Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xqr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N ASP 53.A OD1 no hydrogen 2.941 N/A ARG 1.A N ASP 53.A OD2 no hydrogen 3.388 N/A GLY 2.A N ASP 53.A OD2 no hydrogen 2.849 N/A GLN 3.A N GLU 6.A OE1 no hydrogen 3.207 N/A VAL 7.A N GLN 3.A O no hydrogen 3.027 N/A GLU 8.A N ARG 4.A O no hydrogen 3.068 N/A GLN 9.A N GLY 5.A O no hydrogen 3.167 N/A SER 11.A N GLU 8.A O no hydrogen 2.949 N/A SER 11.A OG GLU 8.A O no hydrogen 2.967 N/A CYS 12.A N GLN 9.A O no hydrogen 2.864 N/A CYS 12.A SG GLN 9.A O no hydrogen 3.393 N/A CYS 12.A SG ALA 38.A O no hydrogen 3.760 N/A ARG 14.A N LYS 10.A O no hydrogen 2.942 N/A VAL 15.A N SER 11.A O no hydrogen 3.165 N/A LEU 16.A N CYS 12.A O no hydrogen 3.081 N/A SER 17.A N LEU 13.A O no hydrogen 2.849 N/A GLN 18.A N VAL 15.A O no hydrogen 3.287 N/A GLN 18.A NE2 ARG 14.A O no hydrogen 3.079 N/A GLN 28.A N GLY 24.A O no hydrogen 3.345 N/A ALA 29.A N GLU 25.A O no hydrogen 3.222 N/A ALA 30.A N ALA 26.A O no hydrogen 3.129 N/A ASP 31.A N GLU 27.A O no hydrogen 3.093 N/A GLN 32.A N GLN 28.A O no hydrogen 2.902 N/A GLN 32.A NE2 GLU 36.A OE2 no hydrogen 2.863 N/A GLN 33.A N ALA 29.A O no hydrogen 2.995 N/A GLU 34.A N ALA 30.A O no hydrogen 3.135 N/A ARG 35.A N ASP 31.A O no hydrogen 3.171 N/A ARG 35.A NE TYR 66.A OH no hydrogen 2.929 N/A ARG 35.A NH1 ASP 31.A OD1 no hydrogen 2.651 N/A GLU 36.A N GLN 32.A O no hydrogen 2.859 N/A GLY 37.A N GLN 33.A O no hydrogen 2.915 N/A ALA 38.A N GLU 34.A O no hydrogen 2.936 N/A LEU 39.A N ARG 35.A O no hydrogen 2.941 N/A GLU 40.A N GLU 36.A O no hydrogen 3.109 N/A LEU 41.A N GLY 37.A O no hydrogen 3.215 N/A LEU 42.A N ALA 38.A O no hydrogen 3.127 N/A ALA 43.A N LEU 39.A O no hydrogen 2.989 N/A ASP 44.A N GLU 40.A O no hydrogen 3.006 N/A LEU 45.A N LEU 41.A O no hydrogen 3.176 N/A CYS 46.A N LEU 42.A O no hydrogen 2.768 N/A CYS 46.A SG LEU 42.A O no hydrogen 3.312 N/A GLU 47.A N ALA 43.A O no hydrogen 3.147 N/A ASN 48.A N LEU 45.A O no hydrogen 3.198 N/A ASN 50.A ND2 GLU 6.A OE1 no hydrogen 3.446 N/A ASN 50.A ND2 LEU 45.A O no hydrogen 3.227 N/A ALA 51.A N ASN 48.A O no hydrogen 3.184 N/A ASP 53.A N ASP 49.A O no hydrogen 3.135 N/A PHE 54.A N ASN 50.A O no hydrogen 2.836 N/A CYS 55.A N ALA 51.A O no hydrogen 3.145 N/A CYS 55.A SG ALA 51.A O no hydrogen 3.452 N/A GLN 56.A N ALA 52.A O no hydrogen 