Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASN 232.A O no hydrogen 3.315 N/A LYS 2.A NZ MET 234.A O no hydrogen 3.045 N/A LYS 2.A NZ ASP 236.A OD1 no hydrogen 2.983 N/A LYS 2.A NZ ASP 236.A OD2 no hydrogen 3.001 N/A THR 4.A N ASN 232.A OD1 no hydrogen 3.051 N/A THR 4.A OG1 SER 235.A O no hydrogen 2.645 N/A THR 4.A OG1 SER 235.A OG no hydrogen 3.157 N/A GLN 5.A N ASP 236.A O no hydrogen 3.040 N/A ILE 7.A N HIS 238.A O no hydrogen 3.026 N/A THR 8.A N GLU 11.A OE2 no hydrogen 2.966 N/A THR 8.A OG1 GLU 10.A OE1 no hydrogen 2.612 N/A GLU 10.A N THR 8.A OG1 no hydrogen 3.279 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 3.067 N/A LEU 12.A N THR 8.A O no hydrogen 3.021 N/A ALA 13.A N LEU 9.A O no hydrogen 2.823 N/A LYS 14.A N GLU 10.A O no hydrogen 3.019 N/A LYS 14.A NZ GLU 10.A O no hydrogen 2.920 N/A ILE 15.A N GLU 11.A O no hydrogen 3.106 N/A ILE 16.A N LEU 12.A O no hydrogen 2.955 N/A LYS 17.A N ALA 13.A O no hydrogen 2.914 N/A LYS 17.A NZ SER 256.A OG no hydrogen 3.052 N/A LYS 18.A N ILE 15.A O no hydrogen 3.319 N/A CYS 19.A N ILE 16.A O no hydrogen 2.762 N/A CYS 19.A SG ILE 15.A O no hydrogen 3.441 N/A LYS 20.A N ASP 192.A OD1 no hydrogen 2.683 N/A HIS 21.A N ASP 192.A OD2 no hydrogen 2.747 N/A VAL 22.A N TYR 98.A O no hydrogen 2.883 N/A VAL 23.A N LEU 193.A O no hydrogen 2.921 N/A ALA 24.A N SER 101.A O no hydrogen 2.944 N/A LEU 25.A N LEU 195.A O no hydrogen 2.593 N/A THR 26.A N VAL 103.A O no hydrogen 2.863 N/A THR 26.A OG1 THR 104.A OG1 no hydrogen 2.762 N/A THR 26.A OG1 HIS 111.A NE2 no hydrogen 2.518 N/A GLY 27.A N ILE 197.A O no hydrogen 3.270 N/A GLY 29.A N GLY 198.A O no hydrogen 2.704 N/A THR 30.A N GLY 27.A O no hydrogen 3.048 N/A THR 30.A OG1 GLY 27.A O no hydrogen 2.907 N/A SER 31.A N SER 28.A O no hydrogen 2.999 N/A SER 31.A OG ASP 108.A OD1 no hydrogen 2.598 N/A ALA 32.A N SER 28.A O no hydrogen 3.026 N/A ALA 32.A N GLY 29.A O no hydrogen 3.359 N/A SER 34.A N SER 31.A O no hydrogen 2.721 N/A SER 34.A OG GLU 82.A O no hydrogen 2.796 N/A ASN 35.A N ALA 32.A O no hydrogen 3.302 N/A ASN 35.A ND2 GLU 80.A O no hydrogen 2.646 N/A ILE 36.A N SER 31.A O no hydrogen 3.462 N/A ARG 40.A NH1 PRO 37.A O no hydrogen 2.876 N/A SER 42.A N PHE 39.A O no hydrogen 3.332 N/A SER 42.A OG PHE 39.A O no hydrogen 3.026 N/A SER 42.A OG SER 45.A OG no hydrogen 2.979 N/A SER 45.A OG SER 42.A O no hydrogen 2.798 N/A SER 45.A OG SER 42.A OG no hydrogen 2.979 N/A TRP 47.A NE1 PRO 37.A O no hydrogen 2.929 N/A SER 48.A N SER 45.A O no hydrogen 3.264 N/A SER 48.A OG SER 42.A O no hydrogen 2.904 