Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jq8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD1 no hydrogen 2.748 N/A ALA 5.A N ARG 28.A O no hydrogen 2.804 N/A VAL 6.A N VAL 88.A O no hydrogen 2.795 N/A VAL 7.A N VAL 30.A O no hydrogen 3.150 N/A THR 8.A N VAL 90.A O no hydrogen 3.136 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.274 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 3.074 N/A ALA 10.A N HIS 32.A O no hydrogen 2.739 N/A ARG 13.A NH1 LEU 190.A O no hydrogen 2.223 N/A ARG 13.A NH2 LEU 189.A O no hydrogen 2.886 N/A ARG 16.A N LYS 12.A O no hydrogen 3.323 N/A ARG 16.A NH2 GLU 46.A OE1 no hydrogen 2.747 N/A ALA 17.A N ARG 13.A O no hydrogen 2.988 N/A ILE 18.A N ILE 14.A O no hydrogen 2.978 N/A ALA 19.A N GLY 15.A O no hydrogen 3.058 N/A VAL 20.A N ARG 16.A O no hydrogen 2.750 N/A LYS 21.A N ALA 17.A O no hydrogen 2.866 N/A LYS 21.A NZ GLU 215.A OE1 no hydrogen 3.538 N/A LYS 21.A NZ ASP 219.A OD1 no hydrogen 3.127 N/A LEU 22.A N ILE 18.A O no hydrogen 2.793 N/A HIS 23.A N ALA 19.A O no hydrogen 2.936 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.641 N/A GLN 24.A N VAL 20.A O no hydrogen 2.851 N/A THR 25.A N LYS 21.A O no hydrogen 2.974 N/A THR 25.A N LEU 22.A O no hydrogen 3.111 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.562 N/A GLY 26.A N HIS 23.A O no hydrogen 3.086 N/A TYR 27.A N LEU 22.A O no hydrogen 3.007 N/A ARG 28.A N PRO 3.A O no hydrogen 2.856 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.234 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.878 N/A VAL 29.A N THR 54.A O no hydrogen 2.728 N/A VAL 30.A N ALA 5.A O no hydrogen 2.870 N/A ILE 31.A N VAL 56.A O no hydrogen 2.704 N/A HIS 32.A N VAL 7.A O no hydrogen 3.048 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.910 N/A TYR 33.A N CYS 58.A O no hydrogen 3.193 N/A ALA 37.A N ASN 35.A O no hydrogen 2.883 N/A ALA 40.A N SER 36.A O no hydrogen 3.049 N/A VAL 41.A N ALA 37.A O no hydrogen 2.998 N/A SER 42.A N GLU 38.A O no hydrogen 3.076 N/A LEU 43.A N ALA 39.A O no hydrogen 2.998 N/A ALA 44.A N ALA 40.A O no hydrogen 2.864 N/A ASP 45.A N VAL 41.A O no hydrogen 2.981 N/A GLU 46.A N SER 42.A O no hydrogen 3.175 N/A LEU 47.A N LEU 43.A O no hydrogen 2.932 N/A ASN 48.A N ALA 44.A O no hydrogen 2.923 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.903 N/A LYS 49.A N ASP 45.A O no hydrogen 2.819 N/A ARG 51.A N LEU 47.A O no hydrogen 3.012 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 2.902 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 2.855 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.998 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.641 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.623 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.953 N/A VAL 56.A N VAL 29.A O no hydrogen 3.029 N/A CYS 58.A N ILE 31.A O no hydrogen 2.801 N/A CYS 58.A SG SER 78.A OG.B no hydrogen 3.316 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 3.175 N/A ALA 60.A N TYR 33.A O no hydrogen 3.201 