3.090 N/A LEU 57.A N ASP 53.A O no hydrogen 2.907 N/A LEU 57.A N PHE 54.A O no hydrogen 3.134 N/A SER 58.A N CYS 55.A O no hydrogen 2.964 N/A GLY 59.A N PHE 54.A O no hydrogen 3.009 N/A LEU 61.A N SER 58.A O no hydrogen 3.282 N/A LEU 62.A N GLY 59.A O no hydrogen 3.094 N/A GLY 64.A N HIS 60.A O no hydrogen 3.027 N/A ARG 65.A N LEU 61.A O no hydrogen 3.025 N/A ARG 65.A NH1 SER 17.A O no hydrogen 3.259 N/A ARG 65.A NH1 GLN 18.A O no hydrogen 3.558 N/A ARG 65.A NH2 GLN 18.A O no hydrogen 3.006 N/A TYR 66.A N LEU 62.A O no hydrogen 3.190 N/A TYR 66.A OH LEU 16.A O no hydrogen 2.636 N/A LEU 67.A N LEU 62.A O no hydrogen 3.152 N/A ALA 69.A N TYR 66.A O no hydrogen 3.251 N/A ARG 75.A N ALA 71.A O no hydrogen 3.021 N/A ARG 75.A NE ASP 112.A OD2 no hydrogen 2.763 N/A ARG 75.A NH1 ALA 69.A O no hydrogen 2.699 N/A ARG 75.A NH1 GLY 70.A O no hydrogen 3.063 N/A ARG 75.A NH2 ASP 112.A OD1 no hydrogen 3.185 N/A ARG 75.A NH2 ASP 112.A OD2 no hydrogen 3.097 N/A TRP 76.A N ALA 72.A O no hydrogen 2.974 N/A ARG 77.A NE GLU 40.A OE2 no hydrogen 2.964 N/A ARG 77.A NH1 GLY 73.A O no hydrogen 2.830 N/A ARG 77.A NH2 GLU 40.A OE2 no hydrogen 3.276 N/A ALA 78.A N LEU 74.A O no hydrogen 2.901 N/A ALA 79.A N ARG 75.A O no hydrogen 2.947 N/A GLN 80.A N TRP 76.A O no hydrogen 2.903 N/A LEU 81.A N ARG 77.A O no hydrogen 3.048 N/A ILE 82.A N ALA 78.A O no hydrogen 3.026 N/A GLY 83.A N ALA 79.A O no hydrogen 3.138 N/A THR 84.A N GLN 80.A O no hydrogen 2.849 N/A THR 84.A OG1 GLN 80.A O no hydrogen 3.053 N/A CYS 85.A N LEU 81.A O no hydrogen 2.981 N/A CYS 85.A SG LEU 81.A O no hydrogen 3.415 N/A SER 86.A N ILE 82.A O no hydrogen 3.223 N/A SER 86.A N GLY 83.A O no hydrogen 3.251 N/A SER 86.A OG ILE 82.A O no hydrogen 3.047 N/A SER 86.A OG GLY 83.A O no hydrogen 3.422 N/A GLN 87.A N GLY 83.A O no hydrogen 3.002 N/A VAL 89.A N SER 86.A O no hydrogen 3.188 N/A ILE 92.A N VAL 89.A O no hydrogen 3.229 N/A GLN 93.A N VAL 89.A O no hydrogen 3.122 N/A GLN 93.A NE2 SER 86.A O no hydrogen 2.904 N/A GLU 94.A N ALA 90.A O no hydrogen 3.089 N/A GLN 95.A N ALA 91.A O no hydrogen 3.100 N/A VAL 96.A N ILE 92.A O no hydrogen 2.776 N/A LEU 97.A N GLN 93.A O no hydrogen 2.931 N/A GLY 98.A N GLU 94.A O no hydrogen 2.915 N/A LEU 99.A N GLN 95.A O no hydrogen 3.149 N/A LEU 99.A N VAL 96.A O no hydrogen 3.109 N/A GLY 100.A N LEU 97.A O no hydrogen 3.303 N/A LYS 