Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE.B GLY 5.A O no hydrogen 2.669 N/A THR 4.A N ALA 34.A O no hydrogen 2.736 N/A GLY 5.A N ALA 34.A O no hydrogen 3.207 N/A LEU 7.A N GLN 35.A OE1 no hydrogen 3.043 N/A MET 8.A N GLN 35.A O no hydrogen 2.870 N/A GLU 9.A N MET 6.A O no hydrogen 3.176 N/A LYS 11.A N MET 8.A O no hydrogen 3.037 N/A LYS 11.A NZ ASP 238.A OD1 no hydrogen 3.060 N/A LYS 12.A N ASP 90.A OD2 no hydrogen 2.879 N/A GLY 13.A N GLU 38.A O no hydrogen 2.959 N/A VAL 14.A N PHE 91.A O no hydrogen 3.181 N/A ILE 15.A N ALA 40.A O no hydrogen 2.991 N/A ILE 16.A N VAL 93.A O no hydrogen 2.899 N/A LYS 22.A N ASN 20.A OD1 no hydrogen 2.906 N/A LYS 22.A NZ ASP 21.A OD1 no hydrogen 2.871 N/A TRP 26.A N SER 23.A OG no hydrogen 3.163 N/A GLY 27.A N SER 23.A O no hydrogen 3.045 N/A ILE 28.A N LEU 24.A O no hydrogen 2.941 N/A ALA 29.A N ALA 25.A O no hydrogen 2.917 N/A LYS 30.A N TRP 26.A O no hydrogen 2.843 N/A ALA 31.A N GLY 27.A O no hydrogen 3.030 N/A VAL 32.A N ILE 28.A O no hydrogen 2.972 N/A CYS 33.A N ALA 29.A O no hydrogen 2.905 N/A CYS 33.A SG ALA 29.A O no hydrogen 3.220 N/A ALA 34.A N LYS 30.A O no hydrogen 2.974 N/A GLN 35.A N VAL 32.A O no hydrogen 3.137 N/A GLY 36.A N CYS 33.A O no hydrogen 3.037 N/A ALA 37.A N VAL 32.A O no hydrogen 3.067 N/A GLU 38.A N LYS 11.A O no hydrogen 2.914 N/A ALA 40.A N GLY 13.A O no hydrogen 2.928 N/A LEU 41.A N LEU 63.A O no hydrogen 3.152 N/A THR 42.A N ILE 15.A O no hydrogen 3.301 N/A TYR 43.A N VAL 65.A O no hydrogen 3.028 N/A PHE 48.A N SER 45.A O no hydrogen 2.765 N/A LYS 49.A N GLU 46.A O no hydrogen 3.418 N/A LYS 49.A NZ ASP 53.A OD1 no hydrogen 3.090 N/A ARG 51.A N PHE 48.A O no hydrogen 3.141 N/A VAL 52.A N PHE 48.A O no hydrogen 3.370 N/A VAL 52.A N LYS 49.A O no hydrogen 3.219 N/A ASP 53.A N LYS 49.A O no hydrogen 3.016 N/A ALA 56.A N VAL 52.A O no hydrogen 2.893 N/A GLU 57.A N ASP 53.A O no hydrogen 2.967 N/A SER 58.A N PRO 54.A O no hydrogen 3.109 N/A SER 58.A OG LEU 55.A O no hydrogen 2.980 N/A LEU 59.A N LEU 55.A O no hydrogen 3.146 N/A GLY 60.A N GLU 57.A O no hydrogen 3.186 N/A VAL 61.A N ALA 56.A O no hydrogen 2.850 N/A VAL 65.A N LEU 41.A O no hydrogen 3.025 N/A CYS 67.A N TYR 43.A O no hydrogen 2.826 N/A ASP 68.A N SER 74.A OG no hydrogen 2.958 N/A SER 70.A N ASP 68.A OD1 no hydrogen 2.988 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 2.837 N/A ASP 71.A N ASP 68.A O no hydrogen 2.967 N/A GLU 73.A N ASP 71.A OD1 no hydrogen 2.950 N/A SER 74.A N ASP 71.A OD1 no hydrogen 3.464 N/A VAL 75.A N ASP 71.A O no hydrogen 3.143 N/A ASP 76.A N ALA 72.A O no hydrogen 2.846 N/A ASN 77.A N GLU 73.A O no hydrogen 2.848 N/A MET 78.A N SER 74.A O no hydrogen 2.952 N/A PHE 79.A N VAL 75.A O no hydrogen 3.117 N/A LYS 80.A N ASP 76.A O no hydrogen 2.953 N/A VAL 81.A N ASN 77.A O no hydrogen 2.952 N/A LEU 82.A N MET 78.A O no hydrogen 3.044 N/A ALA 83.A N PHE 79.A O no hydrogen 2.912 