Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kmg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 GLN 204.A OE1 no hydrogen 3.197 N/A ARG 4.A NH2 GLN 204.A OE1 no hydrogen 3.332 N/A ALA 5.A N ASP 2.A OD1 no hydrogen 3.005 N/A LEU 6.A N ASP 2.A O no hydrogen 2.850 N/A ALA 7.A N LEU 3.A O no hydrogen 3.111 N/A LYS 8.A N ARG 4.A O no hydrogen 3.079 N/A HIS 9.A N ALA 5.A O no hydrogen 2.880 N/A HIS 9.A NE2 SER 86.A O no hydrogen 2.859 N/A LEU 10.A N LEU 6.A O no hydrogen 2.901 N/A TYR 11.A N ALA 7.A O no hydrogen 3.010 N/A ASP 12.A N LYS 8.A O no hydrogen 2.948 N/A SER 13.A N HIS 9.A O no hydrogen 3.013 N/A SER 13.A OG.A SER 86.A OG no hydrogen 2.477 N/A SER 13.A OG.B SER 86.A OG no hydrogen 2.614 N/A TYR 14.A N LEU 10.A O no hydrogen 2.833 N/A TYR 14.A OH ASP 165.A OD1 no hydrogen 2.697 N/A ILE 15.A N TYR 11.A O no hydrogen 2.940 N/A LYS 16.A N ASP 12.A O no hydrogen 3.096 N/A SER 17.A N SER 13.A O no hydrogen 2.883 N/A SER 17.A N TYR 14.A O no hydrogen 3.075 N/A SER 17.A OG SER 13.A O no hydrogen 2.707 N/A SER 17.A OG GLU 82.A OE2 no hydrogen 3.365 N/A PHE 18.A N TYR 14.A O no hydrogen 2.898 N/A LYS 22.A N ASP 165.A OD1 no hydrogen 2.894 N/A LYS 22.A NZ LEU 163.A O no hydrogen 2.752 N/A ALA 23.A N ASP 165.A OD2 no hydrogen 2.921 N/A LYS 24.A N THR 21.A OG1 no hydrogen 3.083 N/A ALA 25.A N THR 21.A O no hydrogen 2.895 N/A ARG 26.A N LYS 22.A O no hydrogen 2.773 N/A ARG 26.A NH1 MET 118.A O no hydrogen 3.461 N/A ARG 26.A NH2 SER 116.A O no hydrogen 2.770 N/A ARG 26.A NH2 MET 118.A O no hydrogen 2.728 N/A ALA 27.A N ALA 23.A O no hydrogen 3.068 N/A ILE 28.A N LYS 24.A O no hydrogen 3.026 N/A LEU 29.A N ALA 25.A O no hydrogen 2.816 N/A THR 30.A N ARG 26.A O no hydrogen 2.951 N/A THR 30.A OG1 ARG 26.A O no hydrogen 2.798 N/A THR 30.A OG1 ALA 27.A O no hydrogen 3.434 N/A GLY 31.A N ILE 28.A O no hydrogen 3.129 N/A LYS 32.A N ALA 27.A O no hydrogen 2.795 N/A PHE 39.A N GLN 129.A O no hydrogen 3.000 N/A ILE 41.A N PHE 131.A O no hydrogen 2.780 N/A TYR 42.A N SER 46.A OG no hydrogen 2.915 N/A ASP 43.A N SER 46.A OG no hydrogen 2.987 N/A SER 46.A N ASP 43.A OD1 no hydrogen 2.664 N/A SER 46.A OG ASP 43.A O no hydrogen 3.131 N/A SER 46.A OG ASP 43.A OD1 no hydrogen 2.627 N/A LEU 47.A N ASP 43.A O no hydrogen 2.966 N/A MET 48.A N MET 44.A O no hydrogen 2.880 N/A MET 49.A N ASN 45.A O no hydrogen 2.768 N/A GLY 50.A N SER 46.A O no hydrogen 2.725 N/A GLU 51.A N LEU 47.A O no hydrogen 3.050 N/A ASP 52.A N MET 