Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qrk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 9.A N ASP 7.A OD1 no hydrogen 3.367 N/A MET 11.A N VAL 78.A O no hydrogen 3.060 N/A ARG 13.A NH1 PRO 84.A O no hydrogen 2.911 N/A ARG 13.A NH2 PRO 84.A O no hydrogen 3.159 N/A ASP 15.A N GLU 12.A O no hydrogen 2.892 N/A ILE 16.A N ARG 13.A O no hydrogen 3.167 N/A THR 17.A N VAL 34.A O no hydrogen 2.751 N/A LYS 19.A N GLU 32.A O no hydrogen 2.695 N/A LYS 21.A NZ GLU 29.A OE1 no hydrogen 2.862 N/A LEU 22.A N VAL 30.A O no hydrogen 2.714 N/A GLY 25.A N GLY 23.A O no hydrogen 2.617 N/A GLN 26.A N GLY 23.A O no hydrogen 3.197 N/A TYR 27.A OH ARG 141.A O no hydrogen 2.825 N/A GLY 28.A N GLY 25.A O no hydrogen 3.074 N/A VAL 30.A N GLY 28.A O no hydrogen 2.886 N/A TYR 31.A N VAL 44.A O no hydrogen 2.555 N/A TYR 31.A OH GLU 29.A OE2 no hydrogen 3.062 N/A GLU 32.A N HIS 20.A O no hydrogen 2.986 N/A GLY 33.A N VAL 42.A O no hydrogen 2.973 N/A VAL 34.A N THR 17.A O no hydrogen 2.760 N/A TRP 35.A N LEU 40.A O no hydrogen 2.728 N/A LYS 36.A N ASP 15.A O no hydrogen 3.213 N/A TYR 38.A N TRP 35.A O no hydrogen 2.960 N/A SER 39.A N LYS 36.A O no hydrogen 2.864 N/A VAL 42.A N GLY 33.A O no hydrogen 2.820 N/A ALA 43.A N THR 89.A O no hydrogen 2.956 N/A VAL 44.A N TYR 31.A O no hydrogen 2.829 N/A LYS 45.A N ILE 87.A O no hydrogen 2.817 N/A LYS 45.A NZ GLU 60.A OE1 no hydrogen 2.674 N/A THR 46.A N GLU 29.A O no hydrogen 3.064 N/A LEU 47.A N PHE 85.A O no hydrogen 3.161 N/A THR 51.A OG1 LYS 48.A O no hydrogen 2.765 N/A GLU 56.A N GLU 53.A O no hydrogen 3.224 N/A LEU 58.A N VAL 54.A O no hydrogen 3.234 N/A LYS 59.A N GLU 55.A O no hydrogen 2.944 N/A GLU 60.A N GLU 56.A O no hydrogen 2.819 N/A ALA 61.A N PHE 57.A O no hydrogen 3.078 N/A ALA 62.A N LEU 58.A O no hydrogen 3.150 N/A VAL 63.A N LYS 59.A O no hydrogen 2.874 N/A MET 64.A N GLU 60.A O no hydrogen 3.042 N/A LYS 65.A N ALA 61.A O no hydrogen 3.248 N/A GLU 66.A N VAL 63.A O no hydrogen 3.101 N/A ILE 67.A N MET 64.A O no hydrogen 3.202 N/A LYS 68.A N TYR 127.A OH no hydrogen 3.004 N/A LYS 68.A NZ GLN 74.A OE1 no hydrogen 2.437 N/A ASN 71.A N HIS 69.A ND1 no hydrogen 2.948 N/A ASN 71.A ND2 VAL 151.A O no hydrogen 2.990 N/A LEU 72.A N HIS 69.A O no hydrogen 3.142 N/A VAL 73.A N VAL 153.A O no hydrogen 3.077 N/A LEU 76.A N ILE 88.A O no hydrogen 2.774 N/A VAL 78.A N TRP 9.A O no hydrogen 2.786 N/A CYS 79.A N TYR 86.A O no hydrogen 2.933 N/A CYS 79.A SG MET 11.A O no hydrogen 3.383 N/A THR 80.A N GLU 10.A OE2 no hydrogen 3.053 N/A THR 80.A OG1 GLU 10.A OE2 no hydrogen 3.114 N/A TYR 86.A N CYS 79.A O no hydrogen 2.892 N/A ILE 87.A N LYS 45.A O no hydrogen 2.883 N/A