Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hwr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLU 1.A O no hydrogen 2.953 N/A ARG 6.A N SER 2.A O no hydrogen 2.801 N/A ARG 6.A NH1 GLN 204.A OE1 no hydrogen 2.888 N/A ARG 6.A NH2 GLN 204.A OE1 no hydrogen 3.107 N/A ALA 7.A N ALA 3.A O no hydrogen 3.091 N/A LEU 8.A N ASP 4.A O no hydrogen 2.800 N/A ALA 9.A N LEU 5.A O no hydrogen 2.859 N/A LYS 10.A N ARG 6.A O no hydrogen 2.945 N/A HIS 11.A N ALA 7.A O no hydrogen 3.045 N/A HIS 11.A NE2 SER 86.A O no hydrogen 2.853 N/A LEU 12.A N LEU 8.A O no hydrogen 3.168 N/A TYR 13.A N ALA 9.A O no hydrogen 3.057 N/A ASP 14.A N LYS 10.A O no hydrogen 2.917 N/A SER 15.A N HIS 11.A O no hydrogen 2.915 N/A SER 15.A OG SER 86.A OG no hydrogen 2.586 N/A TYR 16.A N LEU 12.A O no hydrogen 2.840 N/A TYR 16.A OH ASP 165.A OD1 no hydrogen 2.618 N/A ILE 17.A N TYR 13.A O no hydrogen 2.929 N/A LYS 18.A N ASP 14.A O no hydrogen 3.119 N/A LYS 18.A NZ ASP 14.A OD2 no hydrogen 2.621 N/A SER 19.A N SER 15.A O no hydrogen 2.923 N/A SER 19.A N TYR 16.A O no hydrogen 3.181 N/A SER 19.A OG SER 15.A O no hydrogen 2.854 N/A PHE 20.A N TYR 16.A O no hydrogen 3.072 N/A LYS 24.A N ASP 165.A OD1 no hydrogen 3.043 N/A LYS 24.A NZ LEU 163.A O no hydrogen 2.740 N/A ALA 25.A N ASP 165.A OD2 no hydrogen 3.025 N/A ALA 27.A N THR 23.A O no hydrogen 2.963 N/A ARG 28.A N LYS 24.A O no hydrogen 2.782 N/A ARG 28.A NH1 MET 118.A O no hydrogen 3.214 N/A ARG 28.A NH2 MET 118.A O no hydrogen 2.848 N/A ALA 29.A N ALA 25.A O no hydrogen 2.975 N/A ILE 30.A N LYS 26.A O no hydrogen 3.112 N/A LEU 31.A N ALA 27.A O no hydrogen 2.807 N/A THR 32.A N ARG 28.A O no hydrogen 2.744 N/A THR 35.A N ALA 29.A O no hydrogen 3.228 N/A THR 35.A OG1 ASP 37.A OD1 no hydrogen 3.062 N/A THR 35.A OG1 ASP 37.A OD2 no hydrogen 2.823 N/A PHE 41.A N GLN 129.A O no hydrogen 3.075 N/A ILE 43.A N PHE 131.A O no hydrogen 2.714 N/A TYR 44.A N SER 48.A OG no hydrogen 3.232 N/A ASP 45.A N SER 48.A OG no hydrogen 3.187 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.904 N/A SER 48.A OG ASP 45.A O no hydrogen 3.185 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.511 N/A LEU 49.A N ASP 45.A O no hydrogen 2.968 N/A MET 50.A N MET 46.A O no hydrogen 3.194 N/A MET 51.A N ASN 47.A O no hydrogen 3.180 N/A GLY 52.A N SER 48.A O no hydrogen 2.758 N/A GLU 53.A N LEU 49.A O no hydrogen 2.866 N/A ASP 54.A N MET 50.A O no hydrogen 3.023 N/A LYS 55.A N GLY 52.A O no hydrogen 3.373 N/A ARG 64.A N GLU 60.A O no hydrogen 2.874 N/A ARG 64.A NE GLU 53.A OE1 no hydrogen 2.720 N/A ARG 64.A NE GLU 53.A OE2 no hydrogen 3.459 N/A ARG 64.A NH2 GLU 53.A OE1 no hydrogen 2.505 N/A ILE 65.A N VAL 61.A O no hydrogen 2.989 N/A ILE 65.A N ALA 62.A O no hydrogen 3.221 N/A PHE 66.A N ALA 62.A O no hydrogen 2.960 N/A GLN 67.A N ILE 63.A O no hydrogen 2.799 N/A GLY 68.A N ARG 64.A O no hydrogen 3.226 