48.A O no hydrogen 3.347 N/A LYS 53.A N MET 49.A O no hydrogen 2.586 N/A SER 58.A N GLN 67.A OE1 no hydrogen 3.129 N/A SER 58.A OG GLU 60.A O no hydrogen 3.567 N/A GLU 60.A N SER 58.A OG no hydrogen 2.993 N/A ARG 64.A N GLU 60.A O no hydrogen 2.961 N/A ARG 64.A NE.A GLU 51.A OE2 no hydrogen 2.613 N/A ARG 64.A NE.B ARG 64.A O no hydrogen 2.773 N/A ARG 64.A NH1.A GLU 51.A OE1 no hydrogen 2.875 N/A ARG 64.A NH1.B ARG 64.A O no hydrogen 3.234 N/A ARG 64.A NH2.A SER 58.A O no hydrogen 2.635 N/A ARG 64.A NH2.B GLU 51.A OE2 no hydrogen 3.351 N/A ILE 65.A N VAL 61.A O no hydrogen 2.991 N/A PHE 66.A N ALA 62.A O no hydrogen 3.050 N/A GLN 67.A N ILE 63.A O no hydrogen 2.786 N/A GLY 68.A N ARG 64.A O no hydrogen 2.982 N/A CYS 69.A N ILE 65.A O no hydrogen 2.985 N/A CYS 69.A SG ILE 65.A O no hydrogen 3.419 N/A GLN 70.A N PHE 66.A O no hydrogen 3.023 N/A GLN 70.A NE2 SER 247.A O no hydrogen 3.324 N/A PHE 71.A N GLN 67.A O no hydrogen 3.015 N/A ARG 72.A N GLY 68.A O no hydrogen 3.044 N/A ARG 72.A NH1 GLU 75.A OE1 no hydrogen 2.864 N/A SER 73.A N CYS 69.A O no hydrogen 2.909 N/A SER 73.A OG CYS 69.A O no hydrogen 2.636 N/A VAL 74.A N GLN 70.A O no hydrogen 2.906 N/A GLU 75.A N PHE 71.A O no hydrogen 3.174 N/A ALA 76.A N ARG 72.A O no hydrogen 2.899 N/A VAL 77.A N SER 73.A O no hydrogen 2.923 N/A GLN 78.A N VAL 74.A O no hydrogen 3.402 N/A GLN 78.A NE2 VAL 74.A O no hydrogen 3.425 N/A GLU 79.A N GLU 75.A O no hydrogen 3.089 N/A ILE 80.A N ALA 76.A O no hydrogen 2.872 N/A THR 81.A N VAL 77.A O no hydrogen 2.962 N/A THR 81.A OG1 VAL 77.A O no hydrogen 2.750 N/A GLU 82.A N GLN 78.A O no hydrogen 3.010 N/A TYR 83.A N GLU 79.A O no hydrogen 2.885 N/A TYR 83.A OH ALA 169.A O no hydrogen 2.587 N/A ALA 84.A N ILE 80.A O no hydrogen 2.737 N/A LYS 85.A N THR 81.A O no hydrogen 3.153 N/A SER 86.A N TYR 83.A O no hydrogen 2.962 N/A SER 86.A OG SER 13.A OG.A no hydrogen 2.477 N/A SER 86.A OG SER 13.A OG.B no hydrogen 2.614 N/A SER 86.A OG TYR 83.A O no hydrogen 2.645 N/A ILE 87.A N ALA 84.A O no hydrogen 2.945 N/A PHE 90.A N ILE 87.A O no hydrogen 3.026 N/A ASN 92.A N GLY 89.A O no hydrogen 3.171 N/A LEU 93.A N PHE 90.A O no hydrogen 3.061 N/A ASN 96.A N ASP 94.A OD1 no hydrogen 2.787 N/A GLN 98.A N ASP 94.A O no hydrogen 2.974 N/A GLN 98.A NE2 VAL 91.A O no hydrogen 3.281 N/A GLN 98.A NE2 LEU 93.A O no hydrogen 2.769 N/A VAL 99.A N LEU 95.A O no hydrogen 3.089 N/A THR 100.A N ASN 96.A O no hydrogen 3.053 N/A THR 100.A OG1 ASN 96.A