N/A GLU 84.A N LYS 80.A O no hydrogen 2.998 N/A GLU 85.A N VAL 81.A O no hydrogen 2.888 N/A TRP 86.A N LEU 82.A O no hydrogen 2.828 N/A GLY 87.A N ALA 83.A O no hydrogen 2.898 N/A LEU 89.A N LEU 137.A O no hydrogen 2.973 N/A ASP 90.A N LYS 12.A O no hydrogen 2.735 N/A PHE 91.A N LYS 12.A O no hydrogen 3.245 N/A VAL 92.A N SER 143.A O no hydrogen 3.104 N/A VAL 93.A N VAL 14.A O no hydrogen 2.894 N/A HIS 94.A N LEU 145.A O no hydrogen 2.867 N/A HIS 94.A ND1 THR 146.A OG1 no hydrogen 2.929 N/A HIS 94.A NE2 SER 126.A OG no hydrogen 2.877 N/A ALA 95.A N ILE 16.A O no hydrogen 2.922 N/A PHE 98.A N SER 123.A OG no hydrogen 2.974 N/A SER 99.A OG ASN 115.A OD1 no hydrogen 3.436 N/A SER 99.A OG SER 119.A OG.A no hydrogen 2.714 N/A ASP 100.A N ASN 115.A OD1 no hydrogen 2.962 N/A ASN 102.A N ASP 100.A OD1 no hydrogen 2.814 N/A GLU 103.A N ASP 100.A O no hydrogen 3.189 N/A GLU 103.A N ASP 100.A OD1 no hydrogen 3.264 N/A LEU 104.A N LYS 101.A O no hydrogen 3.294 N/A LYS 105.A N ASN 102.A O no hydrogen 3.377 N/A GLY 106.A N GLU 103.A O no hydrogen 3.214 N/A ARG 107.A NE ASP 110.A OD2 no hydrogen 3.162 N/A ARG 107.A NH2 ASP 110.A OD1 no hydrogen 3.236 N/A ARG 107.A NH2 ASP 110.A OD2 no hydrogen 3.569 N/A ASP 110.A N ARG 107.A O no hydrogen 3.054 N/A THR 111.A N TYR 108.A O no hydrogen 2.987 N/A THR 111.A OG1 TYR 108.A O no hydrogen 2.638 N/A SER 112.A N GLU 103.A OE1 no hydrogen 2.989 N/A SER 112.A OG GLU 103.A OE1 no hydrogen 3.566 N/A SER 112.A OG GLU 103.A OE2 no hydrogen 2.754 N/A ASN 115.A N SER 112.A OG no hydrogen 3.252 N/A ASN 115.A ND2 GLU 103.A OE1 no hydrogen 2.868 N/A PHE 116.A N SER 112.A O no hydrogen 3.020 N/A LEU 117.A N LEU 113.A O no hydrogen 2.892 N/A THR 118.A N GLY 114.A O no hydrogen 2.977 N/A THR 118.A OG1 GLY 114.A O no hydrogen 2.984 N/A SER 119.A N ASN 115.A O no hydrogen 2.853 N/A SER 119.A OG.A PHE 98.A O no hydrogen 3.460 N/A SER 119.A OG.A SER 99.A OG no hydrogen 2.714 N/A SER 119.A OG.A ASN 115.A O no hydrogen 2.715 N/A SER 119.A OG.A ASN 115.A OD1 no hydrogen 3.056 N/A SER 119.A OG.B ASN 115.A O no hydrogen 2.891 N/A SER 119.A OG.B PHE 116.A O no hydrogen 2.931 N/A MET 120.A N PHE 116.A O no hydrogen 2.922 N/A HIS 121.A N LEU 117.A O no hydrogen 2.950 N/A ILE 122.A N THR 118.A O no hydrogen 3.089 N/A SER 123.A N SER 119.A O no hydrogen 2.831 N/A SER 123.A OG PHE 98.A O no hydrogen 3.057 N/A SER 123.A OG SER 119.A O no hydrogen 3.036 N/A CYS 124.A N MET 120.A O no hydrogen 3.031 N/A TYR 125.A N MET 120.A O no hydrogen 2.910 N/A SER 126.A N HIS 121.A O no hydrogen 2.951 N/A SER 126.A OG HIS 94.A NE2 no hydrogen 2.877 N/A SER 126.A OG ILE 122.A O no hydrogen 2.613 N/A PHE 127.A N CYS 124.A O no hydrogen 3.112 N/A TYR 129.A N TYR 125.A O no hydrogen 3.024 N/A TYR 129.A OH ASP 76.A OD1 no hydrogen 2.643 N/A TYR 129.A OH ASP 76.A OD2 no hydrogen 3.304 N/A ILE 130.A N SER 126.A O no hydrogen 2.964 N/A ALA 131.A N PHE 127.A O no