104.A NZ GLU 68.A OE2 no hydrogen 2.764 N/A LEU 105.A N ALA 101.A O no hydrogen 2.845 N/A LEU 106.A N LEU 102.A O no hydrogen 2.930 N/A ARG 107.A N ARG 103.A O no hydrogen 3.127 N/A ARG 107.A NH2 GLU 68.A OE2 no hydrogen 2.538 N/A LEU 108.A N LYS 104.A O no hydrogen 3.024 N/A LEU 109.A N LEU 105.A O no hydrogen 2.933 N/A ASP 110.A N LEU 106.A O no hydrogen 2.945 N/A ARG 111.A N ARG 107.A O no hydrogen 2.915 N/A ASP 112.A N LEU 108.A O no hydrogen 3.032 N/A CYS 114.A N ASP 112.A OD1 no hydrogen 2.899 N/A ARG 118.A N CYS 114.A O no hydrogen 3.307 N/A ARG 118.A NE LEU 109.A O no hydrogen 2.574 N/A ARG 118.A NH2 LEU 109.A O no hydrogen 2.872 N/A VAL 119.A N ASP 115.A O no hydrogen 3.116 N/A LYS 120.A N THR 116.A O no hydrogen 3.016 N/A LYS 120.A NZ GLN 80.A OE1 no hydrogen 2.838 N/A ALA 121.A N VAL 117.A O no hydrogen 2.824 N/A LEU 122.A N ARG 118.A O no hydrogen 2.970 N/A PHE 123.A N VAL 119.A O no hydrogen 3.011 N/A ALA 124.A N LYS 120.A O no hydrogen 2.934 N/A ILE 125.A N ALA 121.A O no hydrogen 2.940 N/A SER 126.A N LEU 122.A O no hydrogen 2.854 N/A CYS 127.A N PHE 123.A O no hydrogen 3.067 N/A CYS 127.A SG GLY 83.A O no hydrogen 3.568 N/A CYS 127.A SG PHE 123.A O no hydrogen 3.440 N/A LEU 128.A N ALA 124.A O no hydrogen 3.126 N/A LEU 128.A N ILE 125.A O no hydrogen 3.110 N/A LEU 136.A N GLN 132.A O no hydrogen 3.064 N/A LEU 137.A N GLU 133.A O no hydrogen 2.905 N/A GLN 138.A N ALA 134.A O no hydrogen 3.024 N/A PHE 139.A N GLY 135.A O no hydrogen 2.730 N/A LEU 140.A N LEU 136.A O no hydrogen 2.912 N/A ARG 141.A N LEU 137.A O no hydrogen 3.046 N/A LEU 142.A N GLN 138.A O no hydrogen 2.885 N/A ASP 143.A N LEU 140.A O no hydrogen 3.090 N/A GLY 144.A N PHE 139.A O no hydrogen 2.854 N/A SER 146.A N ASP 143.A O no hydrogen 3.166 N/A SER 146.A OG ASP 143.A OD1 no hydrogen 2.599 N/A SER 146.A OG ASP 143.A OD2 no hydrogen 3.148 N/A VAL 147.A N ASP 143.A O no hydrogen 3.330 N/A LEU 148.A N GLY 144.A O no hydrogen 2.854 N/A ARG 149.A NH1 ASP 110.A OD1 no hydrogen 3.375 N/A ALA 150.A N VAL 147.A O no hydrogen 3.066 N/A GLN 152.A N ARG 149.A O no hydrogen 3.053 N/A GLN 152.A NE2 ALA 150.A O no hydrogen 2.594 N/A GLN 152.A NE2 VAL 154.A O no hydrogen 3.166 N/A VAL 154.A N GLN 152.A OE1 no hydrogen 2.993 N/A LYS 158.A N VAL 154.A O no hydrogen 3.063 N/A LYS 158.A NZ GLN 152.A O no hydrogen 2.788 N/A VAL 159.A N GLN 155.A O