Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jf3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N ILE 20.A O no hydrogen 2.973 N/A SER 5.A N ASP 3.A OD2 no hydrogen 2.906 N/A SER 5.A OG ASP 3.A OD2 no hydrogen 2.708 N/A ALA 6.A N ASP 3.A O no hydrogen 3.321 N/A PHE 7.A N ALA 24.A O no hydrogen 2.775 N/A HIS 9.A N ILE 26.A O no hydrogen 3.049 N/A HIS 9.A ND1 THR 11.A OG1 no hydrogen 2.711 N/A THR 11.A N HIS 9.A ND1 no hydrogen 3.320 N/A THR 11.A OG1 HIS 9.A ND1 no hydrogen 2.711 N/A ALA 12.A N HIS 9.A O no hydrogen 2.857 N/A ILE 13.A N CYS 30.A O no hydrogen 2.883 N/A GLU 15.A N VAL 32.A O no hydrogen 3.022 N/A ALA 18.A N GLU 15.A O no hydrogen 3.449 N/A SER 19.A N VAL 36.A O no hydrogen 3.183 N/A ILE 20.A N MET 1.A O no hydrogen 3.272 N/A GLY 21.A N ILE 38.A O no hydrogen 2.667 N/A ASN 23.A N SER 5.A OG no hydrogen 3.259 N/A HIS 25.A N THR 42.A O no hydrogen 2.879 N/A ILE 26.A N PHE 7.A O no hydrogen 2.813 N/A GLY 27.A N LEU 44.A O no hydrogen 2.774 N/A CYS 30.A SG GLY 27.A O no hydrogen 3.282 N/A CYS 30.A SG PRO 28.A O no hydrogen 3.933 N/A CYS 30.A SG LEU 44.A O no hydrogen 3.920 N/A ILE 31.A N VAL 48.A O no hydrogen 2.797 N/A VAL 32.A N ILE 13.A O no hydrogen 3.001 N/A GLY 33.A N VAL 50.A O no hydrogen 2.804 N/A VAL 36.A N GLY 33.A O no hydrogen 3.295 N/A GLU 37.A N THR 54.A O no hydrogen 2.843 N/A ILE 38.A N SER 19.A O no hydrogen 2.968 N/A GLY 41.A N ALA 22.A O no hydrogen 3.150 N/A THR 42.A OG1 GLY 57.A O no hydrogen 2.655 N/A VAL 43.A N ASN 60.A O no hydrogen 2.727 N/A LEU 44.A N HIS 25.A O no hydrogen 2.733 N/A LYS 45.A N ILE 62.A O no hydrogen 2.965 N/A SER 46.A OG HIS 47.A ND1 no hydrogen 3.061 N/A HIS 47.A N PRO 28.A O no hydrogen 3.100 N/A HIS 47.A ND1 SER 46.A OG no hydrogen 3.061 N/A VAL 49.A N ALA 66.A O no hydrogen 3.092 N/A VAL 50.A N ILE 31.A O no hydrogen 2.785 N/A ASN 51.A N ILE 68.A O no hydrogen 3.138 N/A ASN 51.A ND2 GLU 70.A OE1 no hydrogen 2.767 N/A THR 54.A OG1 ASN 51.A O no hydrogen 2.707 N/A LYS 55.A N VAL 84.A O no hydrogen 2.788 N/A ILE 56.A N GLU 37.A O no hydrogen 2.806 N/A GLY 57.A N ILE 86.A O no hydrogen 2.933 N/A ARG 58.A N ASP 88.A OD1 no hydrogen 2.752 N/A ASP 59.A N GLU 40.A O no hydrogen 2.869 N/A ASN 60.A ND2 GLY 87.A O no hydrogen 3.062 N/A GLU 61.A N ASN 90.A O no hydrogen 2.939 N/A ILE 62.A N VAL 43.A O no hydrogen 2.832 N/A TYR 63.A N ILE 92.A O no hydrogen 2.803 N/A PHE 65.A N HIS 47.A O no hydrogen 2.986 N/A SER 67.A N VAL 96.A O no hydrogen 2.851 N/A ILE 68.A N VAL 49.A O no hydrogen 2.802 N/A GLY 69.A N ILE 98.A O no hydrogen 2.730 N/A VAL 71.A N GLU 70.A OE2 no hydrogen 2.948 N/A ASN 72.A ND2 ARG 100.A O no hydrogen 2.822 N/A ASP 74.A N ASN 72.A OD1 no hydrogen 3.235 N/A LYS 76.A N ASP 74.A OD1 no hydrogen 3.419 N/A LYS 76.A NZ ASP 74.A OD1 no hydrogen 3.087 N/A LYS 76.A NZ ASP 74.A OD2 no hydrogen 3.340 N/A TYR 77.A N ASP 74.A O no hydrogen 3.214 