O no hydrogen 2.901 N/A LEU 101.A N ASP 97.A O no hydrogen 2.795 N/A LEU 102.A N GLN 98.A O no hydrogen 3.117 N/A LYS 103.A N VAL 99.A O no hydrogen 2.844 N/A LYS 103.A NZ ILE 255.A O no hydrogen 2.745 N/A LYS 103.A NZ LYS 257.A O no hydrogen 2.565 N/A TYR 104.A N THR 100.A O no hydrogen 3.082 N/A GLY 105.A N LEU 102.A O no hydrogen 3.158 N/A VAL 106.A N LEU 102.A O no hydrogen 3.020 N/A HIS 107.A NE2 TYR 256.A OH no hydrogen 2.747 N/A ILE 109.A N GLY 105.A O no hydrogen 3.058 N/A ILE 110.A N VAL 106.A O no hydrogen 2.783 N/A TYR 111.A N HIS 107.A O no hydrogen 3.040 N/A THR 112.A N GLU 108.A O no hydrogen 3.064 N/A THR 112.A OG1 GLU 108.A O no hydrogen 2.763 N/A MET 113.A N ILE 109.A O no hydrogen 2.976 N/A LEU 114.A N ILE 110.A O no hydrogen 2.766 N/A SER 116.A N MET 113.A O no hydrogen 3.069 N/A LEU 117.A N LEU 114.A O no hydrogen 2.914 N/A MET 118.A N ALA 115.A O no hydrogen 3.055 N/A ASN 119.A N GLY 122.A O no hydrogen 3.068 N/A ASP 121.A N ASN 119.A OD1 no hydrogen 2.824 N/A GLY 122.A N ASN 119.A OD1 no hydrogen 2.982 N/A VAL 123.A N MET 132.A O no hydrogen 2.891 N/A LEU 124.A N LEU 117.A O no hydrogen 2.873 N/A ILE 125.A N GLY 130.A O no hydrogen 2.872 N/A GLY 128.A N ILE 125.A O no hydrogen 3.024 N/A GLN 129.A N SER 126.A O no hydrogen 3.180 N/A GLN 129.A NE2 SER 126.A O no hydrogen 3.080 N/A GLY 130.A N ILE 125.A O no hydrogen 3.086 N/A PHE 131.A N PHE 39.A O no hydrogen 2.872 N/A MET 132.A N VAL 123.A O no hydrogen 2.811 N/A THR 133.A N ILE 41.A O no hydrogen 2.990 N/A ARG 134.A N ASP 121.A O no hydrogen 2.752 N/A ARG 134.A NE GLU 149.A OE1 no hydrogen 2.970 N/A ARG 134.A NE GLU 149.A OE2 no hydrogen 3.255 N/A ARG 134.A NH1 LYS 120.A O no hydrogen 2.932 N/A ARG 134.A NH2 GLU 149.A OE2 no hydrogen 2.894 N/A PHE 136.A N THR 133.A OG1 no hydrogen 3.254 N/A LEU 137.A N THR 133.A O no hydrogen 3.164 N/A LYS 138.A N ARG 134.A O no hydrogen 2.938 N/A SER 139.A N GLU 135.A O no hydrogen 2.990 N/A SER 139.A N PHE 136.A O no hydrogen 3.105 N/A SER 139.A OG PHE 136.A O no hydrogen 2.749 N/A LEU 140.A N LEU 137.A O no hydrogen 3.480 N/A ARG 141.A NE GLU 60.A OE2 no hydrogen 2.843 N/A ARG 141.A NH1 LYS 142.A O no hydrogen 3.174 N/A ARG 141.A NH1 GLU 244.A OE2 no hydrogen 2.752 N/A ARG 141.A NH2 GLU 60.A OE1 no hydrogen 2.941 N/A ARG 141.A NH2 GLU 60.A OE2 no hydrogen 3.454 N/A ARG 141.A NH2 GLU 244.A OE1 no hydrogen 3.074 N/A PHE 144.A N ARG 141.A O no hydrogen 2.824 N/A PHE 147.A N PHE 144.A O no hydrogen 