Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rkj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N THR 18.A O no hydrogen 2.887 N/A ARG 8.A N GLN 16.A O no hydrogen 2.936 N/A GLN 9.A NE2 ALA 11.A O no hydrogen 3.210 N/A GLN 9.A NE2 PRO 12.A O no hydrogen 2.853 N/A LEU 10.A N VAL 14.A O no hydrogen 2.746 N/A ALA 11.A N VAL 14.A O no hydrogen 3.234 N/A ASN 13.A ND2 ARG 37.A O no hydrogen 3.194 N/A VAL 14.A N ALA 11.A O no hydrogen 3.179 N/A TRP 15.A N ILE 35.A O no hydrogen 2.818 N/A GLN 16.A N ARG 8.A O no hydrogen 2.890 N/A HIS 17.A N GLY 33.A O no hydrogen 2.782 N/A THR 18.A N VAL 6.A O no hydrogen 2.751 N/A THR 18.A OG1 ASN 32.A OD1 no hydrogen 2.762 N/A SER 19.A N SER 31.A O no hydrogen 3.031 N/A LEU 21.A N VAL 29.A O no hydrogen 2.921 N/A PHE 26.A N MET 23.A O no hydrogen 3.227 N/A SER 31.A N SER 19.A O no hydrogen 2.931 N/A SER 31.A OG ASP 80.A O no hydrogen 3.393 N/A ASN 32.A N SER 205.A O no hydrogen 2.885 N/A ASN 32.A ND2 MET 204.A O no hydrogen 3.015 N/A ASN 32.A ND2 HIS 206.A O no hydrogen 3.016 N/A GLY 33.A N HIS 17.A O no hydrogen 2.722 N/A LEU 34.A N VAL 45.A O no hydrogen 3.045 N/A ILE 35.A N TRP 15.A O no hydrogen 2.687 N/A VAL 36.A N LEU 43.A O no hydrogen 2.828 N/A ARG 37.A N ASN 13.A O no hydrogen 2.799 N/A ARG 37.A NH1 GLY 39.A O no hydrogen 3.380 N/A ASP 38.A N ARG 41.A O no hydrogen 2.777 N/A ARG 41.A N ASP 38.A O no hydrogen 3.063 N/A ARG 41.A NE ASP 38.A OD2 no hydrogen 2.874 N/A ARG 41.A NH1 ASN 132.A O no hydrogen 2.844 N/A ARG 41.A NH2 ASP 38.A OD2 no hydrogen 2.820 N/A ARG 41.A NH2 ASN 132.A O no hydrogen 2.820 N/A VAL 42.A N PRO 68.A O no hydrogen 2.860 N/A LEU 43.A N VAL 36.A O no hydrogen 2.842 N/A VAL 44.A N LEU 71.A O no hydrogen 3.163 N/A VAL 45.A N LEU 34.A O no hydrogen 2.820 N/A ASP 46.A N VAL 73.A O no hydrogen 2.802 N/A THR 47.A N LYS 81.A O no hydrogen 2.987 N/A THR 47.A OG1 ALA 48.A O no hydrogen 2.993 N/A THR 47.A OG1 LYS 81.A O no hydrogen 2.797 N/A ALA 48.A N THR 54.A OG1 no hydrogen 3.165 N/A GLN 53.A N THR 50.A OG1 no hydrogen 3.212 N/A GLN 53.A NE2 TYR 20.A O no hydrogen 2.996 N/A THR 54.A N THR 50.A O no hydrogen 2.852 N/A THR 54.A OG1 THR 50.A O no hydrogen 2.841 N/A ALA 55.A N ASP 51.A O no hydrogen 2.750 N/A GLN 56.A N ASP 52.A O no hydrogen 3.110 N/A ILE 57.A N GLN 53.A O no hydrogen 3.093 N/A LEU 58.A N THR 54.A O no hydrogen 3.256 N/A ASN 59.A N.A ALA 55.A O no hydrogen 2.994 N/A ASN 59.A N.B ALA 55.A O no hydrogen 2.996 N/A TRP 60.A N GLN 56.A O no hydrogen 2.916 N/A ILE 61.A N ILE 57.A O no