N/A SER 48.A OG SER 43.A O no hydrogen 2.645 N/A SER 48.A OG SER 45.A O no hydrogen 3.302 N/A LYS 49.A N ILE 46.A O no hydrogen 3.014 N/A LYS 49.A NZ ASP 74.A OD2 no hydrogen 2.611 N/A TYR 50.A N TRP 47.A O no hydrogen 3.282 N/A TYR 50.A OH ASP 74.A OD2 no hydrogen 2.741 N/A ARG 53.A N ASP 51.A OD2 no hydrogen 3.081 N/A ARG 53.A NE ASP 51.A OD1 no hydrogen 3.368 N/A ARG 53.A NE ASP 51.A OD2 no hydrogen 3.058 N/A ARG 53.A NH2 ASP 51.A OD1 no hydrogen 2.959 N/A ILE 54.A N ASP 51.A O no hydrogen 2.920 N/A TYR 55.A N ASP 51.A O no hydrogen 3.038 N/A GLY 56.A N PRO 52.A O no hydrogen 2.807 N/A THR 57.A N ILE 54.A O no hydrogen 3.383 N/A THR 57.A OG1 ARG 53.A O no hydrogen 3.009 N/A ILE 58.A N PHE 172.A O no hydrogen 3.074 N/A GLY 60.A N THR 57.A OG1 no hydrogen 2.847 N/A PHE 61.A N THR 57.A O no hydrogen 2.899 N/A TRP 62.A N ILE 58.A O no hydrogen 3.208 N/A LYS 63.A N TRP 59.A O no hydrogen 3.117 N/A TYR 64.A N GLY 60.A O no hydrogen 2.860 N/A GLU 66.A N GLU 66.A OE2 no hydrogen 2.931 N/A LYS 67.A N TYR 64.A O no hydrogen 3.126 N/A LYS 67.A NZ GLU 66.A OE1 no hydrogen 3.559 N/A LYS 67.A NZ GLU 70.A OE1 no hydrogen 2.906 N/A TRP 69.A NE1 PHE 165.A O no hydrogen 2.837 N/A GLU 70.A N GLU 66.A O no hydrogen 2.941 N/A VAL 71.A N LYS 67.A O no hydrogen 2.818 N/A ILE 72.A N ILE 68.A O no hydrogen 2.991 N/A ARG 73.A N TRP 69.A O no hydrogen 2.726 N/A ARG 73.A NE ASP 74.A OD1 no hydrogen 2.991 N/A ARG 73.A NH2 ASP 74.A OD1 no hydrogen 2.942 N/A ASP 74.A N GLU 70.A O no hydrogen 2.786 N/A ILE 75.A N VAL 71.A O no hydrogen 2.988 N/A SER 76.A N ILE 72.A O no hydrogen 3.007 N/A SER 76.A OG ILE 72.A O no hydrogen 2.730 N/A SER 77.A N ARG 73.A O no hydrogen 2.913 N/A SER 77.A OG ARG 73.A O no hydrogen 2.780 N/A ASP 78.A N ASP 74.A O no hydrogen 2.884 N/A ASN 84.A N HIS 87.A ND1 no hydrogen 3.034 N/A ASN 84.A ND2 THR 30.A O no hydrogen 3.194 N/A GLY 86.A N ASN 84.A OD1 no hydrogen 2.885 N/A HIS 87.A N ASN 84.A O no hydrogen 3.109 N/A VAL 88.A N ASN 84.A O no hydrogen 3.341 N/A ALA 89.A N ASN 85.A O no hydrogen 3.021 N/A LEU 90.A N GLY 86.A O no hydrogen 2.778 N/A SER 91.A N HIS 87.A O no hydrogen 2.797 N/A SER 91.A OG SER 114.A O no hydrogen 3.061 N/A THR 92.A N VAL 88.A O no hydrogen 2.879 N/A THR 92.A OG1 VAL 88.A O no hydrogen 2.815 N/A LEU 93.A N ALA 89.A O no hydrogen 3.082 N/A GLU 94.A N LEU 90.A O no hydrogen 3.279 N/A SER 95.A N SER 91.A O no hydrogen 3.089 N/A LEU 96.A N THR 92.A O no hydrogen 2.871 N/A GLY 97.A N GLU 94.A O no hydrogen 2.955 N/A TYR 98.A N LEU 93.A O no hydrogen 3.018 N/A LEU 99.A N