N/A TYR 77.A OH GLU 80.A O no hydrogen 2.634 N/A ALA 78.A N GLU 80.A OE1 no hydrogen 3.108 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.805 N/A THR 82.A N GLU 80.A O no hydrogen 2.789 N/A THR 82.A OG1 GLU 80.A O no hydrogen 3.545 N/A THR 82.A OG1 GLY 101.A O no hydrogen 2.865 N/A ARG 83.A N GLY 107.A O no hydrogen 2.863 N/A VAL 84.A N HIS 53.A O no hydrogen 2.959 N/A GLU 85.A N THR 109.A O no hydrogen 2.963 N/A ILE 86.A N LYS 55.A O no hydrogen 2.814 N/A GLY 87.A N VAL 111.A O no hydrogen 2.990 N/A GLY 87.A N GLY 112.A O no hydrogen 3.068 N/A ASP 88.A N SER 113.A OG no hydrogen 2.981 N/A ARG 89.A N ARG 58.A O no hydrogen 2.782 N/A ARG 89.A NE ASP 114.A OD1 no hydrogen 2.807 N/A ARG 89.A NE ASP 114.A OD2 no hydrogen 3.209 N/A ARG 89.A NH2 ASP 114.A OD2 no hydrogen 2.766 N/A ASN 90.A N ASN 60.A OD1 no hydrogen 2.779 N/A ASN 90.A ND2 ASN 60.A OD1 no hydrogen 3.301 N/A ASN 90.A ND2 GLY 112.A O no hydrogen 2.843 N/A ARG 91.A N ASN 115.A O no hydrogen 2.939 N/A ILE 92.A N GLU 61.A O no hydrogen 2.880 N/A ARG 93.A N LEU 117.A O no hydrogen 2.949 N/A ARG 93.A NH1 GLU 94.A OE1 no hydrogen 2.831 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.826 N/A SER 95.A N GLN 64.A O no hydrogen 3.275 N/A THR 97.A N ALA 121.A O no hydrogen 3.276 N/A THR 97.A OG1 HIS 122.A ND1 no hydrogen 2.823 N/A ILE 98.A N SER 67.A O no hydrogen 3.130 N/A HIS 99.A N ILE 123.A O no hydrogen 2.979 N/A ARG 100.A N GLU 70.A O no hydrogen 2.984 N/A ARG 100.A NE GLY 69.A O no hydrogen 2.894 N/A ARG 100.A NH1 TYR 77.A OH no hydrogen 3.465 N/A ARG 100.A NH2 ASN 51.A OD1 no hydrogen 2.968 N/A ARG 100.A NH2 GLY 69.A O no hydrogen 2.875 N/A THR 102.A N ASP 126.A OD1 no hydrogen 3.423 N/A THR 102.A N ASP 126.A OD2 no hydrogen 2.912 N/A THR 102.A OG1 ASP 126.A OD2 no hydrogen 2.529 N/A GLY 105.A N THR 102.A O no hydrogen 3.078 N/A GLY 107.A N ASP 126.A OD1 no hydrogen 3.178 N/A THR 109.A N ARG 83.A O no hydrogen 3.028 N/A THR 109.A OG1 HIS 99.A O no hydrogen 2.772 N/A LYS 110.A N CYS 127.A O no hydrogen 2.865 N/A VAL 111.A N GLU 85.A O no hydrogen 2.715 N/A GLY 112.A N VAL 129.A O no hydrogen 2.760 N/A SER 113.A N ASN 131.A OD1 no hydrogen 2.693 N/A ASP 114.A N ASP 88.A O no hydrogen 2.833 N/A ASN 115.A N ASN 90.A OD1 no hydrogen 2.941 N/A ASN 115.A ND2 ASN 90.A OD1 no hydrogen 3.123 N/A ASN 115.A ND2 GLY 130.A O no hydrogen 2.848 N/A LEU 116.A N CYS 133.A O no hydrogen 2.982 N/A LEU 117.A N ARG 91.A O no hydrogen 2.986 N/A MET 118.A N LEU 135.A O no hydrogen 2.835 N/A ASN 120.A N GLU 94.A O no hydrogen 3.064 N/A ASN 120.A ND2 ASN 138.A OD1 no hydrogen 3.194 N/A ALA 121.A N MET 118.A O no hydrogen 3.078 N/A HIS 122.A N ALA 139.A O no hydrogen 3.001 N/A HIS 122.A ND1 THR 97.A OG1 no hydrogen 2.823 N/A ILE 123.A N THR 97.A O no hydrogen 2.808 N/A ASP 126.A N THR 109.A OG1 no hydrogen 2.954 N/A CYS 127.A SG ALA 124.A O no hydrogen 3.415 N/A CYS 127.A