hydrogen 3.081 N/A LYS 62.A N LEU 58.A O no hydrogen 3.015 N/A GLN 63.A N ASN 59.A O.A no hydrogen 2.986 N/A GLN 63.A N ASN 59.A O.B no hydrogen 3.007 N/A GLN 63.A NE2 ASN 59.A OD1.A no hydrogen 3.153 N/A GLU 64.A N TRP 60.A O no hydrogen 2.759 N/A ILE 65.A N ILE 61.A O no hydrogen 2.964 N/A ASN 66.A N ILE 61.A O no hydrogen 2.818 N/A ALA 70.A N VAL 42.A O no hydrogen 2.778 N/A ALA 72.A N ALA 94.A O no hydrogen 2.891 N/A VAL 73.A N VAL 44.A O no hydrogen 3.009 N/A VAL 74.A N TYR 96.A O no hydrogen 2.947 N/A THR 75.A N ASP 46.A OD1 no hydrogen 2.833 N/A THR 75.A OG1 ASP 46.A OD1 no hydrogen 3.065 N/A THR 75.A OG1 ASP 46.A OD2 no hydrogen 3.058 N/A HIS 76.A NE2 HIS 78.A ND1 no hydrogen 2.803 N/A ALA 77.A N ASP 148.A OD1 no hydrogen 2.807 N/A HIS 78.A ND1 HIS 76.A NE2 no hydrogen 2.803 N/A GLN 79.A NE2.A TRP 49.A O no hydrogen 3.678 N/A LYS 81.A N ASP 80.A OD1 no hydrogen 2.847 N/A LYS 81.A NZ SER 31.A OG no hydrogen 2.816 N/A LYS 81.A NZ ASN 32.A O no hydrogen 2.909 N/A LYS 81.A NZ SER 205.A O no hydrogen 3.355 N/A LYS 81.A NZ SER 205.A OG no hydrogen 3.247 N/A MET 82.A N HIS 78.A O no hydrogen 2.840 N/A GLY 84.A N THR 47.A OG1 no hydrogen 3.111 N/A MET 85.A N MET 82.A O no hydrogen 3.248 N/A ALA 87.A N GLY 84.A O no hydrogen 3.038 N/A LEU 88.A N GLY 84.A O no hydrogen 3.421 N/A HIS 89.A N MET 85.A O no hydrogen 3.031 N/A HIS 89.A ND1 ASP 86.A OD1 no hydrogen 2.951 N/A HIS 89.A NE2 THR 95.A OG1 no hydrogen 2.679 N/A ALA 90.A N ASP 86.A O no hydrogen 2.732 N/A ALA 91.A N ALA 87.A O no hydrogen 3.083 N/A ALA 91.A N LEU 88.A O no hydrogen 3.080 N/A GLY 92.A N HIS 89.A O no hydrogen 3.128 N/A ILE 93.A N LEU 88.A O no hydrogen 3.042 N/A THR 95.A OG1 HIS 89.A NE2 no hydrogen 2.679 N/A TYR 96.A N ALA 72.A O no hydrogen 2.842 N/A ALA 97.A N HIS 115.A O no hydrogen 3.177 N/A ASN 98.A ND2 ASP 148.A O no hydrogen 3.319 N/A ALA 99.A N LEU 117.A O no hydrogen 3.137 N/A SER 101.A OG ASP 148.A OD1 no hydrogen 2.494 N/A ASN 102.A N.A ASN 98.A O no hydrogen 3.171 N/A ASN 102.A N.B ASN 98.A O no hydrogen 3.166 N/A ASN 102.A ND2.A HIS 115.A O no hydrogen 3.271 N/A ASN 102.A ND2.A SER 116.A OG no hydrogen 2.980 N/A GLN 103.A N ALA 99.A O no hydrogen 3.069 N/A LEU 104.A N LEU 100.A O no hydrogen 2.848 N/A ALA 105.A N SER 101.A O no hydrogen 2.873 N/A GLU 108.A N LEU 104.A O no hydrogen 3.109 N/A GLU 108.A N ALA 105.A O no hydrogen 2.765 N/A GLY 109.A N PRO 106.A O no hydrogen 2.949 N/A MET 110.A N ALA 105.A O no hydrogen 2.910 N/A ALA 113.A N ASN 102.A OD1.A no hydrogen 2.881 N/A GLN 