Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1n3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASP 1.A OD2 no hydrogen 2.916 N/A LEU 5.A N ASP 1.A O no hydrogen 3.218 N/A ALA 6.A N PRO 2.A O no hydrogen 2.940 N/A ARG 7.A N ASP 3.A O no hydrogen 3.021 N/A ARG 7.A NH1 GLU 4.A OE2 no hydrogen 3.045 N/A ARG 8.A N GLU 4.A O no hydrogen 2.936 N/A ALA 9.A N LEU 5.A O no hydrogen 3.044 N/A ALA 10.A N ALA 6.A O no hydrogen 2.838 N/A GLN 11.A N ARG 7.A O no hydrogen 2.816 N/A GLN 11.A NE2 ASP 15.A OD1 no hydrogen 2.780 N/A GLN 11.A NE2 ASP 15.A OD2 no hydrogen 3.263 N/A VAL 12.A N ARG 8.A O no hydrogen 3.149 N/A ILE 13.A N ALA 9.A O no hydrogen 2.965 N/A ALA 14.A N ALA 10.A O no hydrogen 2.955 N/A ASP 15.A N GLN 11.A O no hydrogen 2.918 N/A ARG 16.A N VAL 12.A O no hydrogen 2.899 N/A ARG 16.A NE GLU 50.A OE2 no hydrogen 2.567 N/A ARG 16.A NH2 GLU 50.A OE1 no hydrogen 3.163 N/A THR 17.A N ILE 13.A O no hydrogen 3.045 N/A THR 17.A OG1 ILE 13.A O no hydrogen 2.633 N/A THR 17.A OG1 ILE 19.A O no hydrogen 3.502 N/A GLY 18.A N ALA 14.A O no hydrogen 2.989 N/A ILE 19.A N THR 17.A OG1 no hydrogen 3.193 N/A HIS 22.A N ALA 104.A O no hydrogen 2.884 N/A HIS 22.A NE2 SER 68.A OG no hydrogen 2.757 N/A ASP 23.A N ARG 75.A O no hydrogen 2.892 N/A ALA 25.A N ILE 108.A O no hydrogen 3.065 N/A VAL 26.A N LEU 77.A O no hydrogen 2.812 N/A VAL 27.A N VAL 110.A O no hydrogen 2.877 N/A LEU 28.A N LEU 79.A O no hydrogen 2.855 N/A GLY 29.A N THR 112.A OG1 no hydrogen 3.021 N/A SER 30.A OG HIS 62.A NE2 no hydrogen 2.903 N/A TRP 32.A N GLY 29.A O no hydrogen 3.022 N/A TRP 32.A NE1 ASN 113.A O no hydrogen 2.954 N/A ALA 35.A N TRP 32.A O no hydrogen 2.971 N/A VAL 36.A N LEU 33.A O no hydrogen 3.272 N/A LEU 39.A N VAL 36.A O no hydrogen 3.221 N/A GLY 40.A N ALA 37.A O no hydrogen 3.170 N/A THR 43.A N SER 68.A O no hydrogen 2.919 N/A THR 43.A OG1 SER 68.A O no hydrogen 3.424 N/A LEU 46.A N LEU 66.A O no hydrogen 2.878 N/A GLN 48.A N GLY 64.A O no hydrogen 2.931 N/A GLN 48.A NE2 GLU 65.A O no hydrogen 3.050 N/A GLN 48.A NE2 GLY 81.A O no hydrogen 3.152 N/A GLU 50.A N PRO 47.A O no hydrogen 2.929 N/A LEU 51.A N GLN 48.A O no hydrogen 2.932 N/A PHE 54.A N LEU 51.A O no hydrogen 3.095 N/A HIS 62.A N ALA 59.A O no hydrogen 3.242 N/A HIS 62.A NE2 SER 30.A OG no hydrogen 2.903 N/A GLY 64.A N ALA 80.A O no hydrogen 2.689 N/A GLU 65.A N ALA 80.A O no hydrogen 3.120 N/A LEU 66.A N LEU 46.A O no hydrogen 2.766 N/A LEU 67.A N VAL 78.A O no hydrogen 2.917 N/A SER 68.A N THR 44.A O no hydrogen 2.966 N/A SER 68.A OG HIS 22.A NE2 no hydrogen 2.757 N/A VAL 69.A N VAL 76.A O no hydrogen 2.781 N/A ILE 71.A N HIS 74.A O no hydrogen 2.922 N/A HIS 74.A N ILE 71.A O no hydrogen 2.931 N/A HIS 74.A NE2 PHE 262.A OXT no hydrogen 2.669 N/A ARG 75.A N ASP 23.A OD2 no hydrogen 2.941 N/A VAL 