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.107 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.717 N/A ASN 64.A N ALA 111.A O no hydrogen 2.899 N/A VAL 67.A N SER 65.A OG no hydrogen 3.300 N/A LEU 68.A N SER 65.A O no hydrogen 3.239 N/A SER 71.A N VAL 67.A O no hydrogen 3.016 N/A SER 71.A OG VAL 67.A O no hydrogen 3.287 N/A CYS 72.A N LEU 68.A O no hydrogen 2.887 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.384 N/A CYS 72.A SG ALA 120.A O no hydrogen 3.864 N/A GLU 73.A N PRO 69.A O no hydrogen 3.032 N/A GLU 74.A N ALA 70.A O no hydrogen 3.070 N/A ILE 75.A N SER 71.A O no hydrogen 3.161 N/A ILE 76.A N CYS 72.A O no hydrogen 3.255 N/A ASN 77.A N GLU 73.A O no hydrogen 2.977 N/A ASN 77.A ND2 GLU 73.A O no hydrogen 3.522 N/A SER 78.A N GLU 74.A O no hydrogen 2.894 N/A SER 78.A OG.A ILE 75.A O no hydrogen 2.626 N/A SER 78.A OG.B GLU 74.A O no hydrogen 2.870 N/A CYS 79.A N ILE 76.A O no hydrogen 3.274 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.400 N/A PHE 80.A N ILE 76.A O no hydrogen 3.394 N/A ARG 81.A N ASN 77.A O no hydrogen 2.777 N/A ALA 82.A N SER 78.A O no hydrogen 3.306 N/A PHE 83.A N CYS 79.A O no hydrogen 2.891 N/A GLY 84.A N PHE 80.A O no hydrogen 2.740 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.875 N/A ARG 85.A NE ASP 87.A OD2 no hydrogen 3.405 N/A ARG 85.A NH2 ASP 87.A OD1 no hydrogen 3.520 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 2.775 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.976 N/A ASP 87.A N ALA 4.A O no hydrogen 2.769 N/A VAL 88.A N ALA 4.A O no hydrogen 3.140 N/A LEU 89.A N SER 136.A O no hydrogen 3.380 N/A VAL 90.A N VAL 6.A O no hydrogen 2.702 N/A ASN 91.A N VAL 138.A O no hydrogen 2.870 N/A ASN 91.A ND2 ASN 139.A OD1 no hydrogen 2.761 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.766 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.320 N/A ASN 92.A ND2 GLY 9.A O no hydrogen 3.075 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.959 N/A SER 94.A OG ALA 95.A O no hydrogen 3.345 N/A SER 94.A OG ASN 117.A OD1 no hydrogen 2.711 N/A ALA 95.A N THR 116.A OG1 no hydrogen 2.984 N/A TYR 97.A OH GLU 112.A OE1 no hydrogen 2.704 N/A THR 99.A N ALA 151.A O no hydrogen 2.750 N/A THR 99.A OG1 THR 99.A O no hydrogen 2.666 N/A THR 105.A OG1 THR 108.A OG1 no hydrogen 2.812 N/A GLU 107.A N GLU 107.A OE2 no hydrogen 2.879 N/A THR 108.A OG1 THR 105.A OG1 no hydrogen 2.812 N/A GLN 109.A N THR 105.A O no hydrogen 3.094 N/A VAL 110.A N VAL 106.A O no hydrogen 2.861 N/A ALA 111.A N GLU 107.A O no hydrogen 3.062 N/A GLU 112.A N THR 108.A O no hydrogen 2.769 N/A LEU 113.A N GLN 109.A O no hydrogen 2.924 N/A ILE 114.A N VAL 110.A O no hydrogen 2.931 N/A GLY 115.A N ALA 111.A O no hydrogen 2.919 N/A THR 116.A N GLU 112.A O no hydrogen 3.073 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.639 N/A ASN 117.A N LEU 113.A O no hydrogen 3.284 N/A ASN 117.A ND2 ALA 95.A O no hydrogen 3.091 N/A ASN 117.A ND2 LEU 113.A O no hydrogen 2.890 N/A ALA 118.A N ILE 114.A O no hydrogen 2.950 N/A ILE 119.A N ILE 