SG HIS 125.A O no hydrogen 4.003 N/A CYS 127.A SG ALA 142.A O no hydrogen 3.035 N/A THR 128.A N VAL 145.A O no hydrogen 2.807 N/A VAL 129.A N LYS 110.A O no hydrogen 2.781 N/A GLY 130.A N VAL 147.A O no hydrogen 2.658 N/A ASN 131.A N ASP 149.A OD2 no hydrogen 3.378 N/A ASN 131.A ND2 ASP 149.A OD2 no hydrogen 3.103 N/A ARG 132.A N SER 113.A O no hydrogen 2.853 N/A CYS 133.A N ASN 115.A OD1 no hydrogen 2.578 N/A CYS 133.A SG ASN 131.A O no hydrogen 3.598 N/A CYS 133.A SG VAL 147.A O no hydrogen 3.927 N/A CYS 133.A SG ASP 148.A O no hydrogen 3.231 N/A ILE 134.A N ALA 151.A O no hydrogen 3.015 N/A LEU 135.A N LEU 116.A O no hydrogen 3.060 N/A ALA 136.A N ILE 153.A O no hydrogen 2.879 N/A ASN 138.A N ILE 119.A O no hydrogen 3.065 N/A ALA 139.A N ALA 136.A O no hydrogen 3.167 N/A THR 140.A N THR 157.A O no hydrogen 2.967 N/A THR 140.A OG1 ASN 138.A O no hydrogen 3.143 N/A LEU 141.A N HIS 122.A O no hydrogen 2.948 N/A ALA 142.A N VAL 159.A O no hydrogen 3.035 N/A HIS 144.A N HIS 125.A O no hydrogen 3.070 N/A SER 146.A N CYS 163.A O no hydrogen 3.175 N/A VAL 147.A N THR 128.A O no hydrogen 2.732 N/A ASP 148.A N ILE 165.A O no hydrogen 2.861 N/A PHE 150.A N ASN 131.A O no hydrogen 2.849 N/A ALA 151.A N ASP 148.A O no hydrogen 3.408 N/A ILE 152.A N VAL 169.A O no hydrogen 2.773 N/A ILE 153.A N ILE 134.A O no hydrogen 2.761 N/A GLY 154.A N VAL 171.A O no hydrogen 2.929 N/A MET 156.A N ASN 137.A O no hydrogen 2.878 N/A THR 157.A OG1 GLY 154.A O no hydrogen 3.170 N/A THR 157.A OG1 GLY 155.A O no hydrogen 3.401 N/A THR 157.A OG1 GLY 172.A O no hydrogen 3.096 N/A VAL 159.A N THR 140.A O no hydrogen 2.898 N/A HIS 160.A N VAL 177.A O no hydrogen 2.843 N/A PHE 162.A N GLY 143.A O no hydrogen 3.011 N/A CYS 163.A N HIS 160.A O no hydrogen 3.356 N/A CYS 163.A SG HIS 160.A O no hydrogen 3.315 N/A CYS 163.A SG GLN 161.A O no hydrogen 3.727 N/A CYS 163.A SG VAL 177.A O no hydrogen 3.989 N/A ILE 165.A N SER 146.A O no hydrogen 2.773 N/A GLY 166.A N VAL 181.A O no hydrogen 2.881 N/A HIS 168.A N ASP 149.A O no hydrogen 2.880 N/A MET 170.A N VAL 185.A O no hydrogen 3.192 N/A VAL 171.A N ILE 152.A O no hydrogen 2.831 N/A GLY 172.A N ALA 187.A O no hydrogen 2.706 N/A CYS 174.A N GLY 155.A O no hydrogen 2.723 N/A SER 175.A N THR 157.A OG1 no hydrogen 3.234 N/A SER 175.A OG GLY 172.A O no hydrogen 3.084 N/A SER 175.A OG GLY 173.A O no hydrogen 3.338 N/A SER 175.A OG GLY 189.A O no hydrogen 3.509 N/A GLY 176.A N GLY 189.A O no hydrogen 3.063 N/A VAL 177.A N ALA 158.A O no hydrogen 3.220 N/A GLN 179.A NE2 ARG 258.A O no hydrogen 2.968 N/A ASP 180.A N GLY 259.A O no hydrogen 2.801 N/A VAL 181.A N ILE 164.A O no hydrogen 2.862 N/A TYR 184.A N ALA 167.A O no hydrogen 2.883 N/A TYR 184.A OH GLU 245.A O no hydrogen 2.754 N/A ILE 186.A N GLY 196.A O no hydrogen 3.100 N/A ALA 187.A N MET 170.A O no hydrogen 3.030 N/A GLN 188.A N THR 193.A O no hydrogen 