no hydrogen 2.900 N/A LYS 160.A N LYS 156.A O no hydrogen 3.034 N/A SER 161.A N LEU 157.A O no hydrogen 3.018 N/A SER 161.A OG LEU 157.A O no hydrogen 2.829 N/A ALA 162.A N LYS 158.A O no hydrogen 3.057 N/A PHE 163.A N VAL 159.A O no hydrogen 2.997 N/A LEU 164.A N LYS 160.A O no hydrogen 3.084 N/A LEU 165.A N SER 161.A O no hydrogen 2.974 N/A GLN 166.A N ALA 162.A O no hydrogen 2.966 N/A ASN 167.A N PHE 163.A O no hydrogen 3.046 N/A LEU 168.A N LEU 164.A O no hydrogen 2.869 N/A LEU 169.A N LEU 165.A O no hydrogen 2.913 N/A VAL 170.A N GLN 166.A O no hydrogen 3.122 N/A VAL 170.A N ASN 167.A O no hydrogen 3.198 N/A GLY 171.A N ASN 167.A O no hydrogen 3.106 N/A HIS 172.A N LEU 168.A O no hydrogen 2.843 N/A HIS 172.A NE2 ARG 130.A O no hydrogen 3.015 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.817 N/A HIS 175.A N HIS 172.A O no hydrogen 3.242 N/A LYS 176.A N PRO 173.A O no hydrogen 3.310 N/A LYS 176.A NZ SER 207.A O no hydrogen 2.926 N/A LYS 176.A NZ THR 210.A O no hydrogen 3.108 N/A LEU 179.A N HIS 175.A O no hydrogen 3.143 N/A CYS 180.A N LYS 176.A O no hydrogen 2.896 N/A CYS 180.A SG LYS 176.A O no hydrogen 3.516 N/A SER 181.A N GLY 177.A O no hydrogen 2.933 N/A SER 181.A OG GLY 177.A O no hydrogen 3.100 N/A GLN 185.A N GLY 182.A O no hydrogen 3.230 N/A VAL 187.A N VAL 183.A O no hydrogen 2.962 N/A ALA 188.A N GLN 184.A O no hydrogen 2.971 N/A LEU 189.A N GLN 185.A O no hydrogen 3.327 N/A VAL 190.A N LEU 186.A O no hydrogen 3.147 N/A ARG 191.A N ALA 188.A O no hydrogen 3.264 N/A ARG 191.A NH2 LEU 224.A O no hydrogen 2.909 N/A ARG 191.A NH2 GLY 225.A O no hydrogen 3.432 N/A THR 192.A N LEU 189.A O no hydrogen 3.154 N/A THR 192.A OG1 LEU 189.A O no hydrogen 2.588 N/A HIS 198.A N SER 195.A O no hydrogen 3.057 N/A GLU 199.A N PRO 196.A O no hydrogen 3.283 N/A HIS 200.A N PHE 197.A O no hydrogen 3.258 N/A HIS 200.A ND1 GLN 166.A OE1 no hydrogen 2.792 N/A VAL 201.A N PHE 197.A O no hydrogen 3.401 N/A LEU 202.A N HIS 198.A O no hydrogen 2.938 N/A GLY 203.A N GLU 199.A O no hydrogen 2.883 N/A ALA 204.A N HIS 200.A O no hydrogen 2.941 N/A LEU 205.A N VAL 201.A O no hydrogen 3.076 N/A CYS 206.A N LEU 202.A O no hydrogen 2.952 N/A CYS 206.A SG LEU 202.A O no hydrogen 3.819 N/A CYS 206.A SG PHE 249.A O no hydrogen 3.434 N/A SER 207.A N GLY 203.A O no hydrogen 3.204 N/A LEU 208.A N ALA 204.A O no hydrogen 3.278 