ILE 88.A N GLY 77.A O no hydrogen 3.095 N/A THR 89.A N ALA 43.A O no hydrogen 3.104 N/A THR 89.A OG1 ALA 43.A O no hydrogen 3.407 N/A PHE 91.A N THR 41.A O no hydrogen 3.443 N/A TYR 94.A N VAL 145.A O no hydrogen 3.045 N/A TYR 94.A OH GLU 147.A OE2 no hydrogen 3.292 N/A GLY 95.A N MET 92.A O no hydrogen 3.259 N/A LEU 97.A N CYS 143.A O no hydrogen 2.808 N/A LEU 98.A N ALA 140.A O no hydrogen 3.270 N/A TYR 100.A N ASN 96.A O no hydrogen 3.071 N/A LEU 101.A N LEU 97.A O no hydrogen 2.938 N/A ARG 102.A N LEU 98.A O no hydrogen 3.052 N/A ARG 102.A NE GLY 210.A O no hydrogen 2.562 N/A ARG 102.A NH2 GLY 210.A O no hydrogen 2.769 N/A GLU 103.A N ASP 99.A O no hydrogen 2.955 N/A CYS 104.A SG LEU 101.A O no hydrogen 3.304 N/A GLN 107.A N ASN 105.A OD1 no hydrogen 2.787 N/A VAL 109.A N ASN 105.A O no hydrogen 2.788 N/A ASN 110.A ND2 GLN 107.A O no hydrogen 3.312 N/A VAL 112.A N ASN 110.A OD1 no hydrogen 2.843 N/A VAL 113.A N ASN 110.A OD1 no hydrogen 3.265 N/A LEU 114.A N ASN 110.A O no hydrogen 3.010 N/A LEU 115.A N ALA 111.A O no hydrogen 3.053 N/A TYR 116.A N VAL 112.A O no hydrogen 2.752 N/A MET 117.A N VAL 113.A O no hydrogen 2.806 N/A ALA 118.A N LEU 114.A O no hydrogen 3.012 N/A THR 119.A N LEU 115.A O no hydrogen 3.053 N/A THR 119.A OG1 LEU 115.A O no hydrogen 2.835 N/A GLN 120.A N TYR 116.A O no hydrogen 3.085 N/A GLN 120.A NE2 TYR 116.A O no hydrogen 3.661 N/A GLN 120.A NE2 HIS 149.A O no hydrogen 2.566 N/A ILE 121.A N MET 117.A O no hydrogen 3.161 N/A SER 122.A N ALA 118.A O no hydrogen 2.950 N/A SER 122.A OG THR 119.A O no hydrogen 3.477 N/A SER 122.A OG HIS 264.A ND1 no hydrogen 3.051 N/A SER 123.A N THR 119.A O no hydrogen 3.103 N/A ALA 124.A N GLN 120.A O no hydrogen 3.054 N/A MET 125.A N ILE 121.A O no hydrogen 2.996 N/A GLU 126.A N SER 122.A O no hydrogen 2.909 N/A TYR 127.A N SER 123.A O no hydrogen 3.119 N/A LEU 128.A N ALA 124.A O no hydrogen 3.086 N/A GLU 129.A N MET 125.A O no hydrogen 2.821 N/A LYS 130.A N GLU 126.A O no hydrogen 3.036 N/A LYS 131.A N TYR 127.A O no hydrogen 3.019 N/A LYS 131.A NZ GLU 66.A O no hydrogen 3.057 N/A ASN 132.A N GLU 129.A O no hydrogen 2.623 N/A PHE 133.A N LEU 128.A O no hydrogen 2.831 N/A HIS 135.A N ASP 195.A OD2 no hydrogen 2.740 N/A HIS 135.A NE2 ALA 154.A O no hydrogen 2.781 N/A ARG 136.A N ASP 195.A OD1 no hydrogen 2.984 N/A ASP 137.A N HIS 135.A ND1 no hydrogen 3.128 N/A ALA 140.A N GLU 205.A OE2 no hydrogen 2.937 N/A ARG 141.A NE TYR 167.A OH no hydrogen 2.758 N/A ARG 141.A NH2 ASP 137.A OD1 no hydrogen 2.929 N/A ARG 141.A NH2 TYR 167.A OH no hydrogen 3.267 N/A ASN 142.A N ALA 139.A O no hydrogen 2.905 N/A ASN 142.A ND2 ASP 137.A O no hydrogen 3.101 