114.A O no hydrogen 2.964 N/A ALA 120.A N GLY 115.A O no hydrogen 2.758 N/A PHE 122.A N ALA 118.A O no hydrogen 3.074 N/A LEU 123.A N ILE 119.A O no hydrogen 2.919 N/A LEU 124.A N ALA 120.A O no hydrogen 2.833 N/A THR 125.A N PRO 121.A O no hydrogen 2.893 N/A THR 125.A OG1 PRO 121.A O no hydrogen 2.709 N/A MET 126.A N PHE 122.A O no hydrogen 2.950 N/A SER 127.A N LEU 123.A O no hydrogen 3.016 N/A SER 127.A OG LEU 123.A O no hydrogen 3.262 N/A PHE 128.A N LEU 124.A O no hydrogen 2.898 N/A ALA 129.A N THR 125.A O no hydrogen 2.963 N/A GLN 130.A N MET 126.A O no hydrogen 2.942 N/A ARG 131.A N SER 127.A O no hydrogen 3.066 N/A ARG 131.A NE.B SER 127.A O no hydrogen 3.265 N/A ARG 131.A NH2.B GLU 73.A OE2 no hydrogen 3.530 N/A GLN 132.A N ALA 129.A O no hydrogen 2.983 N/A GLN 132.A NE2 CYS 86.A O no hydrogen 2.722 N/A GLN 132.A NE2 PHE 128.A O no hydrogen 3.166 N/A SER 136.A N ASP 87.A O no hydrogen 3.230 N/A ILE 137.A N ARG 179.A O no hydrogen 2.656 N/A VAL 138.A N LEU 89.A O no hydrogen 2.903 N/A ASN 139.A N ASN 181.A O no hydrogen 2.692 N/A ASN 139.A ND2 THR 166.A OG1 no hydrogen 2.791 N/A LEU 140.A N ASN 91.A O no hydrogen 2.925 N/A CYS 141.A N VAL 183.A O no hydrogen 2.812 N/A CYS 141.A SG ASN 139.A O no hydrogen 3.461 N/A ALA 143.A N PRO 185.A O no hydrogen 2.988 N/A MET 144.A N ASP 142.A OD1 no hydrogen 2.992 N/A VAL 145.A N ASP 142.A O no hydrogen 3.204 N/A GLN 147.A N MET 144.A O no hydrogen 3.284 N/A GLN 147.A NE2 SER 244.A O no hydrogen 3.506 N/A SER 153.A OG.A THR 99.A O no hydrogen 3.390 N/A LEU 154.A N THR 99.A OG1 no hydrogen 3.305 N/A TYR 155.A OH ASP 142.A OD2 no hydrogen 2.817 N/A ASN 156.A N PHE 152.A O no hydrogen 2.993 N/A ASN 156.A ND2 VAL 145.A O no hydrogen 3.112 N/A MET 157.A N SER 153.A O no hydrogen 2.795 N/A GLY 158.A N LEU 154.A O no hydrogen 3.029 N/A LYS 159.A N TYR 155.A O no hydrogen 3.015 N/A LYS 159.A NZ ASN 117.A OD1 no hydrogen 3.212 N/A LYS 159.A NZ LEU 140.A O no hydrogen 2.724 N/A HIS 160.A N ASN 156.A O no hydrogen 2.893 N/A HIS 160.A NE2 VAL 145.A O no hydrogen 2.853 N/A ALA 161.A N MET 157.A O no hydrogen 2.954 N/A LEU 162.A N GLY 158.A O no hydrogen 3.018 N/A VAL 163.A N LYS 159.A O no hydrogen 3.107 N/A GLY 164.A N HIS 160.A O no hydrogen 3.090 N/A LEU 165.A N ALA 161.A O no hydrogen 2.818 N/A THR 166.A N LEU 162.A O no hydrogen 2.949 N/A THR 166.A OG1 LEU 162.A O no hydrogen 2.604 N/A GLN 167.A N VAL 163.A O no hydrogen 2.956 N/A SER 168.A N GLY 164.A O no hydrogen 2.813 N/A ALA 169.A N LEU 165.A O no hydrogen 2.795 N/A ALA 170.A N THR 166.A O no hydrogen 3.160 N/A LEU 171.A N GLN 167.A O no hydrogen 3.311 N/A GLU 172.A N SER 168.A O no hydrogen 3.149 N/A LEU 173.A N ALA 169.A O no hydrogen 2.846 N/A ALA 174.A N ALA 170.A O no hydrogen 3.176 N/A TYR 176.A N LEU 173.A O no hydrogen 2.881 N/A GLY 177.A N ALA 174.A O no hydrogen 3.115 N/A ILE 178.A N LEU 173.A O no hydrogen 3.264 N/A ARG 179.A N LEU 135.A O no hydrogen 3.039 N/A ARG 179.A NH1 LEU 224.A O no hydrogen 2.851 N/A ARG 179.A NH1 ILE 232.A O no hydrogen 3.040 N/A