hydrogen 2.905 N/A SER 132.A N THR 128.A O no hydrogen 2.970 N/A SER 132.A OG TYR 129.A O no hydrogen 2.716 N/A LYS 133.A N TYR 129.A O no hydrogen 3.023 N/A ALA 134.A N ILE 130.A O no hydrogen 2.853 N/A GLU 135.A N ALA 131.A O no hydrogen 3.018 N/A LEU 137.A N ALA 134.A O no hydrogen 2.899 N/A MET 138.A N GLU 135.A O no hydrogen 3.073 N/A GLY 141.A N MET 138.A O no hydrogen 2.956 N/A GLY 142.A N GLN 184.A O no hydrogen 3.192 N/A SER 143.A N ASP 90.A O no hydrogen 3.049 N/A SER 143.A OG LEU 235.A O no hydrogen 2.735 N/A ILE 144.A N ARG 186.A O no hydrogen 2.820 N/A LEU 145.A N VAL 92.A O no hydrogen 2.916 N/A THR 146.A N ASN 188.A O no hydrogen 2.988 N/A THR 146.A OG1 HIS 94.A ND1 no hydrogen 2.929 N/A THR 146.A OG1 HIS 94.A O no hydrogen 3.293 N/A LEU 147.A N THR 146.A OG1 no hydrogen 2.770 N/A SER 148.A N ILE 190.A O no hydrogen 2.779 N/A SER 148.A OG GLU 170.A OE2 no hydrogen 2.603 N/A ALA 152.A N TYR 149.A O no hydrogen 2.926 N/A GLU 153.A N TYR 150.A O no hydrogen 2.886 N/A LYS 154.A N TYR 150.A O no hydrogen 3.073 N/A HIS 158.A ND1 ASP 205.A OD2 no hydrogen 2.983 N/A ASN 160.A ND2 GLU 103.A O no hydrogen 3.083 N/A ASN 160.A ND2 GLY 106.A O no hydrogen 2.751 N/A MET 162.A N TYR 159.A O no hydrogen 2.917 N/A GLY 163.A N ASN 160.A O no hydrogen 2.909 N/A CYS 165.A N VAL 161.A O no hydrogen 2.860 N/A CYS 165.A SG SER 119.A OG.B no hydrogen 3.203 N/A CYS 165.A SG VAL 161.A O no hydrogen 3.427 N/A LYS 166.A N MET 162.A O no hydrogen 2.812 N/A LYS 166.A NZ LEU 147.A O no hydrogen 2.903 N/A ALA 167.A N GLY 163.A O no hydrogen 2.965 N/A ALA 168.A N VAL 164.A O no hydrogen 3.089 N/A LEU 169.A N CYS 165.A O no hydrogen 2.933 N/A GLU 170.A N LYS 166.A O no hydrogen 2.854 N/A ALA 171.A N ALA 167.A O no hydrogen 3.115 N/A SER 172.A N ALA 168.A O no hydrogen 2.827 N/A SER 172.A OG LEU 169.A O no hydrogen 2.612 N/A VAL 173.A N LEU 169.A O no hydrogen 2.989 N/A LYS 174.A N ALA 171.A O no hydrogen 3.057 N/A TYR 175.A N ALA 171.A O no hydrogen 3.239 N/A LEU 176.A N SER 172.A O no hydrogen 2.810 N/A ALA 177.A N VAL 173.A O no hydrogen 2.937 N/A VAL 178.A N LYS 174.A O no hydrogen 3.252 N/A ASP 179.A N TYR 175.A O no hydrogen 3.144 N/A LEU 180.A N LEU 176.A O no hydrogen 2.880 N/A GLY 181.A N ALA 177.A O no hydrogen 2.939 N/A GLN 183.A NE2 GLU 135.A O no hydrogen 3.088 N/A GLN 183.A NE2 MET 138.A O no hydrogen 3.451 N/A GLN 184.A N GLY 181.A O no hydrogen 2.797 N/A ILE 185.A N LEU 180.A O no hydrogen 3.268 N/A ARG 186.A N GLY 142.A O no hydrogen 2.911 N/A ARG 186.A NH1 LEU 235.A O no hydrogen 3.022 N/A ARG 186.A NH1 SER 237.A O no hydrogen 2.846 N/A VAL 187.A N THR 244.A OG1 no hydrogen 3.019 N/A ASN 188.A N ILE 144.A O no hydrogen 3.030 N/A ASN 188.A ND2 THR 243.A O no hydrogen 3.125 N/A ALA 189.A N GLU 246.A O no hydrogen 2.871 N/A ILE 190.A N THR 146.A O no hydrogen 2.990 N/A SER 191.A N VAL 248.A O no hydrogen 2.827 N/A ALA 192.A N SER 148.A O no