114.A N THR 95.A OG1 no hydrogen 2.928 N/A HIS 115.A N THR 95.A O no hydrogen 3.021 N/A SER 116.A OG ASN 102.A OD1.B no hydrogen 3.039 N/A LEU 117.A N ALA 97.A O no hydrogen 2.755 N/A THR 118.A N THR 129.A OG1 no hydrogen 3.168 N/A ALA 120.A N TRP 124.A O no hydrogen 2.933 N/A GLY 123.A N ALA 120.A O no hydrogen 2.863 N/A TRP 124.A N ASN 122.A OD1 no hydrogen 3.082 N/A VAL 125.A N VAL 138.A O no hydrogen 3.125 N/A GLU 126.A N THR 118.A O no hydrogen 3.068 N/A THR 129.A N GLU 126.A O no hydrogen 2.818 N/A THR 129.A OG1 GLU 126.A O no hydrogen 2.895 N/A ALA 130.A N PRO 127.A O no hydrogen 3.252 N/A LEU 136.A N PHE 133.A O no hydrogen 2.968 N/A LYS 137.A N GLY 153.A O no hydrogen 2.923 N/A PHE 139.A N THR 151.A O no hydrogen 2.805 N/A TYR 140.A N GLY 123.A O no hydrogen 2.730 N/A TYR 140.A OH SER 147.A O no hydrogen 2.664 N/A GLY 144.A N THR 146.A O no hydrogen 2.950 N/A HIS 145.A ND1 TYR 185.A OH no hydrogen 3.299 N/A THR 146.A N ASN 149.A OD1 no hydrogen 3.060 N/A THR 146.A OG1 ASP 148.A OD2 no hydrogen 3.131 N/A ASN 149.A ND2 GLY 142.A O no hydrogen 3.254 N/A ASN 149.A ND2 ASN 149.A O no hydrogen 2.550 N/A ILE 150.A N THR 75.A O no hydrogen 2.966 N/A THR 151.A N PHE 139.A O no hydrogen 2.816 N/A THR 151.A OG1 PHE 139.A O no hydrogen 2.863 N/A VAL 152.A N PHE 161.A O no hydrogen 3.231 N/A GLY 153.A N LYS 137.A O no hydrogen 2.789 N/A ILE 154.A N ILE 159.A O no hydrogen 3.206 N/A ASP 155.A N PRO 135.A O no hydrogen 2.834 N/A THR 157.A N ILE 154.A O no hydrogen 3.221 N/A THR 157.A OG1 ILE 154.A O no hydrogen 2.745 N/A ILE 159.A N THR 157.A OG1 no hydrogen 3.176 N/A ALA 160.A N MET 201.A O no hydrogen 2.924 N/A PHE 161.A N VAL 152.A O no hydrogen 2.844 N/A CYS 164.A SG.B SER 205.A OG no hydrogen 3.260 N/A LEU 165.A N GLY 162.A O no hydrogen 3.352 N/A LYS 167.A N THR 218.A OG1 no hydrogen 2.832 N/A LYS 167.A NZ CYS 164.A O.A no hydrogen 2.655 N/A LYS 167.A NZ CYS 164.A O.B no hydrogen 2.672 N/A SER 169.A N ASP 210.A OD1.A no hydrogen 2.916 N/A SER 169.A N ASP 210.A OD2.B no hydrogen 2.824 N/A SER 169.A OG ASP 210.A OD1.A no hydrogen 2.763 N/A SER 169.A OG ASP 210.A OD1.B no hydrogen 3.099 N/A SER 169.A OG ASP 210.A OD2.A no hydrogen 3.193 N/A SER 169.A OG ASP 210.A OD2.B no hydrogen 2.778 N/A LYS 170.A N ASP 168.A OD2 no hydrogen 3.023 N/A ALA 171.A N ASP 168.A O no hydrogen 2.800 N/A GLY 175.A N SER 173.A OG no hydrogen 3.253 N/A GLY 178.A N ASN 176.A OD1 no hydrogen 2.830 N/A ALA 180.A N LEU 177.A O no hydrogen 3.094 N/A ASP 181.A N GLY 144.A O no hydrogen 3.057 N/A