76.A N VAL 69.A O no hydrogen 2.727 N/A LEU 77.A N VAL 24.A O no hydrogen 2.843 N/A VAL 78.A N LEU 67.A O no hydrogen 2.711 N/A LEU 79.A N VAL 26.A O no hydrogen 2.678 N/A ALA 80.A N GLU 65.A O no hydrogen 2.903 N/A GLY 81.A N LEU 28.A O no hydrogen 3.132 N/A ARG 82.A N HIS 62.A ND1 no hydrogen 2.975 N/A ARG 82.A NH1 THR 112.A O no hydrogen 2.890 N/A ARG 82.A NH2 THR 112.A O no hydrogen 2.890 N/A HIS 84.A N GLU 87.A OE1 no hydrogen 2.926 N/A HIS 84.A ND1 GLU 87.A OE2 no hydrogen 2.870 N/A GLU 87.A N HIS 84.A O no hydrogen 2.999 N/A GLY 88.A N ALA 85.A O no hydrogen 2.888 N/A ARG 92.A N ASP 90.A OD2 no hydrogen 2.952 N/A TYR 93.A N ASP 90.A O no hydrogen 2.938 N/A VAL 94.A N ASP 90.A O no hydrogen 3.449 N/A VAL 95.A N LEU 91.A O no hydrogen 2.982 N/A HIS 96.A N TYR 93.A O no hydrogen 3.376 N/A HIS 96.A NE2 PRO 52.A O no hydrogen 2.820 N/A ARG 99.A N VAL 95.A O no hydrogen 3.086 N/A ALA 100.A N HIS 96.A O no hydrogen 2.681 N/A ALA 101.A N PRO 97.A O no hydrogen 2.905 N/A ARG 102.A N VAL 98.A O no hydrogen 2.934 N/A ARG 102.A NE ALA 213.A O no hydrogen 3.047 N/A ARG 102.A NH1 ARG 102.A O no hydrogen 2.846 N/A ALA 103.A N ARG 99.A O no hydrogen 2.929 N/A ALA 104.A N ALA 100.A O no hydrogen 2.938 N/A ALA 104.A N ALA 101.A O no hydrogen 3.070 N/A GLY 105.A N ARG 102.A O no hydrogen 2.904 N/A ALA 106.A N ALA 101.A O no hydrogen 3.040 N/A GLN 107.A N ASP 23.A O no hydrogen 3.334 N/A MET 109.A N GLU 216.A O no hydrogen 2.817 N/A VAL 110.A N ALA 25.A O no hydrogen 2.785 N/A LEU 111.A N LEU 218.A O no hydrogen 2.828 N/A THR 112.A N VAL 27.A O no hydrogen 3.038 N/A THR 112.A OG1 VAL 27.A O no hydrogen 2.584 N/A ASN 113.A N VAL 220.A O no hydrogen 3.060 N/A ASN 113.A ND2 ALA 114.A O no hydrogen 3.201 N/A ASN 113.A ND2 SER 221.A OG no hydrogen 2.651 N/A ALA 115.A N LEU 222.A O no hydrogen 3.023 N/A GLY 116.A N VAL 199.A O no hydrogen 2.872 N/A GLY 117.A N ASN 225.A O no hydrogen 2.745 N/A LEU 118.A N ASP 197.A O no hydrogen 2.818 N/A ARG 119.A NE ASP 121.A OD1 no hydrogen 3.429 N/A ARG 119.A NE ASP 121.A OD2 no hydrogen 2.530 N/A ARG 119.A NH1 GLU 171.A O no hydrogen 2.940 N/A ARG 119.A NH2 ASP 121.A OD1 no hydrogen 3.253 N/A ARG 119.A NH2 GLU 171.A O no hydrogen 3.009 N/A LEU 122.A N ARG 119.A O no hydrogen 2.840 N/A GLN 123.A N GLN 126.A OE1 no hydrogen 3.039 N/A GLY 125.A N VAL 223.A O no hydrogen 2.607 N/A GLN 126.A N GLN 123.A O no hydrogen 3.110 N/A VAL 128.A N SER 221.A O no hydrogen 2.630 N/A LEU 129.A N ALA 170.A O no hydrogen 2.910 N/A ILE 130.A N GLY 219.A O no hydrogen 2.809 N/A SER 131.A N GLY 172.A O no hydrogen 2.980 N/A HIS 133.A N ASP 132.A OD1 no hydrogen 2.763 N/A HIS 133.A ND1 TYR 154.A OH no hydrogen 2.745 N/A LEU 134.A N TYR 174.A O no hydrogen 2.783 N/A ASN 135.A ND2 ARG 139.A O no hydrogen 3.152 N/A LEU 136.A N GLY 176.A O