N/A CYS 143.A N ALA 140.A O no hydrogen 3.160 N/A CYS 143.A SG ALA 139.A O no hydrogen 3.683 N/A LEU 144.A N LYS 152.A O no hydrogen 2.812 N/A VAL 145.A N GLY 95.A O no hydrogen 2.871 N/A GLY 146.A N LEU 150.A O no hydrogen 2.706 N/A LEU 150.A N GLU 147.A O no hydrogen 3.408 N/A VAL 151.A N GLN 120.A OE1 no hydrogen 2.805 N/A LYS 152.A N LEU 144.A O no hydrogen 2.924 N/A VAL 153.A N ASN 71.A O no hydrogen 2.866 N/A ALA 154.A N ASN 142.A O no hydrogen 2.970 N/A PHE 156.A N ASN 142.A OD1 no hydrogen 2.880 N/A GLY 157.A N ASP 155.A OD1 no hydrogen 2.844 N/A ARG 160.A N GLY 157.A O no hydrogen 3.361 N/A LEU 161.A N LEU 158.A O no hydrogen 3.088 N/A MET 162.A N LEU 158.A O no hydrogen 2.975 N/A TYR 167.A OH ASP 137.A OD1 no hydrogen 3.297 N/A TYR 167.A OH ASP 137.A OD2 no hydrogen 2.448 N/A THR 168.A N PHE 175.A O no hydrogen 2.892 N/A THR 168.A OG1 ASP 165.A O no hydrogen 3.179 N/A HIS 170.A N ALA 173.A O no hydrogen 2.753 N/A ALA 173.A N HIS 170.A O no hydrogen 3.261 N/A LYS 174.A NZ SER 159.A O no hydrogen 2.839 N/A PHE 175.A N THR 168.A O no hydrogen 2.786 N/A LYS 178.A NZ SER 212.A OG no hydrogen 2.795 N/A TRP 179.A N PRO 176.A O no hydrogen 2.943 N/A TRP 179.A NE1 GLU 205.A OE2 no hydrogen 2.963 N/A THR 180.A N ILE 177.A O no hydrogen 3.104 N/A THR 180.A OG1 PRO 176.A O no hydrogen 2.478 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.780 N/A SER 184.A N ALA 181.A O no hydrogen 2.914 N/A SER 184.A OG LYS 189.A O no hydrogen 3.028 N/A LEU 185.A N ALA 181.A O no hydrogen 3.026 N/A ALA 186.A N PRO 182.A O no hydrogen 2.919 N/A TYR 187.A N GLU 183.A O no hydrogen 2.982 N/A SER 191.A N SER 194.A OG no hydrogen 2.788 N/A LYS 193.A NZ PRO 254.A O no hydrogen 3.324 N/A LYS 193.A NZ ARG 257.A O no hydrogen 3.092 N/A SER 194.A N SER 191.A O no hydrogen 2.812 N/A SER 194.A N SER 191.A OG no hydrogen 2.956 N/A SER 194.A OG SER 191.A O no hydrogen 2.553 N/A ASP 195.A N SER 191.A O no hydrogen 3.101 N/A VAL 196.A N ILE 192.A O no hydrogen 2.929 N/A TRP 197.A N LYS 193.A O no hydrogen 3.150 N/A ALA 198.A N SER 194.A O no hydrogen 2.983 N/A PHE 199.A N ASP 195.A O no hydrogen 2.747 N/A GLY 200.A N VAL 196.A O no hydrogen 3.148 N/A GLY 200.A N TRP 197.A O no hydrogen 3.171 N/A VAL 201.A N TRP 197.A O no hydrogen 3.364 N/A LEU 202.A N ALA 198.A O no hydrogen 2.925 N/A LEU 203.A N PHE 199.A O no hydrogen 2.916 N/A TRP 204.A N GLY 200.A O no hydrogen 3.278 N/A GLU 205.A N VAL 201.A O no hydrogen 2.873 N/A ILE 206.A N LEU 202.A O no hydrogen 2.915 N/A ALA 207.A N LEU 203.A O no hydrogen 2.932 N/A THR 208.A N TRP 204.A O no hydrogen 3.072 N/A THR 208.A OG1 TRP 204.A O no hydrogen 2.975 N/A THR 208.A OG1 GLU 205.A O