Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qkr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N TYR 9.A O no hydrogen 3.131 N/A GLY 4.A N GLU 7.A O no hydrogen 2.859 N/A LEU 5.A N ASP 56.A OD2 no hydrogen 2.940 N/A MET 6.A N ASP 56.A OD1 no hydrogen 2.898 N/A GLU 7.A N ASP 56.A OD1 no hydrogen 3.333 N/A LYS 8.A N GLU 7.A OE1 no hydrogen 3.131 N/A TYR 9.A N PHE 2.A O no hydrogen 3.164 N/A TYR 9.A OH ASP 56.A OD1 no hydrogen 2.747 N/A VAL 13.A N VAL 18.A O no hydrogen 3.033 N/A TYR 19.A N LEU 30.A O no hydrogen 2.868 N/A LYS 20.A N GLU 11.A O no hydrogen 2.743 N/A LYS 20.A NZ GLU 11.A OE2 no hydrogen 3.349 N/A ALA 21.A N VAL 28.A O no hydrogen 3.099 N/A ASP 23.A N ARG 26.A O no hydrogen 2.831 N/A SER 24.A N GLU 7.A OE1 no hydrogen 3.280 N/A SER 24.A N ASP 23.A OD1 no hydrogen 2.835 N/A VAL 28.A N ALA 21.A O no hydrogen 3.105 N/A ALA 29.A N PHE 67.A O no hydrogen 2.789 N/A LEU 30.A N TYR 19.A O no hydrogen 3.176 N/A LYS 31.A N LEU 65.A O no hydrogen 2.883 N/A ARG 32.A N VAL 17.A O no hydrogen 2.911 N/A ARG 38.A N SER 34.A O no hydrogen 3.313 N/A ARG 38.A NE ALA 134.A O no hydrogen 3.007 N/A ARG 38.A NH2 ALA 134.A O no hydrogen 3.034 N/A GLU 39.A N THR 35.A O no hydrogen 3.171 N/A ILE 40.A N ALA 36.A O no hydrogen 3.103 N/A SER 41.A N ILE 37.A O no hydrogen 3.113 N/A SER 41.A OG ILE 37.A O no hydrogen 3.365 N/A SER 41.A OG ARG 38.A O no hydrogen 2.708 N/A LEU 42.A N ARG 38.A O no hydrogen 2.944 N/A LEU 43.A N GLU 39.A O no hydrogen 2.975 N/A LYS 44.A N ILE 40.A O no hydrogen 2.871 N/A GLU 45.A N LEU 42.A O no hydrogen 2.952 N/A LEU 46.A N LEU 43.A O no hydrogen 3.028 N/A ASN 50.A N HIS 48.A ND1 no hydrogen 3.144 N/A ASN 50.A ND2 LEU 126.A O no hydrogen 2.830 N/A ILE 51.A N HIS 48.A O no hydrogen 2.974 N/A VAL 52.A N LEU 128.A O no hydrogen 3.051 N/A SER 53.A N GLU 68.A OE1 no hydrogen 2.816 N/A ILE 55.A N VAL 66.A O no hydrogen 2.930 N/A ASP 56.A N VAL 66.A O no hydrogen 3.466 N/A VAL 57.A N ASP 56.A OD2 no hydrogen 2.582 N/A ILE 58.A N THR 64.A O no hydrogen 2.865 N/A SER 60.A N CYS 62.A O no hydrogen 3.096 N/A CYS 62.A SG ILE 33.A O no hydrogen 3.247 N/A CYS 62.A SG LEU 63.A O no hydrogen 3.720 N/A THR 64.A N ILE 58.A O no hydrogen 2.846 N/A LEU 65.A N LYS 31.A O no hydrogen 2.854 N/A VAL 66.A N ASP 56.A O no hydrogen 2.943 N/A PHE 67.A N ALA 29.A O no hydrogen 2.755 N/A GLU 68.A N SER 53.A O no hydrogen 3.169 N/A GLU 71.A N GLU 