hydrogen 3.167 N/A GLY 193.A N VAL 250.A O no hydrogen 2.933 N/A ILE 203.A N SER 201.A OG no hydrogen 3.234 N/A HIS 207.A N ILE 203.A O no hydrogen 3.217 N/A TYR 208.A N SER 204.A O no hydrogen 2.915 N/A ILE 209.A N ASP 205.A O no hydrogen 2.890 N/A LEU 210.A N PHE 206.A O no hydrogen 3.032 N/A THR 211.A N HIS 207.A O no hydrogen 3.010 N/A THR 211.A OG1.A HIS 207.A NE2 no hydrogen 3.272 N/A THR 211.A OG1.A HIS 207.A O no hydrogen 3.061 N/A TRP 212.A N TYR 208.A O no hydrogen 2.746 N/A ASN 213.A N ILE 209.A O no hydrogen 3.024 N/A ASN 213.A ND2 ILE 209.A O no hydrogen 2.941 N/A LYS 214.A N LEU 210.A O no hydrogen 2.968 N/A TYR 215.A N THR 211.A O no hydrogen 3.023 N/A ASN 216.A N TRP 212.A O no hydrogen 3.015 N/A ASN 216.A ND2 TRP 212.A O no hydrogen 3.014 N/A SER 217.A N ASN 213.A O no hydrogen 3.023 N/A SER 217.A OG ASN 213.A O no hydrogen 2.989 N/A SER 217.A OG ARG 221.A O no hydrogen 3.095 N/A LEU 219.A N CYS 252.A O no hydrogen 3.235 N/A ARG 220.A N SER 217.A O no hydrogen 2.886 N/A ARG 221.A NH1 ASN 222.A O no hydrogen 3.088 N/A ARG 221.A NH1 ASP 227.A OD2 no hydrogen 2.828 N/A ARG 221.A NH2 ASP 227.A OD1 no hydrogen 3.097 N/A ARG 221.A NH2 ASP 227.A OD2 no hydrogen 3.393 N/A ASN 222.A ND2 LEU 210.A O no hydrogen 2.890 N/A THR 223.A OG1 VAL 250.A O no hydrogen 3.271 N/A THR 224.A N ASP 227.A OD2 no hydrogen 2.982 N/A ASP 227.A N THR 224.A OG1 no hydrogen 3.095 N/A VAL 228.A N THR 224.A O no hydrogen 3.242 N/A GLY 229.A N LEU 225.A O no hydrogen 2.898 N/A GLY 230.A N ASP 226.A O no hydrogen 3.007 N/A ALA 231.A N ASP 227.A O no hydrogen 3.161 N/A ALA 232.A N VAL 228.A O no hydrogen 2.938 N/A LEU 233.A N GLY 229.A O no hydrogen 2.828 N/A TYR 234.A N GLY 230.A O no hydrogen 3.090 N/A TYR 234.A OH THR 243.A OG1 no hydrogen 2.722 N/A LEU 235.A N ALA 231.A O no hydrogen 3.054 N/A LEU 236.A N ALA 232.A O no hydrogen 2.826 N/A SER 237.A N LEU 233.A O no hydrogen 3.025 N/A SER 237.A OG LEU 233.A O no hydrogen 2.661 N/A LEU 239.A N SER 237.A OG no hydrogen 3.166 N/A GLY 240.A N SER 237.A O no hydrogen 3.182 N/A ARG 241.A N ASP 238.A O no hydrogen 3.403 N/A THR 243.A N GLY 240.A O no hydrogen 3.104 N/A THR 243.A OG1 TYR 234.A OH no hydrogen 2.722 N/A THR 244.A OG1 VAL 187.A O no hydrogen 3.534 N/A GLY 245.A N VAL 187.A O no hydrogen 2.664 N/A GLU 246.A N ASN 188.A OD1 no hydrogen 2.972 N/A VAL 248.A N ALA 189.A O no hydrogen 2.928 N/A HIS 249.A NE2 GLU 153.A OE2 no hydrogen 2.507 N/A VAL 250.A N SER 191.A O no hydrogen 2.843 N/A CYS 252.A SG ARG 221.A O no hydrogen 3.646 N/A GLY 253.A N ASP 251.A OD1 no hydrogen 2.916 N/A TYR 254.A N ASP 251.A O no hydrogen 3.125 N/A HIS 255.A N ASP 251.A OD2 no hydrogen 2.903 N/A HIS 255.A ND1 ASP 251.A OD1 no hydrogen 3.305 N/A HIS 255.A ND1 ASP 251.A OD2 no hydrogen 3.170 N/A VAL 256.A N GLY 253.A O no hydrogen 3.026 N/A VAL 257.A N TYR 254.A O no hydrogen 2.910 N/A SER 261.A N ASN 216.A OD1 no hydrogen 2.872 N/A