LEU 93.A O no hydrogen 2.858 N/A LYS 100.A N VAL 22.A O no hydrogen 2.816 N/A LYS 100.A NZ GLY 97.A O no hydrogen 3.387 N/A SER 101.A OG GLU 187.A OE2 no hydrogen 2.702 N/A VAL 102.A N LYS 118.A O no hydrogen 3.044 N/A VAL 103.A N ALA 24.A O no hydrogen 2.732 N/A THR 104.A N ILE 120.A O no hydrogen 2.933 N/A THR 104.A OG1 THR 26.A O no hydrogen 3.563 N/A THR 104.A OG1 THR 26.A OG1 no hydrogen 2.762 N/A GLN 105.A N THR 26.A O no hydrogen 2.975 N/A GLN 105.A NE2 THR 26.A O no hydrogen 3.251 N/A GLN 105.A NE2 THR 199.A OG1 no hydrogen 2.943 N/A ASN 106.A N THR 104.A OG1 no hydrogen 2.868 N/A ASN 106.A ND2 GLY 27.A O no hydrogen 2.925 N/A LEU 110.A N ASP 108.A OD2 no hydrogen 2.999 N/A HIS 111.A NE2 THR 26.A OG1 no hydrogen 2.518 N/A GLU 112.A N GLU 112.A OE2 no hydrogen 2.645 N/A ALA 113.A N GLY 109.A O no hydrogen 3.076 N/A SER 114.A N LEU 110.A O no hydrogen 2.932 N/A SER 114.A OG HIS 87.A O no hydrogen 3.192 N/A SER 114.A OG HIS 111.A O no hydrogen 2.903 N/A GLY 115.A N GLU 112.A O no hydrogen 2.800 N/A ASN 116.A N HIS 111.A O no hydrogen 3.208 N/A ASN 116.A ND2 LEU 90.A O no hydrogen 3.573 N/A ASN 116.A ND2 GLU 94.A OE2 no hydrogen 3.227 N/A THR 117.A N GLU 94.A OE2 no hydrogen 3.037 N/A LYS 118.A NZ GLU 183.A OE1 no hydrogen 3.269 N/A LYS 118.A NZ GLU 183.A OE2 no hydrogen 3.241 N/A LYS 118.A NZ GLU 187.A OE1 no hydrogen 3.119 N/A ILE 120.A N VAL 102.A O no hydrogen 2.819 N/A LEU 122.A N THR 104.A O no hydrogen 3.163 N/A HIS 123.A NE2 THR 205.A OG1 no hydrogen 2.831 N/A GLY 124.A N SER 121.A O no hydrogen 2.882 N/A ASN 125.A N ASN 168.A O no hydrogen 3.014 N/A VAL 126.A N VAL 107.A O no hydrogen 2.917 N/A PHE 127.A N ASN 125.A OD1 no hydrogen 2.871 N/A GLU 128.A N ASN 125.A O no hydrogen 3.441 N/A ALA 129.A N VAL 138.A O no hydrogen 3.112 N/A VAL 130.A N LYS 166.A O no hydrogen 3.005 N/A CYS 131.A N LYS 136.A O no hydrogen 2.875 N/A CYS 131.A SG ILE 164.A O no hydrogen 3.871 N/A CYS 132.A N ILE 164.A O no hydrogen 2.908 N/A CYS 132.A SG ILE 164.A O no hydrogen 3.369 N/A ASN 135.A N CYS 131.A O no hydrogen 2.799 N/A VAL 138.A N ALA 129.A O no hydrogen 3.020 N/A LYS 139.A NZ PHE 127.A O no hydrogen 3.520 N/A LEU 140.A N PHE 127.A O no hydrogen 2.776 N/A MET 144.A N ASN 141.A OD1 no hydrogen 2.814 N/A LEU 145.A N LYS 142.A O no hydrogen 3.146 N/A GLN 146.A N ILE 143.A O no hydrogen 3.289 N/A GLN 146.A NE2 SER 76.A O no hydrogen 3.207 N/A GLN 146.A NE2 LYS 142.A O no hydrogen 3.129 N/A LYS 147.A N SER 77.A OG no hydrogen 2.803 N/A SER 149.A N GLN 146.A O no hydrogen 2.954 N/A SER 149.A OG MET 