3.211 N/A ALA 192.A N GLY 176.A O no hydrogen 2.691 N/A THR 193.A N GLN 188.A O no hydrogen 2.946 N/A THR 193.A OG1 GLN 188.A O no hydrogen 3.501 N/A PHE 195.A N ILE 186.A O no hydrogen 2.847 N/A GLY 196.A N TYR 219.A OH no hydrogen 2.835 N/A ASN 198.A N TYR 184.A O no hydrogen 2.648 N/A ASN 198.A ND2 HIS 168.A O no hydrogen 3.192 N/A ILE 199.A N VAL 197.A O no hydrogen 2.746 N/A GLY 201.A N ASN 198.A OD1 no hydrogen 3.276 N/A LEU 202.A N ASN 198.A O no hydrogen 3.358 N/A LYS 203.A N ILE 199.A O no hydrogen 3.324 N/A ARG 204.A N GLU 200.A O no hydrogen 3.047 N/A ARG 204.A NH1 GLU 200.A OE1 no hydrogen 2.743 N/A ARG 205.A N GLY 201.A O no hydrogen 3.083 N/A ARG 205.A NH1 HIS 168.A ND1 no hydrogen 3.045 N/A PHE 207.A N LEU 202.A O no hydrogen 2.923 N/A SER 208.A OG GLU 210.A OE1 no hydrogen 3.548 N/A ALA 211.A N SER 208.A OG no hydrogen 3.425 N/A ILE 212.A N SER 208.A O no hydrogen 3.058 N/A THR 213.A N ARG 209.A O no hydrogen 3.087 N/A THR 213.A OG1 ARG 209.A O no hydrogen 2.588 N/A ALA 214.A N GLU 210.A O no hydrogen 2.869 N/A ILE 215.A N ALA 211.A O no hydrogen 2.876 N/A ARG 216.A N ILE 212.A O no hydrogen 3.099 N/A ASN 217.A N THR 213.A O no hydrogen 3.158 N/A ALA 218.A N ALA 214.A O no hydrogen 3.044 N/A TYR 219.A N ILE 215.A O no hydrogen 2.889 N/A LYS 220.A N ARG 216.A O no hydrogen 2.872 N/A LEU 221.A N ASN 217.A O no hydrogen 2.878 N/A ILE 222.A N ALA 218.A O no hydrogen 3.010 N/A TYR 223.A N TYR 219.A O no hydrogen 2.883 N/A TYR 223.A OH ILE 261.A O no hydrogen 2.912 N/A ARG 224.A N LYS 220.A O no hydrogen 3.084 N/A SER 225.A OG LEU 221.A O no hydrogen 2.602 N/A LYS 227.A N SER 225.A OG no hydrogen 3.346 N/A LYS 227.A NZ GLU 235.A OE1 no hydrogen 3.008 N/A THR 228.A OG1 GLU 231.A OE1 no hydrogen 2.660 N/A GLU 231.A N THR 228.A O no hydrogen 3.346 N/A VAL 232.A N THR 228.A O no hydrogen 3.318 N/A VAL 232.A N LEU 229.A O no hydrogen 3.186 N/A LYS 233.A N LEU 229.A O no hydrogen 2.832 N/A ILE 236.A N VAL 232.A O no hydrogen 2.963 N/A ALA 237.A N LYS 233.A O no hydrogen 3.088 N/A GLU 238.A N PRO 234.A O no hydrogen 3.275 N/A LEU 239.A N GLU 235.A O no hydrogen 3.208 N/A ALA 240.A N ILE 236.A O no hydrogen 2.882 N/A TYR 243.A N LEU 239.A O no hydrogen 3.320 N/A GLU 245.A N GLU 245.A OE1 no hydrogen 2.770 N/A VAL 246.A N TYR 243.A O no hydrogen 3.069 N/A LYS 247.A N PRO 244.A O no hydrogen 3.383 N/A PHE 249.A N VAL 246.A O no hydrogen 3.143 N/A THR 250.A OG1 LYS 247.A O no hydrogen 3.033 N/A ASP 251.A N LYS 247.A O no hydrogen 3.035 N/A PHE 252.A N ALA 248.A O no hydrogen 3.187 N/A PHE 253.A N PHE 249.A O no hydrogen 2.940 N/A ARG 255.A N PHE 252.A O no hydrogen 3.046 N/A ARG 255.A NH2 ASP 148.A OD1 no hydrogen 2.850 N/A SER 256.A N PHE 252.A O no hydrogen 2.888 N/A ARG 258.A N ASP 180.A OD2 no hydrogen 3.266 N/A ILE 261.A N ASP 180.A O no hydrogen 3.181 N/A ARG 262.A NH1 ILE 222.A O no hydrogen 3.034 N/A