N/A CYS 69.A N ILE 65.A O no hydrogen 3.010 N/A CYS 69.A SG ILE 65.A O no hydrogen 3.401 N/A PHE 71.A N GLN 67.A O no hydrogen 3.416 N/A ARG 72.A N GLY 68.A O no hydrogen 3.351 N/A ARG 72.A NH2 GLU 79.A OE1 no hydrogen 3.215 N/A ARG 72.A NH2 GLU 79.A OE2 no hydrogen 3.520 N/A SER 73.A N CYS 69.A O no hydrogen 2.811 N/A SER 73.A OG CYS 69.A O no hydrogen 3.509 N/A SER 73.A OG GLN 70.A O no hydrogen 3.549 N/A VAL 74.A N GLN 70.A O no hydrogen 2.816 N/A GLU 75.A N PHE 71.A O no hydrogen 3.268 N/A ALA 76.A N ARG 72.A O no hydrogen 3.070 N/A VAL 77.A N SER 73.A O no hydrogen 3.003 N/A GLN 78.A N VAL 74.A O no hydrogen 3.255 N/A GLU 79.A N GLU 75.A O no hydrogen 2.983 N/A ILE 80.A N ALA 76.A O no hydrogen 2.824 N/A THR 81.A N VAL 77.A O no hydrogen 2.830 N/A THR 81.A OG1 VAL 77.A O no hydrogen 3.019 N/A GLU 82.A N GLN 78.A O no hydrogen 3.033 N/A TYR 83.A N GLU 79.A O no hydrogen 3.088 N/A TYR 83.A OH ALA 169.A O no hydrogen 2.484 N/A ALA 84.A N ILE 80.A O no hydrogen 2.811 N/A LYS 85.A N THR 81.A O no hydrogen 3.120 N/A SER 86.A N TYR 83.A O no hydrogen 3.052 N/A SER 86.A OG SER 15.A OG no hydrogen 2.586 N/A SER 86.A OG TYR 83.A O no hydrogen 3.301 N/A ILE 87.A N ALA 84.A O no hydrogen 2.786 N/A PHE 90.A N ILE 87.A O no hydrogen 2.920 N/A LEU 93.A N PHE 90.A O no hydrogen 3.249 N/A ASN 96.A N ASP 94.A OD1 no hydrogen 2.878 N/A ASN 96.A ND2 ASP 94.A OD1 no hydrogen 3.183 N/A ASP 97.A N ASP 94.A O no hydrogen 3.066 N/A GLN 98.A N ASP 94.A O no hydrogen 3.007 N/A GLN 98.A NE2 LEU 93.A O no hydrogen 2.659 N/A VAL 99.A N LEU 95.A O no hydrogen 3.170 N/A THR 100.A N ASN 96.A O no hydrogen 3.085 N/A THR 100.A OG1 ASN 96.A O no hydrogen 2.769 N/A LEU 101.A N ASP 97.A O no hydrogen 3.030 N/A LEU 102.A N GLN 98.A O no hydrogen 3.288 N/A LYS 103.A N VAL 99.A O no hydrogen 2.972 N/A LYS 103.A NZ ILE 256.A O no hydrogen 2.803 N/A LYS 103.A NZ LYS 258.A O no hydrogen 2.436 N/A TYR 104.A N THR 100.A O no hydrogen 3.138 N/A GLY 105.A N LEU 101.A O no hydrogen 2.840 N/A VAL 106.A N LEU 102.A O no hydrogen 3.160 N/A ILE 109.A N GLY 105.A O no hydrogen 3.104 N/A ILE 110.A N VAL 106.A O no hydrogen 2.792 N/A TYR 111.A N HIS 107.A O no hydrogen 2.914 N/A THR 112.A N GLU 108.A O no hydrogen 3.093 N/A THR 112.A OG1 GLU 108.A O no hydrogen 2.786 N/A MET 113.A N ILE 109.A O no hydrogen 3.096 N/A LEU 114.A N ILE 110.A O no hydrogen 2.864 N/A ALA 115.A N TYR 111.A O no hydrogen 3.172 N/A LEU 117.A N LEU 114.A O no hydrogen 3.162 N/A MET 118.A N ALA 115.A O no hydrogen 3.074 N/A ASN 119.A N GLY 122.A O no hydrogen 3.084 N/A ASP 121.A N ASN 119.A OD1 no hydrogen 2.875 N/A GLY 122.A N ASN 119.A OD1 no hydrogen 2.776 N/A VAL 123.A N MET 132.A O no hydrogen 2.899 N/A LEU 124.A N LEU 117.A O no hydrogen 3.098 N/A ILE 125.A N GLY 130.A O no hydrogen 3.269 N/A GLY 128.A N ILE 125.A O no hydrogen 3.008 N/A GLN 129.A N ILE 125.A O no hydrogen 