no hydrogen 3.240 N/A TYR 209.A N ILE 206.A O no hydrogen 3.088 N/A TYR 209.A OH VAL 109.A O no hydrogen 2.654 N/A GLY 210.A N GLU 205.A O no hydrogen 2.855 N/A MET 211.A N THR 208.A OG1 no hydrogen 3.283 N/A ILE 217.A N TYR 214.A O no hydrogen 3.460 N/A GLN 221.A N ASP 218.A O no hydrogen 2.557 N/A VAL 222.A N LEU 219.A O no hydrogen 3.311 N/A LEU 225.A N GLN 221.A O no hydrogen 3.187 N/A LEU 226.A N VAL 222.A O no hydrogen 2.882 N/A GLU 227.A N TYR 223.A O no hydrogen 2.967 N/A LYS 228.A N GLU 224.A O no hydrogen 3.082 N/A ASP 229.A N LEU 226.A O no hydrogen 2.950 N/A TYR 230.A N LEU 225.A O no hydrogen 2.973 N/A ARG 231.A NE TRP 250.A O no hydrogen 2.812 N/A ARG 231.A NH1 LEU 226.A O no hydrogen 2.848 N/A ARG 231.A NH1 TYR 230.A O no hydrogen 2.966 N/A ARG 231.A NH2 TRP 250.A O no hydrogen 2.837 N/A ARG 234.A NH1 CYS 238.A O no hydrogen 3.251 N/A CYS 238.A N PRO 235.A O no hydrogen 3.114 N/A CYS 238.A SG PRO 239.A O no hydrogen 3.832 N/A LYS 241.A NZ MET 270.A O no hydrogen 3.412 N/A VAL 242.A N PRO 239.A O no hydrogen 2.720 N/A TYR 243.A N PRO 239.A O no hydrogen 3.065 N/A TYR 243.A OH MET 232.A O no hydrogen 2.717 N/A GLU 244.A N GLU 240.A O no hydrogen 2.937 N/A LEU 245.A N LYS 241.A O no hydrogen 3.189 N/A MET 246.A N VAL 242.A O no hydrogen 3.038 N/A ARG 247.A N TYR 243.A O no hydrogen 3.015 N/A ARG 247.A NH2 TYR 243.A OH no hydrogen 3.117 N/A ALA 248.A N GLU 244.A O no hydrogen 2.953 N/A CYS 249.A N LEU 245.A O no hydrogen 2.962 N/A CYS 249.A SG LEU 245.A O no hydrogen 3.154 N/A GLN 251.A N ALA 248.A O no hydrogen 3.165 N/A GLN 251.A NE2 ARG 247.A O no hydrogen 3.570 N/A SER 255.A N ASN 253.A OD1 no hydrogen 2.961 N/A SER 255.A OG ASN 253.A OD1 no hydrogen 2.584 N/A ASP 256.A N ASN 253.A O no hydrogen 2.939 N/A ARG 257.A N PRO 254.A O no hydrogen 3.136 N/A ARG 257.A NE GLN 251.A O no hydrogen 2.678 N/A ARG 257.A NH1 GLU 183.A OE2 no hydrogen 2.781 N/A ARG 257.A NH1 LYS 193.A O no hydrogen 2.929 N/A ARG 257.A NH2 GLU 183.A OE1 no hydrogen 2.916 N/A ARG 257.A NH2 GLU 183.A OE2 no hydrogen 3.511 N/A ARG 257.A NH2 GLN 251.A O no hydrogen 3.151 N/A SER 259.A N GLU 262.A OE1 no hydrogen 3.132 N/A PHE 260.A N GLU 129.A OE2 no hydrogen 2.939 N/A ALA 261.A N GLU 129.A OE1 no hydrogen 2.933 N/A GLU 262.A N SER 259.A OG no hydrogen 2.996 N/A ILE 263.A N SER 259.A O no hydrogen 2.960 N/A HIS 264.A N PHE 260.A O no hydrogen 2.821 N/A HIS 264.A ND1 SER 122.A OG no hydrogen 3.051 N/A GLN 265.A N ALA 261.A O no hydrogen 3.048 N/A ALA 266.A N GLU 262.A O no hydrogen 2.974 N/A PHE 267.A N ILE 263.A O no hydrogen 3.147 N/A GLU 268.A N HIS 264.A O no hydrogen 3.069 N/A THR 269.A N ALA 266.A O no hydrogen 3.355 N/A