71.A OE1 no hydrogen 2.682 N/A LYS 72.A N ILE 121.A O no hydrogen 3.169 N/A LEU 74.A N LEU 119.A O no hydrogen 2.872 N/A LYS 76.A N ASP 73.A O no hydrogen 2.983 N/A LYS 76.A N ASP 73.A OD1 no hydrogen 3.022 N/A VAL 77.A N ASP 73.A O no hydrogen 3.301 N/A LEU 78.A N LEU 74.A O no hydrogen 2.982 N/A ASP 79.A N LYS 76.A O no hydrogen 3.187 N/A GLU 80.A N LYS 76.A O no hydrogen 3.322 N/A GLU 80.A N VAL 77.A O no hydrogen 3.255 N/A ASN 81.A ND2 VAL 77.A O no hydrogen 2.929 N/A GLY 84.A N ASN 81.A O no hydrogen 2.988 N/A LEU 85.A N MET 176.A O no hydrogen 2.909 N/A GLN 89.A N GLN 86.A O no hydrogen 2.708 N/A ILE 90.A N GLN 86.A O no hydrogen 2.964 N/A LYS 91.A N ASP 87.A O no hydrogen 3.433 N/A ILE 92.A N SER 88.A O no hydrogen 3.325 N/A TYR 93.A N GLN 89.A O no hydrogen 2.755 N/A LEU 94.A N ILE 90.A O no hydrogen 2.798 N/A TYR 95.A N LYS 91.A O no hydrogen 2.797 N/A GLN 96.A N ILE 92.A O no hydrogen 3.114 N/A LEU 97.A N TYR 93.A O no hydrogen 2.895 N/A LEU 98.A N LEU 94.A O no hydrogen 2.978 N/A ARG 99.A N TYR 95.A O no hydrogen 2.927 N/A ARG 99.A NE ASN 50.A OD1 no hydrogen 3.237 N/A ARG 99.A NH1 GLN 273.A OE1 no hydrogen 2.860 N/A GLY 100.A N GLN 96.A O no hydrogen 3.027 N/A VAL 101.A N LEU 97.A O no hydrogen 3.069 N/A ALA 102.A N LEU 98.A O no hydrogen 2.777 N/A HIS 103.A N ARG 99.A O no hydrogen 3.166 N/A CYS 104.A N GLY 100.A O no hydrogen 3.067 N/A CYS 104.A SG GLY 100.A O no hydrogen 3.591 N/A HIS 105.A N VAL 101.A O no hydrogen 3.059 N/A HIS 105.A NE2 ASP 165.A OD2 no hydrogen 2.676 N/A GLN 106.A N ALA 102.A O no hydrogen 2.884 N/A HIS 107.A N HIS 103.A O no hydrogen 3.035 N/A ARG 108.A N HIS 105.A O no hydrogen 3.249 N/A ILE 109.A N CYS 104.A O no hydrogen 2.887 N/A LEU 110.A N ARG 135.A O no hydrogen 3.027 N/A HIS 111.A N ASP 165.A OD2 no hydrogen 3.215 N/A HIS 111.A NE2 ALA 129.A O no hydrogen 2.613 N/A ARG 112.A N ASP 165.A OD1 no hydrogen 2.759 N/A ARG 112.A NE LEU 133.A O no hydrogen 2.625 N/A ARG 112.A NH2 LEU 133.A O no hydrogen 2.731 N/A ASP 113.A N HIS 111.A ND1 no hydrogen 3.059 N/A LYS 115.A NZ ASP 113.A OD1 no hydrogen 3.553 N/A ASN 118.A N LYS 115.A O no hydrogen 2.880 N/A ASN 118.A ND2 ASP 113.A O no hydrogen 2.693 N/A LEU 119.A N PRO 116.A O no hydrogen 3.030 N/A LEU 120.A N LYS 127.A O no hydrogen 2.892 N/A ILE 121.A N LYS 72.A O no hydrogen 2.764 N/A ASN 122.A N ALA 125.A O no hydrogen 3.046 N/A ASP 124.A N ASN 122.A O no