144.A O no hydrogen 2.592 N/A SER 149.A OG GLN 146.A O no hydrogen 3.166 N/A MET 152.A N SER 149.A OG no hydrogen 2.958 N/A HIS 153.A N HIS 150.A O no hydrogen 2.941 N/A CYS 159.A N GLY 163.A O no hydrogen 2.957 N/A GLY 162.A N CYS 159.A O no hydrogen 2.718 N/A PHE 165.A N PRO 157.A O no hydrogen 2.860 N/A LYS 166.A N VAL 130.A O no hydrogen 2.912 N/A LYS 166.A NZ GLU 174.A OE1 no hydrogen 3.248 N/A LYS 166.A NZ GLU 174.A OE2 no hydrogen 2.924 N/A ASN 168.A N GLU 128.A O no hydrogen 2.822 N/A ILE 170.A N HIS 123.A O no hydrogen 2.687 N/A LEU 171.A N GLU 174.A OE1 no hydrogen 2.998 N/A PHE 172.A N GLY 56.A O no hydrogen 2.950 N/A GLU 174.A N LEU 171.A O no hydrogen 2.889 N/A LEU 180.A N SER 177.A OG no hydrogen 3.164 N/A LEU 181.A N SER 177.A O no hydrogen 2.929 N/A LYS 182.A N SER 178.A O no hydrogen 3.113 N/A GLU 183.A N ASP 179.A O no hydrogen 3.065 N/A ALA 184.A N LEU 180.A O no hydrogen 2.974 N/A GLU 185.A N LEU 181.A O no hydrogen 2.709 N/A GLU 186.A N LYS 182.A O no hydrogen 2.887 N/A GLU 187.A N GLU 183.A O no hydrogen 2.987 N/A ILE 188.A N ALA 184.A O no hydrogen 3.022 N/A ALA 189.A N GLU 185.A O no hydrogen 2.878 N/A LYS 190.A N GLU 186.A O no hydrogen 3.227 N/A CYS 191.A N ILE 188.A O no hydrogen 3.113 N/A CYS 191.A SG ILE 188.A O no hydrogen 3.317 N/A ASP 192.A N HIS 21.A O no hydrogen 2.931 N/A LEU 194.A N LYS 219.A O no hydrogen 3.007 N/A LEU 195.A N VAL 23.A O no hydrogen 2.681 N/A VAL 196.A N VAL 221.A O no hydrogen 2.910 N/A ILE 197.A N LEU 25.A O no hydrogen 2.801 N/A GLY 198.A N ILE 223.A O no hydrogen 3.028 N/A SER 200.A OG THR 202.A OG1 no hydrogen 2.701 N/A SER 201.A N THR 199.A OG1 no hydrogen 3.246 N/A THR 202.A N SER 200.A OG no hydrogen 3.160 N/A THR 202.A OG1 SER 200.A OG no hydrogen 2.701 N/A THR 205.A OG1 HIS 123.A NE2 no hydrogen 2.831 N/A THR 207.A N VAL 203.A O no hydrogen 3.022 N/A THR 207.A OG1 SER 201.A O no hydrogen 2.563 N/A THR 207.A OG1 VAL 203.A O no hydrogen 3.003 N/A ASN 208.A N SER 204.A O no hydrogen 2.848 N/A LEU 209.A N THR 205.A O no hydrogen 3.228 N/A CYS 210.A N ALA 206.A O no hydrogen 2.995 N/A CYS 210.A SG ALA 206.A O no hydrogen 3.498 N/A HIS 211.A N THR 207.A O no hydrogen 2.945 N/A PHE 212.A N ASN 208.A O no hydrogen 2.948 N/A ALA 213.A N LEU 209.A O no hydrogen 2.994 N/A CYS 214.A N CYS 210.A O no hydrogen 3.051 N/A CYS 214.A SG CYS 210.A O no hydrogen 3.662 N/A CYS 214.A SG MET 234.A O no hydrogen 3.646 N/A LYS 215.A N HIS 211.A O no hydrogen 2.846 N/A LYS 216.A N PHE 212.A O no hydrogen 3.177 N/A LYS 217.A N CYS 214.A O no hydrogen 2.864 