3.072 N/A GLN 129.A N SER 126.A O no hydrogen 3.027 N/A GLY 130.A N ILE 125.A O no hydrogen 3.213 N/A PHE 131.A N PHE 41.A O no hydrogen 2.943 N/A MET 132.A N VAL 123.A O no hydrogen 2.885 N/A THR 133.A N ILE 43.A O no hydrogen 2.987 N/A ARG 134.A N ASP 121.A O no hydrogen 2.820 N/A ARG 134.A NE GLU 149.A OE1 no hydrogen 3.123 N/A ARG 134.A NE GLU 149.A OE2 no hydrogen 3.115 N/A ARG 134.A NH1 LYS 120.A O no hydrogen 3.406 N/A ARG 134.A NH2 GLU 149.A OE2 no hydrogen 2.602 N/A PHE 136.A N THR 133.A OG1 no hydrogen 3.038 N/A LEU 137.A N THR 133.A O no hydrogen 3.135 N/A LYS 138.A N ARG 134.A O no hydrogen 3.019 N/A SER 139.A N PHE 136.A O no hydrogen 2.987 N/A SER 139.A OG PHE 136.A O no hydrogen 2.827 N/A ARG 141.A NE GLU 60.A OE2 no hydrogen 2.788 N/A ARG 141.A NH1 GLU 244.A OE1 no hydrogen 3.211 N/A ARG 141.A NH1 GLU 244.A OE2 no hydrogen 2.903 N/A ARG 141.A NH2 GLU 244.A OE1 no hydrogen 2.614 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 3.263 N/A PHE 144.A N ARG 141.A O no hydrogen 3.126 N/A ASP 146.A N PRO 143.A O no hydrogen 2.772 N/A LYS 151.A NZ PHE 147.A O no hydrogen 2.912 N/A LYS 151.A NZ HIS 233.A ND1 no hydrogen 3.052 N/A PHE 152.A N MET 148.A O no hydrogen 3.403 N/A GLU 153.A N GLU 149.A O no hydrogen 2.986 N/A PHE 154.A N PRO 150.A O no hydrogen 3.090 N/A ALA 155.A N LYS 151.A O no hydrogen 3.132 N/A VAL 156.A N PHE 152.A O no hydrogen 3.081 N/A PHE 158.A N PHE 154.A O no hydrogen 2.752 N/A ASN 159.A N ALA 155.A O no hydrogen 2.651 N/A ASN 159.A ND2 ALA 115.A O no hydrogen 2.974 N/A ALA 160.A N LYS 157.A O no hydrogen 3.286 N/A LEU 161.A N PHE 158.A O no hydrogen 3.192 N/A GLU 162.A N ASN 159.A O no hydrogen 3.253 N/A ASP 164.A N ASP 167.A OD2 no hydrogen 3.097 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.676 N/A ASP 167.A N ASP 164.A OD1 no hydrogen 2.932 N/A LEU 168.A N ASP 164.A O no hydrogen 2.971 N/A ALA 169.A N ASP 165.A O no hydrogen 2.776 N/A ILE 170.A N ASP 167.A O no hydrogen 3.261 N/A PHE 171.A N ASP 167.A O no hydrogen 3.163 N/A ILE 172.A N LEU 168.A O no hydrogen 2.952 N/A ALA 173.A N ALA 169.A O no hydrogen 3.468 N/A VAL 174.A N ILE 170.A O no hydrogen 2.936 N/A ILE 175.A N PHE 171.A O no hydrogen 3.127 N/A ILE 176.A N ILE 172.A O no hydrogen 3.124 N/A LEU 177.A N ALA 173.A O no hydrogen 3.305 N/A SER 178.A OG ILE 175.A O no hydrogen 2.468 N/A ARG 181.A NH1 GLU 108.A OE2 no hydrogen 2.849 N/A ARG 181.A NH2 GLU 108.A OE1 no hydrogen 3.181 N/A ARG 181.A NH2 GLU 108.A OE2 no hydrogen 3.555 N/A ARG 181.A NH2 ILE 175.A O no hydrogen 3.260 N/A LEU 185.A N ASP 97.A OD1 no hydrogen 2.991 N/A LYS 188.A NZ ASP 192.A OD1 no hydrogen 3.010 N/A GLU 191.A N VAL 187.A O no hydrogen 3.047 N/A ASP 192.A N LYS 188.A O no hydrogen 2.937 N/A ILE 193.A N PRO 189.A O no hydrogen 3.387 N/A GLN 194.A N ILE 190.A O no hydrogen 2.863 N/A GLN 194.A NE2 VAL 174.A O no hydrogen 2.890 