hydrogen 2.964 N/A LYS 127.A N LEU 120.A O no hydrogen 2.706 N/A LYS 127.A NZ PRO 49.A O no hydrogen 2.808 N/A LYS 127.A NZ GLU 68.A OE2 no hydrogen 3.558 N/A LEU 128.A N ASN 50.A O no hydrogen 2.765 N/A ALA 129.A N ASN 118.A O no hydrogen 2.962 N/A PHE 131.A N GLU 39.A OE1 no hydrogen 3.032 N/A ALA 134.A N PHE 131.A O no hydrogen 3.250 N/A ARG 135.A N LEU 110.A O no hydrogen 2.864 N/A ARG 135.A NH1 LYS 158.A O no hydrogen 2.806 N/A ARG 135.A NH2 LYS 158.A O no hydrogen 3.144 N/A PHE 137.A N ARG 108.A O no hydrogen 2.776 N/A ILE 139.A N ALA 136.A O no hydrogen 3.200 N/A TRP 147.A NE1 GLY 185.A O no hydrogen 2.943 N/A TYR 148.A OH GLU 175.A OE1 no hydrogen 2.709 N/A ARG 149.A N LEU 146.A O no hydrogen 3.385 N/A ARG 149.A NH1 ASP 113.A OD2 no hydrogen 3.146 N/A LEU 154.A N ALA 150.A O no hydrogen 3.044 N/A MET 155.A N ASP 152.A O no hydrogen 3.159 N/A GLY 156.A N VAL 153.A O no hydrogen 2.856 N/A SER 157.A N ASP 152.A O no hydrogen 2.822 N/A SER 161.A OG SER 163.A OG no hydrogen 2.914 N/A SER 163.A OG SER 161.A OG no hydrogen 2.914 N/A VAL 164.A N SER 161.A O no hydrogen 3.376 N/A ASP 165.A N THR 162.A O no hydrogen 3.133 N/A TRP 167.A N SER 163.A O no hydrogen 3.176 N/A SER 168.A OG TYR 148.A O no hydrogen 2.545 N/A ILE 169.A N ASP 165.A O no hydrogen 2.903 N/A GLY 170.A N ILE 166.A O no hydrogen 2.843 N/A CYS 171.A N TRP 167.A O no hydrogen 3.054 N/A CYS 171.A SG TRP 167.A O no hydrogen 3.229 N/A ILE 172.A N SER 168.A O no hydrogen 3.028 N/A PHE 173.A N ILE 169.A O no hydrogen 2.710 N/A ALA 174.A N GLY 170.A O no hydrogen 2.914 N/A GLU 175.A N CYS 171.A O no hydrogen 2.976 N/A MET 176.A N ILE 172.A O no hydrogen 2.890 N/A MET 176.A N PHE 173.A O no hydrogen 3.151 N/A ILE 177.A N ALA 174.A O no hydrogen 3.195 N/A THR 178.A N ALA 174.A O no hydrogen 3.183 N/A GLY 179.A N GLU 175.A O no hydrogen 2.822 N/A LYS 180.A N THR 178.A OG1 no hydrogen 2.820 N/A GLY 185.A N PHE 183.A O no hydrogen 2.854 N/A GLY 185.A N GLN 191.A OE1 no hydrogen 3.298 N/A VAL 186.A N ASP 190.A OD2 no hydrogen 3.306 N/A ASP 189.A N THR 187.A OG1 no hydrogen 2.957 N/A ASP 190.A N THR 187.A O no hydrogen 3.341 N/A GLN 191.A N ASP 188.A O no hydrogen 3.430 N/A GLN 191.A NE2 PHE 183.A O no hydrogen 3.156 N/A LYS 194.A N ASP 190.A O no hydrogen 2.686 N/A ILE 195.A N GLN 191.A O no hydrogen 2.898 N/A PHE 196.A N LEU 192.A O no hydrogen 2.894 N/A SER 197.A N PRO 193.A O no hydrogen 2.807 