ARG 179.A NH2 ASN 134.A OD1 no hydrogen 3.202 N/A ARG 179.A NH2 LEU 224.A O no hydrogen 2.842 N/A VAL 180.A N THR 233.A OG1 no hydrogen 2.847 N/A ASN 181.A N ILE 137.A O no hydrogen 2.884 N/A ASN 181.A ND2 ILE 232.A O no hydrogen 3.001 N/A GLY 182.A N SER 235.A O no hydrogen 2.889 N/A VAL 183.A N ASN 139.A O no hydrogen 3.021 N/A ALA 184.A N ILE 237.A O no hydrogen 2.760 N/A GLY 186.A N VAL 239.A O no hydrogen 3.348 N/A SER 188.A OG ALA 212.A O no hydrogen 2.947 N/A LEU 189.A N SER 188.A OG no hydrogen 2.652 N/A MET 193.A N PRO 191.A O no hydrogen 2.816 N/A LYS 198.A N GLY 194.A O no hydrogen 2.945 N/A LYS 198.A NZ PRO 191.A O no hydrogen 3.031 N/A LYS 198.A NZ GLU 195.A OE2 no hydrogen 3.034 N/A ASP 199.A N GLU 195.A O no hydrogen 3.066 N/A ARG 202.A N LYS 198.A O no hydrogen 3.085 N/A ARG 202.A NE GLU 211.A OE2 no hydrogen 2.883 N/A ARG 202.A NH1 GLU 195.A OE1 no hydrogen 2.689 N/A ARG 202.A NH1 ASP 199.A OD2 no hydrogen 2.748 N/A ARG 202.A NH2 GLU 211.A OE1 no hydrogen 3.148 N/A ARG 203.A N ASP 199.A O no hydrogen 3.014 N/A ARG 203.A NE LYS 200.A O no hydrogen 2.804 N/A LYS 204.A N TRP 201.A O no hydrogen 3.207 N/A VAL 205.A N ARG 202.A O no hydrogen 3.145 N/A LEU 207.A N GLY 241.A O no hydrogen 2.967 N/A GLY 208.A N PRO 206.A O no hydrogen 3.185 N/A ARG 209.A N VAL 205.A O no hydrogen 3.075 N/A ARG 209.A NH1 ARG 203.A O no hydrogen 2.786 N/A GLU 211.A N GLU 211.A OE2 no hydrogen 2.889 N/A ALA 212.A N VAL 187.A O no hydrogen 2.926 N/A SER 213.A N GLN 216.A OE1 no hydrogen 3.235 N/A GLN 216.A N SER 213.A OG no hydrogen 3.166 N/A ILE 217.A N SER 213.A O no hydrogen 3.391 N/A ALA 218.A N ALA 214.A O no hydrogen 2.989 N/A ASP 219.A N GLU 215.A O no hydrogen 2.911 N/A ALA 220.A N ILE 217.A O no hydrogen 3.194 N/A VAL 221.A N ILE 217.A O no hydrogen 3.449 N/A ILE 222.A N ALA 218.A O no hydrogen 2.887 N/A PHE 223.A N ASP 219.A O no hydrogen 3.081 N/A LEU 224.A N ALA 220.A O no hydrogen 3.137 N/A VAL 225.A N VAL 221.A O no hydrogen 3.067 N/A SER 226.A N PHE 223.A O no hydrogen 3.092 N/A SER 226.A OG PHE 223.A O no hydrogen 2.643 N/A SER 228.A N SER 226.A OG no hydrogen 3.144 N/A ALA 229.A N SER 226.A O no hydrogen 3.211 N/A GLN 230.A N GLY 227.A O no hydrogen 3.429 N/A GLN 230.A NE2.B ASN 134.A OD1 no hydrogen 2.687 N/A GLN 230.A NE2.B SER 226.A O no hydrogen 3.378 N/A ILE 232.A N ALA 229.A O no hydrogen 2.818 N/A THR 233.A OG1 VAL 180.A O no hydrogen 3.441 N/A GLY 234.A N VAL 180.A O no hydrogen 2.702 N/A SER 235.A N ASN 181.A OD1 no hydrogen 3.035 N/A ILE 237.A N GLY 182.A O no hydrogen 2.849 N/A LYS 238.A NZ.A SER 244.A OG no hydrogen 2.926 N/A LYS 238.A NZ.B SER 244.A OG no hydrogen 3.105 N/A VAL 239.A N ALA 184.A O no hydrogen 2.857 N/A GLY 242.A N ASP 240.A OD1 no hydrogen 3.059 N/A LEU 243.A N ASP 240.A O no hydrogen 3.036 N/A SER 244.A N ASP 240.A OD2 no hydrogen 3.015 N/A SER 244.A OG ASP 240.A OD2 no hydrogen 2.723 N/A LEU 245.A N GLY 242.A O no hydrogen 2.877 N/A VAL 246.A N LEU 243.A O no hydrogen 3.242 N/A HIS 247.A ND1 ALA 248.A OXT no hydrogen 2.633 N/A