N/A ASP 195.A N GLU 191.A O no hydrogen 2.916 N/A ASN 196.A N ASP 192.A O no hydrogen 3.430 N/A LEU 197.A N ILE 193.A O no hydrogen 2.904 N/A LEU 198.A N GLN 194.A O no hydrogen 2.708 N/A GLN 199.A N ASP 195.A O no hydrogen 2.987 N/A ALA 200.A N ASN 196.A O no hydrogen 3.087 N/A LEU 201.A N LEU 197.A O no hydrogen 2.763 N/A GLU 202.A N LEU 198.A O no hydrogen 2.810 N/A LEU 203.A N GLN 199.A O no hydrogen 3.159 N/A GLN 204.A N ALA 200.A O no hydrogen 2.948 N/A GLN 204.A NE2 ASP 167.A OD1 no hydrogen 2.943 N/A LEU 205.A N LEU 201.A O no hydrogen 3.067 N/A LYS 206.A N GLU 202.A O no hydrogen 3.139 N/A LEU 207.A N LEU 203.A O no hydrogen 2.948 N/A ASN 208.A N GLN 204.A O no hydrogen 2.830 N/A ASN 208.A ND2 ASP 164.A OD2 no hydrogen 2.682 N/A ASN 208.A ND2 ASP 167.A OD1 no hydrogen 2.925 N/A HIS 209.A N LEU 205.A O no hydrogen 2.776 N/A HIS 209.A NE2 ASP 167.A OD2 no hydrogen 2.559 N/A SER 212.A N HIS 209.A O no hydrogen 3.027 N/A LEU 215.A N SER 212.A O no hydrogen 3.350 N/A LYS 218.A N GLN 214.A O no hydrogen 3.085 N/A LYS 218.A NZ SER 213.A O no hydrogen 2.615 N/A LEU 219.A N LEU 215.A O no hydrogen 2.809 N/A LEU 220.A N PHE 216.A O no hydrogen 2.991 N/A GLN 221.A N ALA 217.A O no hydrogen 2.967 N/A LYS 222.A N LYS 218.A O no hydrogen 3.395 N/A MET 223.A N LEU 220.A O no hydrogen 3.267 N/A THR 224.A N GLN 221.A O no hydrogen 3.047 N/A LEU 226.A N LYS 222.A O no hydrogen 2.975 N/A ARG 227.A NH1 ASP 180.A OD2 no hydrogen 3.435 N/A ARG 227.A NH2 ASP 180.A OD2 no hydrogen 3.212 N/A GLN 228.A N THR 224.A O no hydrogen 3.271 N/A ILE 229.A N ASP 225.A O no hydrogen 3.115 N/A VAL 230.A N LEU 226.A O no hydrogen 3.149 N/A THR 231.A N ARG 227.A O no hydrogen 3.068 N/A THR 231.A OG1 ARG 227.A O no hydrogen 3.196 N/A THR 231.A OG1 GLN 228.A O no hydrogen 3.042 N/A GLU 232.A N GLN 228.A O no hydrogen 2.959 N/A HIS 233.A N ILE 229.A O no hydrogen 2.931 N/A VAL 234.A N VAL 230.A O no hydrogen 3.155 N/A GLN 235.A N THR 231.A O no hydrogen 3.167 N/A LEU 236.A N GLU 232.A O no hydrogen 3.009 N/A LEU 237.A N HIS 233.A O no hydrogen 2.909 N/A GLN 238.A NE2 VAL 234.A O no hydrogen 3.557 N/A VAL 239.A N GLN 235.A O no hydrogen 3.428 N/A ILE 240.A N LEU 236.A O no hydrogen 3.273 N/A ILE 240.A N LEU 237.A O no hydrogen 3.130 N/A LYS 241.A N GLN 238.A O no hydrogen 3.182 N/A LYS 242.A N VAL 239.A O no hydrogen 3.325 N/A THR 243.A N VAL 239.A O no hydrogen 3.138 N/A THR 243.A OG1 VAL 239.A O no hydrogen 2.742 N/A THR 243.A OG1 GLU 244.A OE2 no hydrogen 3.270 N/A HIS 250.A N GLN 70.A OE1 no hydrogen 3.114 N/A LEU 252.A N HIS 250.A ND1 no hydrogen 3.147 N/A LEU 253.A N HIS 250.A O no hydrogen 2.915 N/A GLN 254.A N HIS 250.A O no hydrogen 3.032 N/A GLU 255.A N PRO 251.A O no hydrogen 3.382 N/A ILE 256.A N LEU 252.A O no hydrogen 3.237 N/A TYR 257.A N LEU 253.A O no hydrogen 2.762 N/A LYS 258.A N GLU 255.A O no hydrogen 3.239 N/A