydrogen 3.266 N/A VAL 106.A N LEU 102.A O no hydrogen 3.024 N/A ILE 109.A N GLY 105.A O no hydrogen 3.113 N/A ILE 110.A N VAL 106.A O no hydrogen 2.864 N/A TYR 111.A N HIS 107.A O no hydrogen 3.078 N/A THR 112.A N GLU 108.A O no hydrogen 3.107 N/A THR 112.A OG1 GLU 108.A O no hydrogen 2.954 N/A MET 113.A N ILE 109.A O no hydrogen 2.940 N/A LEU 114.A N ILE 110.A O no hydrogen 2.855 N/A ALA 115.A N TYR 111.A O no hydrogen 3.276 N/A SER 116.A N MET 113.A O no hydrogen 3.008 N/A LEU 117.A N LEU 114.A O no hydrogen 2.821 N/A MET 118.A N ALA 115.A O no hydrogen 3.137 N/A ASN 119.A N GLY 122.A O no hydrogen 3.087 N/A ASP 121.A N ASN 119.A OD1 no hydrogen 2.803 N/A VAL 123.A N MET 132.A O no hydrogen 2.932 N/A LEU 124.A N LEU 117.A O no hydrogen 2.950 N/A ILE 125.A N GLY 130.A O no hydrogen 2.744 N/A GLN 129.A N SER 126.A O no hydrogen 2.893 N/A GLN 129.A NE2 GLU 127.A O no hydrogen 3.262 N/A GLY 130.A N ILE 125.A O no hydrogen 2.891 N/A PHE 131.A N PHE 41.A O no hydrogen 2.915 N/A MET 132.A N VAL 123.A O no hydrogen 2.832 N/A THR 133.A N ILE 43.A O no hydrogen 2.896 N/A ARG 134.A N ASP 121.A O no hydrogen 2.893 N/A ARG 134.A NE GLU 149.A OE1 no hydrogen 3.187 N/A ARG 134.A NE GLU 149.A OE2 no hydrogen 3.200 N/A ARG 134.A NH1 LYS 120.A O no hydrogen 3.410 N/A ARG 134.A NH2 GLU 149.A OE2 no hydrogen 2.740 N/A PHE 136.A N THR 133.A OG1 no hydrogen 3.218 N/A LEU 137.A N THR 133.A O no hydrogen 3.101 N/A LYS 138.A N ARG 134.A O no hydrogen 2.765 N/A SER 139.A N GLU 135.A O no hydrogen 3.015 N/A SER 139.A N PHE 136.A O no hydrogen 2.948 N/A SER 139.A OG PHE 136.A O no hydrogen 2.417 N/A LEU 140.A N LEU 137.A O no hydrogen 3.300 N/A ARG 141.A NE GLU 60.A OE1 no hydrogen 2.635 N/A ARG 141.A NH2 GLU 244.A OE2 no hydrogen 3.122 N/A PHE 144.A N ARG 141.A O no hydrogen 3.017 N/A ASP 146.A N PRO 143.A O no hydrogen 3.105 N/A PHE 147.A N PHE 144.A O no hydrogen 3.460 N/A LYS 151.A N MET 148.A O no hydrogen 2.852 N/A LYS 151.A NZ PHE 147.A O no hydrogen 2.868 N/A LYS 151.A NZ HIS 233.A ND1 no hydrogen 3.322 N/A PHE 152.A N MET 148.A O no hydrogen 3.280 N/A GLU 153.A N GLU 149.A O no hydrogen 3.113 N/A PHE 154.A N PRO 150.A O no hydrogen 3.241 N/A ALA 155.A N LYS 151.A O no hydrogen 2.934 N/A VAL 156.A N PHE 152.A O no hydrogen 3.062 N/A PHE 158.A N PHE 154.A O no hydrogen 2.753 N/A ASN 159.A N ALA 155.A O no hydrogen 2.728 N/A ASN 159.A ND2 ALA 115.A O no hydrogen 2.866 N/A ALA 160.A N VAL 156.A O no hydrogen 3.296 N/A LEU 161.A N PHE 158.A O no hydrogen 3.009 N/A GLU 162.A N ASN 159.A O no hydrogen 3.098 N/A ASP 164.A N ASP 167.A OD2 no hydrogen 2.965 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.565 N/A ASP 167.A N ASP 164.A OD1 no hydrogen 3.033 N/A LEU 168.A N ASP 164.A O no hydrogen 2.870 N/A ALA 169.A N ASP 165.A O no hydrogen 2.858 N/A ILE 170.A N ASP 167.A O no hydrogen 3.230 N/A PHE 171.A N ASP 167.A O no hydrogen 3.160 N/A ILE 172.A N LEU 168.A O no hydrogen 2.927 N/A VAL 174.A N ILE 170.A O no hydrogen 3.014 N/A ILE 175.A N PHE 171.A O no hydrogen 3.050 N/A ILE 176.A N ILE 172.A O no hydrogen 3.026 N/A LEU 177.A N ALA 173.A O no hydrogen 3.040 N/A SER 178.A OG ILE 175.A O no hydrogen 2.518 N/A ARG 181.A NH1 GLU 108.A OE2 no hydrogen 3.028 N/A ARG 181.A NH2 GLU 108.A OE1 no hydrogen 2.774 N/A ARG 181.A NH2 ILE 175.A O no hydrogen 3.329 N/A LEU 185.A N ASP 97.A OD1 no hydrogen 2.718 N/A LEU 185.A N ASP 97.A OD2 no hydrogen 3.287 N/A ASN 186.A N ASP 97.A OD2 no hydrogen 2.889 N/A LYS 188.A NZ ASP 192.A OD1 no hydrogen 2.913 N/A LYS 188.A NZ ASP 192.A OD2 no hydrogen 3.075 N/A GLU 191.A N VAL 187.A O no hydrogen 3.032 N/A ASP 192.A N LYS 188.A O no hydrogen 2.754 N/A ILE 193.A N PRO 189.A O no hydrogen 3.246 N/A GLN 194.A N ILE 190.A O no hydrogen 2.788 N/A GLN 194.A NE2 VAL 174.A O no hydrogen 2.986 N/A ASP 195.A N GLU 191.A O no hydrogen 2.808 N/A ASN 196.A N ASP 192.A O no hydrogen 3.218 N/A LEU 197.A N ILE 193.A O no hydrogen 2.929 N/A LEU 198.A N GLN 194.A O no hydrogen 2.761 N/A GLN 199.A N ASP 195.A O no hydrogen 3.009 N/A GLN 199.A NE2 ASP 195.A OD1 no hydrogen 2.552 N/A ALA 200.A N ASN 196.A O no hydrogen 3.067 N/A LEU 201.A N LEU 197.A O no hydrogen 2.807 N/A GLU 202.A N LEU 198.A O no hydrogen 2.896 N/A LEU 203.A N GLN 199.A O no hydrogen 3.133 N/A GLN 204.A N ALA 200.A O no hydrogen 2.897 N/A GLN 204.A NE2 ASP 167.A OD1 no hydrogen 3.071 N/A LEU 205.A N LEU 201.A O no hydrogen 2.980 N/A LYS 206.A N GLU 202.A O no hydrogen 3.110 N/A LEU 207.A N LEU 203.A O no hydrogen 3.016 N/A ASN 208.A N GLN 204.A O no hydrogen 2.865 N/A ASN 208.A ND2 ASP 164.A OD2 no hydrogen 2.909 N/A ASN 208.A ND2 ASP 167.A OD1 no hydrogen 2.973 N/A ASN 208.A ND2 ASP 167.A OD2 no hydrogen 3.344 N/A HIS 209.A N LEU 205.A O no hydrogen 2.730 N/A HIS 209.A NE2 ASP 167.A OD2 no hydrogen 2.452 N/A SER 212.A N HIS 209.A O no hydrogen 3.216 N/A LEU 215.A N SER 212.A O no hydrogen 3.391 N/A LYS 218.A N GLN 214.A O no hydrogen 3.008 N/A LYS 218.A NZ SER 213.A O no hydrogen 2.764 N/A LEU 219.A N LEU 215.A O no hydrogen 2.818 N/A LEU 220.A N PHE 216.A O no hydrogen 2.997 N/A GLN 221.A N ALA 217.A O no hydrogen 2.924 N/A LYS 222.A N LYS 218.A O no hydrogen 3.313 N/A LYS 222.A N LEU 219.A O no hydrogen 2.978 N/A MET 223.A N LEU 220.A O no hydrogen 3.084 N/A THR 224.A N GLN 221.A O no hydrogen 3.132 N/A THR 224.A OG1 GLN 221.A O no hydrogen 3.421 N/A LEU 226.A N LYS 222.A O no hydrogen 2.894 N/A ARG 227.A N MET 223.A O no hydrogen 3.126 N/A ARG 227.A NH1 ASP 180.A OD2 no hydrogen 3.482 N/A ARG 227.A NH2 ASP 180.A OD1 no hydrogen 3.411 N/A ARG 227.A NH2 ASP 180.A OD2 no hydrogen 3.216 N/A GLN 228.A N THR 224.A O no hydrogen 3.279 N/A ILE 229.A N ASP 225.A O no hydrogen 3.085 N/A VAL 230.A N LEU 226.A O no hydrogen 3.111 N/A THR 231.A N ARG 227.A O no hydrogen 3.153 N/A THR 231.A OG1 GLN 228.A O no hydrogen 3.550 N/A GLU 232.A N GLN 228.A O no hydrogen 3.057 N/A HIS 233.A N ILE 229.A O no hydrogen 2.883 N/A VAL 234.A N VAL 230.A O no hydrogen 2.907 N/A GLN 235.A N THR 231.A O no hydrogen 3.045 N/A LEU 236.A N GLU 232.A O no hydrogen 2.974 N/A LEU 237.A N HIS 233.A O no hydrogen 2.904 N/A GLN 238.A N VAL 234.A O no hydrogen 3.245 N/A VAL 239.A N GLN 235.A O no hydrogen 3.223 N/A ILE 240.A N LEU 236.A O no hydrogen 3.023 N/A LYS 241.A N LEU 237.A O no hydrogen 3.174 N/A LYS 242.A N VAL 239.A O no hydrogen 3.025 N/A THR 243.A N VAL 239.A O no hydrogen 3.158 N/A THR 243.A OG1 VAL 239.A O no hydrogen 3.081 N/A THR 243.A OG1 GLU 244.A OE2 no hydrogen 2.679 N/A GLU 244.A N ILE 240.A O no hydrogen 3.184 N/A SER 248.A OG MET 247.A O no hydrogen 2.614 N/A LEU 252.A N HIS 250.A ND1 no hydrogen 2.875 N/A GLN 254.A N HIS 250.A O no hydrogen 2.726 N/A GLU 255.A N PRO 251.A O no hydrogen 3.051 N/A ILE 256.A N LEU 252.A O no hydrogen 3.143 N/A TYR 257.A N LEU 253.A O no hydrogen 3.014 N/A LYS 258.A N GLN 254.A O no hydrogen 2.704 N/A LYS 258.A NZ ASP 259.A OD2 no hydrogen 2.668 N/A LEU 260.A N TYR 257.A O no hydrogen 3.059 N/A