N/A SER 197.A OG LYS 194.A O no hydrogen 2.812 N/A ILE 198.A N ILE 195.A O no hydrogen 3.154 N/A LEU 199.A N ILE 195.A O no hydrogen 2.941 N/A THR 201.A N PHE 224.A O no hydrogen 3.130 N/A THR 201.A OG1 GLN 222.A O no hydrogen 2.648 N/A TRP 207.A N ASN 203.A O no hydrogen 2.986 N/A GLU 212.A N GLN 209.A O no hydrogen 3.263 N/A LEU 213.A N VAL 210.A O no hydrogen 2.721 N/A LEU 215.A N MET 155.A O no hydrogen 3.091 N/A TRP 216.A N LEU 213.A O no hydrogen 2.880 N/A PHE 224.A N THR 201.A OG1 no hydrogen 2.996 N/A LYS 226.A NZ LYS 227.A O no hydrogen 2.726 N/A LYS 227.A N ILE 198.A O no hydrogen 2.874 N/A SER 231.A N PRO 228.A O no hydrogen 2.979 N/A SER 231.A OG PRO 228.A O no hydrogen 2.910 N/A ILE 232.A N PRO 228.A O no hydrogen 3.454 N/A ILE 233.A N TRP 229.A O no hydrogen 3.031 N/A ILE 241.A N CYS 237.A O no hydrogen 3.083 N/A ASP 242.A N GLN 238.A O no hydrogen 2.843 N/A LEU 243.A N GLU 239.A O no hydrogen 3.086 N/A LEU 244.A N GLY 240.A O no hydrogen 2.801 N/A SER 245.A N ILE 241.A O no hydrogen 2.836 N/A SER 245.A OG ILE 241.A O no hydrogen 3.382 N/A SER 245.A OG ASP 242.A O no hydrogen 2.815 N/A ASN 246.A N ASP 242.A O no hydrogen 3.050 N/A ASN 246.A ND2 ASP 242.A O no hydrogen 2.723 N/A MET 247.A N LEU 243.A O no hydrogen 2.990 N/A MET 247.A N LEU 244.A O no hydrogen 2.982 N/A LEU 248.A N SER 245.A O no hydrogen 3.288 N/A CYS 249.A SG ASN 246.A O no hydrogen 3.849 N/A ASN 253.A N ASP 251.A OD1 no hydrogen 3.279 N/A LYS 254.A N ASP 251.A O no hydrogen 2.659 N/A LYS 254.A NZ ASP 251.A OD2 no hydrogen 3.069 N/A ARG 255.A N ASP 251.A O no hydrogen 3.118 N/A ARG 255.A NE CYS 249.A O no hydrogen 3.075 N/A ARG 255.A NH1 SER 163.A O no hydrogen 2.908 N/A ARG 255.A NH2 CYS 249.A O no hydrogen 2.906 N/A ILE 256.A N ASN 246.A O no hydrogen 3.124 N/A ASP 260.A N SER 257.A OG no hydrogen 3.110 N/A ALA 261.A N SER 257.A O no hydrogen 2.891 N/A MET 262.A N ALA 258.A O no hydrogen 3.071 N/A ASN 263.A N ASP 260.A O no hydrogen 2.936 N/A HIS 264.A N ALA 261.A O no hydrogen 3.174 N/A HIS 264.A NE2 ASP 242.A OD1 no hydrogen 2.670 N/A TYR 266.A N HIS 264.A ND1 no hydrogen 3.143 N/A PHE 267.A N HIS 264.A O no hydrogen 2.813 N/A LYS 268.A N PRO 265.A O no hydrogen 2.903 N/A ASP 269.A N ASP 269.A OD1 no hydrogen 2.478 N/A LEU 270.A N PHE 267.A O no hydrogen 3.383 N/A GLN 273.A N ASP 271.A OD1 no hydrogen 2.797 N/A GLN 273.A NE2 ASP 271.A O no hydrogen 3.650 N/A