no hydrogen 3.051 N/A THR 137.A N ASN 135.A OD1 no hydrogen 3.088 N/A THR 137.A OG1 ASN 135.A OD1 no hydrogen 2.726 N/A THR 137.A OG1 HIS 205.A NE2 no hydrogen 3.067 N/A ARG 139.A N THR 137.A OG1 no hydrogen 3.156 N/A LEU 142.A N SER 140.A OG no hydrogen 3.230 N/A VAL 143.A N GLU 146.A OE1 no hydrogen 2.802 N/A THR 151.A N ASP 149.A OD2 no hydrogen 3.064 N/A THR 151.A OG1 ASP 149.A OD1 no hydrogen 3.125 N/A TYR 154.A OH HIS 133.A ND1 no hydrogen 2.745 N/A TYR 154.A OH THR 207.A OG1 no hydrogen 2.902 N/A SER 155.A OG GLU 216.A OE1 no hydrogen 2.925 N/A ARG 157.A NH2 GLU 216.A OE1 no hydrogen 3.481 N/A ARG 157.A NH2 GLU 216.A OE2 no hydrogen 2.664 N/A LEU 158.A N SER 155.A OG no hydrogen 3.407 N/A ARG 159.A N SER 155.A O no hydrogen 3.151 N/A ARG 159.A NE GLU 171.A OE2 no hydrogen 2.692 N/A ARG 159.A NH1 TYR 154.A O no hydrogen 2.921 N/A ARG 159.A NH2 GLU 171.A OE1 no hydrogen 3.294 N/A ARG 159.A NH2 GLU 171.A OE2 no hydrogen 3.032 N/A GLU 160.A N PRO 156.A O no hydrogen 2.935 N/A LEU 161.A N ARG 157.A O no hydrogen 3.085 N/A ALA 162.A N LEU 158.A O no hydrogen 2.936 N/A ARG 163.A N ARG 159.A O no hydrogen 3.004 N/A ARG 163.A NH1 GLU 171.A OE2 no hydrogen 2.832 N/A GLN 164.A N GLU 160.A O no hydrogen 2.943 N/A GLN 164.A N LEU 161.A O no hydrogen 3.011 N/A GLN 164.A NE2 GLU 160.A OE2 no hydrogen 3.019 N/A SER 165.A N LEU 161.A O no hydrogen 3.203 N/A SER 165.A N ALA 162.A O no hydrogen 3.009 N/A SER 165.A OG ASP 257.A OD2 no hydrogen 2.694 N/A ASP 166.A N ALA 162.A O no hydrogen 2.977 N/A GLN 168.A N ASP 166.A OD1 no hydrogen 3.277 N/A GLN 168.A NE2 ASP 166.A OD1 no hydrogen 3.490 N/A LEU 169.A N ASP 166.A O no hydrogen 3.078 N/A GLY 172.A N LEU 129.A O no hydrogen 2.875 N/A VAL 173.A N ASP 197.A OD2 no hydrogen 2.765 N/A TYR 174.A N ASP 132.A O no hydrogen 3.000 N/A TYR 174.A OH SER 202.A O no hydrogen 3.273 N/A ALA 175.A N LEU 198.A O no hydrogen 2.761 N/A GLY 176.A N LEU 134.A O no hydrogen 2.851 N/A LEU 177.A N GLY 200.A O no hydrogen 2.896 N/A THR 184.A N GLU 187.A OE1 no hydrogen 2.991 N/A GLU 187.A N THR 184.A OG1 no hydrogen 3.050 N/A ILE 188.A N THR 184.A O no hydrogen 3.022 N/A ARG 189.A N PRO 185.A O no hydrogen 2.980 N/A MET 190.A N ALA 186.A O no hydrogen 2.995 N/A LEU 191.A N GLU 187.A O no hydrogen 2.834 N/A GLN 192.A N ILE 188.A O no hydrogen 3.010 N/A THR 193.A N ARG 189.A O no hydrogen 3.086 N/A THR 193.A OG1 ARG 189.A O no hydrogen 3.264 N/A LEU 194.A N MET 190.A O no hydrogen 2.931 N/A GLY 195.A N GLN 192.A O no hydrogen 3.071 N/A ALA 196.A N LEU 191.A O no hydrogen 2.933 N/A ASP 197.A N VAL 173.A O no hydrogen 2.813 N/A LEU 198.A N VAL 173.A O no hydrogen 2.959 N/A VAL 199.A N GLY 116.A O no hydrogen 3.030 N/A GLY 200.A N ALA 175.A O no hydrogen 2.930 N/A SER 202.A N TYR 174.A OH no hydrogen 3.104 N/A SER 202.A OG THR 