3.099 N/A LYS 151.A NZ PHE 147.A O no hydrogen 2.700 N/A LYS 151.A NZ HIS 233.A ND1 no hydrogen 3.238 N/A PHE 152.A N MET 148.A O no hydrogen 3.142 N/A GLU 153.A N GLU 149.A O no hydrogen 2.971 N/A PHE 154.A N PRO 150.A O no hydrogen 3.116 N/A ALA 155.A N LYS 151.A O no hydrogen 2.918 N/A VAL 156.A N PHE 152.A O no hydrogen 2.982 N/A LYS 157.A N GLU 153.A O no hydrogen 3.461 N/A PHE 158.A N PHE 154.A O no hydrogen 2.812 N/A ASN 159.A N ALA 155.A O no hydrogen 2.723 N/A ASN 159.A ND2 ALA 115.A O no hydrogen 2.902 N/A ALA 160.A N LYS 157.A O no hydrogen 3.238 N/A LEU 161.A N PHE 158.A O no hydrogen 3.035 N/A GLU 162.A N ASN 159.A O no hydrogen 3.020 N/A ASP 164.A N ASP 167.A OD2 no hydrogen 2.958 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.710 N/A ASP 167.A N ASP 164.A OD1 no hydrogen 3.148 N/A LEU 168.A N ASP 164.A O no hydrogen 2.885 N/A ALA 169.A N ASP 165.A O no hydrogen 2.845 N/A PHE 171.A N ASP 167.A O no hydrogen 3.070 N/A ILE 172.A N LEU 168.A O no hydrogen 2.873 N/A ALA 173.A N ALA 169.A O no hydrogen 3.292 N/A VAL 174.A N ILE 170.A O no hydrogen 2.986 N/A ILE 175.A N PHE 171.A O no hydrogen 3.021 N/A ILE 176.A N ILE 172.A O no hydrogen 3.048 N/A LEU 177.A N ALA 173.A O no hydrogen 3.127 N/A SER 178.A OG ILE 175.A O no hydrogen 2.706 N/A ARG 181.A NH1 GLU 108.A OE1 no hydrogen 3.546 N/A ARG 181.A NH1 GLU 108.A OE2 no hydrogen 3.039 N/A ARG 181.A NH2 GLU 108.A OE1 no hydrogen 2.904 N/A ARG 181.A NH2 ILE 175.A O no hydrogen 3.316 N/A LEU 185.A N ASP 97.A OD1 no hydrogen 2.772 N/A ASN 186.A N ASP 97.A OD2 no hydrogen 2.946 N/A LYS 188.A NZ ASP 192.A OD1 no hydrogen 3.461 N/A GLU 191.A N VAL 187.A O no hydrogen 3.111 N/A ASP 192.A N LYS 188.A O no hydrogen 2.932 N/A ILE 193.A N PRO 189.A O no hydrogen 3.296 N/A GLN 194.A N ILE 190.A O no hydrogen 2.960 N/A GLN 194.A NE2 VAL 174.A O no hydrogen 2.815 N/A ASP 195.A N GLU 191.A O no hydrogen 2.840 N/A ASN 196.A N ASP 192.A O no hydrogen 3.486 N/A LEU 197.A N ILE 193.A O no hydrogen 2.995 N/A LEU 198.A N GLN 194.A O no hydrogen 2.796 N/A GLN 199.A N ASP 195.A O no hydrogen 3.146 N/A ALA 200.A N ASN 196.A O no hydrogen 3.051 N/A LEU 201.A N LEU 197.A O no hydrogen 2.882 N/A GLU 202.A N LEU 198.A O no hydrogen 2.780 N/A LEU 203.A N GLN 199.A O no hydrogen 3.011 N/A GLN 204.A N ALA 200.A O no hydrogen 2.972 N/A GLN 204.A NE2 ASP 167.A OD1 no hydrogen 2.954 N/A LEU 205.A N LEU 201.A O no hydrogen 2.940 N/A LYS 206.A N GLU 202.A O no hydrogen 2.979 