N/A LYS 218.A N ALA 213.A O no hydrogen 2.888 N/A LYS 218.A NZ ALA 189.A O no hydrogen 3.038 N/A LYS 218.A NZ CYS 191.A O no hydrogen 2.903 N/A ILE 220.A N ASP 236.A OD2 no hydrogen 2.834 N/A VAL 221.A N LEU 194.A O no hydrogen 2.916 N/A GLU 222.A N TYR 237.A O no hydrogen 3.132 N/A ILE 223.A N VAL 196.A O no hydrogen 3.046 N/A ASN 224.A N VAL 239.A O no hydrogen 3.180 N/A SER 226.A N ASN 224.A OD1 no hydrogen 2.743 N/A SER 226.A OG LYS 227.A O no hydrogen 2.644 N/A THR 228.A N THR 231.A OG1 no hydrogen 2.828 N/A THR 228.A OG1 GLU 222.A OE2 no hydrogen 2.776 N/A THR 228.A OG1 THR 231.A OG1 no hydrogen 3.373 N/A ILE 230.A N THR 228.A OG1 no hydrogen 3.009 N/A THR 231.A N THR 228.A O no hydrogen 3.132 N/A THR 231.A OG1 GLU 222.A OE1 no hydrogen 2.756 N/A THR 231.A OG1 GLU 222.A OE2 no hydrogen 3.408 N/A THR 231.A OG1 THR 228.A O no hydrogen 3.104 N/A THR 231.A OG1 THR 228.A OG1 no hydrogen 3.373 N/A ASN 232.A N THR 4.A OG1 no hydrogen 2.714 N/A LYS 233.A N ILE 230.A O no hydrogen 3.014 N/A LYS 233.A NZ TYR 229.A O no hydrogen 3.052 N/A MET 234.A N ILE 230.A O no hydrogen 2.526 N/A SER 235.A N ILE 230.A O no hydrogen 3.074 N/A SER 235.A OG THR 4.A OG1 no hydrogen 3.157 N/A SER 235.A OG GLU 222.A OE1 no hydrogen 2.683 N/A SER 235.A OG ILE 230.A O no hydrogen 3.311 N/A ASP 236.A N ILE 220.A O no hydrogen 2.898 N/A TYR 237.A N ILE 220.A O no hydrogen 3.197 N/A HIS 238.A N GLN 5.A O no hydrogen 3.186 N/A HIS 238.A NE2 SER 226.A O no hydrogen 2.787 N/A VAL 239.A N GLU 222.A O no hydrogen 2.848 N/A CYS 240.A SG ASN 224.A O no hydrogen 3.981 N/A CYS 240.A SG ILE 225.A O no hydrogen 3.540 N/A ALA 241.A N ASN 224.A O no hydrogen 3.090 N/A LYS 242.A N GLU 245.A OE2 no hydrogen 2.959 N/A SER 244.A N GLU 33.A OE1 no hydrogen 3.348 N/A SER 244.A OG GLU 33.A OE2 no hydrogen 2.478 N/A GLU 245.A N LYS 242.A O no hydrogen 2.775 N/A LEU 246.A N PHE 243.A O no hydrogen 3.135 N/A THR 247.A N SER 244.A O no hydrogen 3.346 N/A THR 247.A OG1 SER 244.A O no hydrogen 2.933 N/A LYS 248.A N GLU 245.A O no hydrogen 3.178 N/A ALA 250.A N LEU 246.A O no hydrogen 3.036 N/A ASN 251.A N THR 247.A O no hydrogen 2.677 N/A ILE 252.A N LYS 248.A O no hydrogen 3.014 N/A LEU 253.A N VAL 249.A O no hydrogen 3.083 N/A LYS 254.A N ALA 250.A O no hydrogen 2.878 N/A GLY 255.A N ASN 251.A O no hydrogen 2.900 N/A SER 256.A N ILE 252.A O no hydrogen 2.946 N/A SER 257.A N LEU 253.A O no hydrogen 3.076 N/A GLU 258.A N LYS 254.A O no hydrogen 3.157 N/A GLU 258.A N GLY 255.A O no hydrogen 3.032 N/A LYS 259.A N SER 256.A O no hydrogen 3.379 N/A