203.A OG1 no hydrogen 3.038 N/A THR 203.A N GLU 206.A OE1 no hydrogen 3.028 N/A THR 203.A OG1 ASN 113.A OD1 no hydrogen 2.935 N/A THR 203.A OG1 SER 202.A OG no hydrogen 3.038 N/A VAL 204.A N SER 202.A O no hydrogen 2.716 N/A GLU 206.A N GLU 206.A OE2 no hydrogen 2.753 N/A THR 207.A N THR 203.A O no hydrogen 2.849 N/A THR 207.A OG1 TYR 154.A OH no hydrogen 2.902 N/A THR 207.A OG1 THR 203.A O no hydrogen 3.128 N/A ILE 208.A N VAL 204.A O no hydrogen 3.070 N/A ALA 209.A N HIS 205.A O no hydrogen 2.832 N/A ALA 210.A N GLU 206.A O no hydrogen 2.814 N/A ARG 211.A N THR 207.A O no hydrogen 2.990 N/A ARG 211.A NE ALA 215.A O no hydrogen 3.046 N/A ARG 211.A NH2 ALA 215.A O no hydrogen 2.979 N/A ALA 212.A N ILE 208.A O no hydrogen 2.914 N/A ALA 213.A N ALA 209.A O no hydrogen 2.926 N/A ALA 213.A N ALA 210.A O no hydrogen 3.101 N/A GLY 214.A N ARG 211.A O no hydrogen 2.988 N/A ALA 215.A N ALA 210.A O no hydrogen 2.899 N/A GLU 216.A N GLN 107.A O no hydrogen 2.870 N/A LEU 218.A N MET 109.A O no hydrogen 2.857 N/A VAL 220.A N LEU 111.A O no hydrogen 2.967 N/A SER 221.A N VAL 128.A O no hydrogen 2.727 N/A LEU 222.A N ASN 113.A O no hydrogen 2.896 N/A VAL 223.A N GLN 126.A O no hydrogen 3.036 N/A THR 224.A N ALA 115.A O no hydrogen 3.074 N/A THR 224.A OG1 ASN 225.A OD1 no hydrogen 2.845 N/A ASN 225.A ND2 LEU 226.A O no hydrogen 3.239 N/A ALA 227.A N GLY 117.A O no hydrogen 2.716 N/A ILE 230.A N ALA 227.A O no hydrogen 3.102 N/A GLU 233.A N THR 231.A OG1 no hydrogen 3.082 N/A HIS 237.A NE2 ALA 60.A O no hydrogen 2.728 N/A GLU 239.A N SER 236.A OG no hydrogen 3.191 N/A VAL 240.A N SER 236.A O no hydrogen 3.052 N/A LEU 241.A N HIS 237.A O no hydrogen 2.883 N/A ALA 242.A N ALA 238.A O no hydrogen 2.856 N/A ALA 243.A N GLU 239.A O no hydrogen 2.817 N/A GLY 244.A N VAL 240.A O no hydrogen 3.024 N/A ALA 245.A N LEU 241.A O no hydrogen 2.957 N/A ALA 246.A N ALA 242.A O no hydrogen 3.232 N/A ALA 246.A N ALA 243.A O no hydrogen 3.263 N/A SER 247.A N GLY 244.A O no hydrogen 3.069 N/A SER 247.A OG GLY 125.A O no hydrogen 2.636 N/A ALA 248.A N ALA 245.A O no hydrogen 3.156 N/A ARG 250.A NH2 ASP 166.A OD2 no hydrogen 2.934 N/A MET 251.A N SER 247.A O no hydrogen 2.934 N/A GLY 252.A N ALA 248.A O no hydrogen 2.854 N/A ALA 253.A N THR 249.A O no hydrogen 3.102 N/A LEU 254.A N ARG 250.A O no hydrogen 2.806 N/A LEU 255.A N MET 251.A O no hydrogen 3.054 N/A ALA 256.A N GLY 252.A O no hydrogen 3.117 N/A ASP 257.A N ALA 253.A O no hydrogen 3.005 N/A VAL 258.A N LEU 254.A O no hydrogen 2.922 N/A ILE 259.A N LEU 255.A O no hydrogen 3.043 N/A ALA 260.A N ALA 256.A O no hydrogen 3.389 N/A ARG 261.A N VAL 258.A O no hydrogen 2.861 N/A ARG 261.A NE ASP 257.A OD2 no hydrogen 2.999 N/A ARG 261.A NH2 ASP 257.A OD2 no hydrogen 3.342 N/A PHE 262.A N ILE 259.A O no hydrogen 3.125 N/A