N/A LYS 206.A NZ SER 213.A O no hydrogen 2.918 N/A LEU 207.A N LEU 203.A O no hydrogen 2.898 N/A ASN 208.A N GLN 204.A O no hydrogen 3.022 N/A HIS 209.A N LEU 205.A O no hydrogen 2.833 N/A HIS 209.A NE2 ASP 167.A OD2 no hydrogen 2.573 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.413 N/A SER 212.A N HIS 209.A O no hydrogen 3.166 N/A LEU 215.A N SER 212.A O no hydrogen 3.287 N/A LYS 218.A N GLN 214.A O no hydrogen 2.970 N/A LEU 219.A N LEU 215.A O no hydrogen 2.730 N/A LEU 220.A N PHE 216.A O no hydrogen 3.011 N/A GLN 221.A N ALA 217.A O no hydrogen 3.171 N/A GLN 221.A NE2 ALA 217.A O no hydrogen 3.182 N/A LYS 222.A N LEU 219.A O no hydrogen 3.119 N/A MET 223.A N LEU 220.A O no hydrogen 3.445 N/A LEU 226.A N LYS 222.A O no hydrogen 2.996 N/A ARG 227.A N MET 223.A O no hydrogen 2.789 N/A ARG 227.A NE GLU 108.A OE2 no hydrogen 2.978 N/A ARG 227.A NH1 ASP 180.A OD2 no hydrogen 3.453 N/A ARG 227.A NH2 ASP 180.A OD1 no hydrogen 3.477 N/A GLN 228.A N THR 224.A O no hydrogen 2.865 N/A ILE 229.A N ASP 225.A O no hydrogen 3.098 N/A VAL 230.A N LEU 226.A O no hydrogen 3.164 N/A THR 231.A N ARG 227.A O no hydrogen 2.966 N/A THR 231.A OG1 ARG 227.A O no hydrogen 2.974 N/A GLU 232.A N GLN 228.A O no hydrogen 2.998 N/A HIS 233.A N ILE 229.A O no hydrogen 2.844 N/A HIS 233.A NE2 TYR 256.A OH no hydrogen 2.764 N/A VAL 234.A N VAL 230.A O no hydrogen 2.895 N/A GLN 235.A N THR 231.A O no hydrogen 3.074 N/A LEU 236.A N GLU 232.A O no hydrogen 2.964 N/A LEU 237.A N HIS 233.A O no hydrogen 3.018 N/A GLN 238.A N VAL 234.A O no hydrogen 3.112 N/A VAL 239.A N GLN 235.A O no hydrogen 3.194 N/A ILE 240.A N LEU 236.A O no hydrogen 2.842 N/A LYS 241.A N LEU 237.A O no hydrogen 2.805 N/A LYS 242.A N GLN 238.A O no hydrogen 3.119 N/A THR 243.A N VAL 239.A O no hydrogen 2.819 N/A THR 243.A OG1 VAL 239.A O no hydrogen 3.260 N/A THR 243.A OG1 ILE 240.A O no hydrogen 3.539 N/A THR 243.A OG1 GLU 244.A OE2 no hydrogen 3.122 N/A GLU 244.A N ILE 240.A O no hydrogen 2.921 N/A MET 246.A N GLU 244.A O no hydrogen 3.104 N/A HIS 249.A N GLN 70.A OE1 no hydrogen 2.915 N/A LEU 251.A N HIS 249.A ND1 no hydrogen 3.036 N/A GLN 253.A N HIS 249.A O no hydrogen 3.033 N/A GLU 254.A N PRO 250.A O no hydrogen 2.997 N/A ILE 255.A N LEU 251.A O no hydrogen 3.141 N/A TYR 256.A N LEU 252.A O no hydrogen 2.920 N/A TYR 256.A OH HIS 107.A NE2 no hydrogen 2.747 N/A LYS 257.A N GLN 253.A O no hydrogen 2.864 N/A LEU 259.A N TYR 256.A O no hydrogen 2.931 N/A