HIS 184.A N.A ASP 181.A OD1 no hydrogen 3.273 N/A HIS 184.A N.B ASP 181.A OD1 no hydrogen 3.267 N/A TYR 185.A OH HIS 145.A ND1 no hydrogen 3.299 N/A TYR 185.A OH LEU 165.A O no hydrogen 3.046 N/A SER 188.A N HIS 184.A O.A no hydrogen 2.893 N/A SER 188.A N HIS 184.A O.B no hydrogen 2.906 N/A SER 188.A OG PRO 141.A O no hydrogen 3.334 N/A SER 188.A OG PRO 143.A O no hydrogen 2.562 N/A SER 188.A OG HIS 184.A O.A no hydrogen 2.964 N/A SER 188.A OG HIS 184.A O.B no hydrogen 2.963 N/A ALA 189.A N TYR 185.A O no hydrogen 2.975 N/A ARG 190.A N ALA 186.A O no hydrogen 3.064 N/A ARG 190.A NH1 ASP 223.A OD2 no hydrogen 3.045 N/A ARG 190.A NH2 ASP 223.A OD1 no hydrogen 2.921 N/A ARG 190.A NH2 ASP 223.A OD2 no hydrogen 3.268 N/A ALA 191.A N ALA 187.A O no hydrogen 2.890 N/A PHE 192.A N SER 188.A O no hydrogen 3.133 N/A GLY 193.A N ALA 189.A O no hydrogen 3.304 N/A ALA 194.A N ARG 190.A O no hydrogen 3.136 N/A ALA 195.A N ALA 191.A O no hydrogen 2.788 N/A PHE 196.A N PHE 192.A O no hydrogen 3.118 N/A ALA 199.A N PHE 196.A O no hydrogen 3.251 N/A SER 200.A N ASP 158.A O no hydrogen 2.947 N/A MET 201.A N ASP 158.A O no hydrogen 3.171 N/A ILE 202.A N ASP 210.A O.A no hydrogen 2.825 N/A ILE 202.A N ASP 210.A O.B no hydrogen 2.849 N/A VAL 203.A N ALA 160.A O no hydrogen 2.862 N/A HIS 206.A ND1 ALA 30.A O no hydrogen 2.581 N/A SER 207.A OG ASP 168.A OD1 no hydrogen 3.049 N/A ASP 210.A N.A ILE 202.A O no hydrogen 2.895 N/A ASP 210.A N.B ILE 202.A O no hydrogen 2.900 N/A SER 211.A N ASP 210.A OD1.B no hydrogen 2.751 N/A SER 211.A N ASP 210.A OD2.A no hydrogen 2.690 N/A ARG 212.A NH1 PHE 196.A O no hydrogen 2.766 N/A ARG 212.A NH1 ALA 199.A O no hydrogen 2.992 N/A ARG 212.A NH2 GLY 193.A O no hydrogen 2.732 N/A ALA 213.A N SER 211.A OG no hydrogen 3.391 N/A ALA 214.A N SER 211.A O no hydrogen 3.095 N/A ILE 215.A N ARG 212.A O no hydrogen 2.881 N/A THR 216.A N ARG 212.A O no hydrogen 3.336 N/A HIS 217.A N ALA 213.A O no hydrogen 2.787 N/A THR 218.A N ALA 214.A O no hydrogen 2.898 N/A THR 218.A OG1 ALA 214.A O no hydrogen 2.966 N/A ALA 219.A N ILE 215.A O no hydrogen 2.990 N/A ARG 220.A N THR 216.A O no hydrogen 3.041 N/A MET 221.A N HIS 217.A O no hydrogen 3.042 N/A ALA 222.A N THR 218.A O no hydrogen 2.929 N/A ASP 223.A N ALA 219.A O no hydrogen 2.814 N/A LYS 224.A N MET 221.A O no hydrogen 3.159 N/A LEU 225.A N ALA 222.A O no hydrogen 2.949 N/A ARG 226.A N ASP 223.A O no hydrogen 3.454 N/A ARG 226.A NE GLU 183.A O no hydrogen 2.779 N/A ARG 226.A NH1 GLU 183.A O no hydrogen 3.226 N/A