N/A VAL 209.A N CYS 206.A O no hydrogen 3.312 N/A THR 210.A N CYS 206.A O no hydrogen 3.194 N/A THR 210.A N SER 207.A O no hydrogen 3.340 N/A THR 210.A OG1 CYS 206.A O no hydrogen 2.755 N/A GLN 214.A NE2 SER 181.A OG no hydrogen 3.052 N/A VAL 216.A N PHE 212.A O no hydrogen 3.263 N/A ARG 217.A N PRO 213.A O no hydrogen 2.894 N/A GLU 218.A N GLN 214.A O no hydrogen 3.053 N/A CYS 219.A N GLY 215.A O no hydrogen 3.122 N/A CYS 219.A SG GLY 215.A O no hydrogen 3.550 N/A ARG 220.A N VAL 216.A O no hydrogen 3.080 N/A ARG 220.A N ARG 217.A O no hydrogen 3.062 N/A ARG 220.A NE CYS 257.A O no hydrogen 2.788 N/A ARG 220.A NH2 CYS 257.A O no hydrogen 3.320 N/A GLU 221.A N GLU 218.A O no hydrogen 3.337 N/A LEU 224.A N GLU 221.A O no hydrogen 3.220 N/A LEU 229.A N GLY 225.A O no hydrogen 3.465 N/A LEU 230.A N LEU 226.A O no hydrogen 2.861 N/A ARG 231.A N GLU 227.A O no hydrogen 2.864 N/A ARG 231.A NE GLU 227.A OE2 no hydrogen 2.903 N/A ARG 231.A NH2 GLU 227.A OE2 no hydrogen 3.007 N/A HIS 232.A N GLU 228.A O no hydrogen 2.986 N/A ARG 233.A N LEU 229.A O no hydrogen 2.979 N/A ARG 233.A NE GLU 246.A OE2 no hydrogen 3.093 N/A CYS 234.A N LEU 230.A O no hydrogen 2.834 N/A CYS 234.A SG LEU 230.A O no hydrogen 3.675 N/A GLN 235.A N ARG 231.A O no hydrogen 3.299 N/A LEU 236.A N HIS 232.A O no hydrogen 3.042 N/A LEU 237.A N ARG 233.A O no hydrogen 3.052 N/A HIS 240.A N LEU 237.A O no hydrogen 3.080 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 2.712 N/A TYR 243.A N HIS 240.A O no hydrogen 2.881 N/A GLN 244.A N GLU 241.A O no hydrogen 3.350 N/A GLN 244.A NE2 GLN 244.A O no hydrogen 3.646 N/A LEU 247.A N TYR 243.A O no hydrogen 3.044 N/A GLU 248.A N GLN 244.A O no hydrogen 2.965 N/A PHE 249.A N GLU 245.A O no hydrogen 3.106 N/A CYS 250.A N GLU 246.A O no hydrogen 2.982 N/A CYS 250.A SG GLU 246.A O no hydrogen 3.594 N/A GLU 251.A N LEU 247.A O no hydrogen 2.951 N/A LYS 252.A N GLU 248.A O no hydrogen 2.950 N/A LYS 252.A NZ THR 210.A OG1 no hydrogen 2.531 N/A LEU 253.A N PHE 249.A O no hydrogen 2.949 N/A LEU 254.A N CYS 250.A O no hydrogen 3.074 N/A GLN 255.A N GLU 251.A O no hydrogen 3.102 N/A THR 256.A N LYS 252.A O no hydrogen 2.870 N/A THR 256.A OG1 LYS 252.A O no hydrogen 3.066 N/A CYS 257.A N LEU 253.A O no hydrogen 2.766 N/A PHE 258.A N LEU 254.A O no hydrogen 2.776 N/A SER 259.A OG PHE 258.A O no hydrogen 2.942 N/A