Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dqw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A N ASP 4.A OD1 no hydrogen 3.314 N/A GLU 7.A N ASP 4.A O no hydrogen 3.356 N/A ILE 8.A N VAL 74.A O no hydrogen 3.022 N/A ARG 10.A NH2 GLU 77.A O no hydrogen 2.758 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.731 N/A SER 12.A N PRO 9.A O no hydrogen 2.877 N/A SER 12.A OG PRO 9.A O no hydrogen 2.695 N/A LEU 13.A N ARG 10.A O no hydrogen 2.962 N/A ARG 14.A N THR 31.A O no hydrogen 2.931 N/A GLU 16.A N MET 29.A O no hydrogen 2.925 N/A VAL 17.A N MET 29.A O no hydrogen 3.129 N/A LYS 18.A NZ GLN 21.A OE1 no hydrogen 2.950 N/A LYS 18.A NZ GLU 26.A OE2 no hydrogen 2.948 N/A LEU 19.A N VAL 27.A O no hydrogen 2.765 N/A GLY 20.A N VAL 27.A O no hydrogen 3.180 N/A GLY 22.A N GLY 25.A O no hydrogen 2.844 N/A GLU 26.A N THR 42.A OG1 no hydrogen 2.927 N/A VAL 27.A N GLY 20.A O no hydrogen 2.982 N/A TRP 28.A N ILE 40.A O no hydrogen 2.827 N/A TRP 28.A NE1 GLU 26.A OE1 no hydrogen 2.993 N/A MET 29.A N VAL 17.A O no hydrogen 2.709 N/A GLY 30.A N VAL 38.A O no hydrogen 2.914 N/A THR 31.A N ARG 14.A O no hydrogen 2.928 N/A THR 31.A OG1 GLU 16.A OE1 no hydrogen 2.578 N/A TRP 32.A N THR 36.A O no hydrogen 2.685 N/A ASN 33.A N SER 12.A O no hydrogen 2.806 N/A THR 35.A N TRP 32.A O no hydrogen 3.129 N/A THR 36.A N TRP 32.A O no hydrogen 2.935 N/A VAL 38.A N GLY 30.A O no hydrogen 3.017 N/A ALA 39.A N ILE 84.A O no hydrogen 2.876 N/A ILE 40.A N TRP 28.A O no hydrogen 2.725 N/A LYS 41.A N ILE 82.A O no hydrogen 2.927 N/A LYS 41.A NZ GLU 56.A OE2 no hydrogen 2.687 N/A THR 42.A N GLU 26.A O no hydrogen 2.740 N/A THR 42.A OG1 GLU 26.A O no hydrogen 3.415 N/A LEU 43.A N ILE 80.A O no hydrogen 3.256 N/A LYS 44.A N PHE 24.A O no hydrogen 2.795 N/A THR 47.A OG1 LYS 44.A O no hydrogen 2.728 N/A GLU 51.A N SER 49.A OG no hydrogen 3.234 N/A PHE 53.A N SER 49.A O no hydrogen 2.893 N/A LEU 54.A N PRO 50.A O no hydrogen 3.079 N/A GLN 55.A N ALA 52.A O no hydrogen 3.317 N/A GLN 58.A N LEU 54.A O no hydrogen 2.914 N/A VAL 59.A N GLN 55.A O no hydrogen 2.934 N/A MET 60.A N GLU 56.A O no hydrogen 3.242 N/A LYS 61.A N ALA 57.A O no hydrogen 2.893 N/A LYS 61.A NZ ASP 4.A OD2 no hydrogen 3.121 N/A LYS 61.A NZ GLN 58.A OE1 no hydrogen 2.837 N/A LYS 62.A N VAL 59.A O no hydrogen 2.998 N/A LEU 63.A N VAL 59.A O no hydrogen 3.046 N/A ARG 64.A N TYR 122.A OH no hydrogen 2.815 N/A LYS 67.A N HIS 65.A ND1 no hydrogen 2.971 N/A LYS 67.A NZ GLN 115.A OE1 no hydrogen 2.750 N/A LEU 68.A N HIS 65.A O no hydrogen 3.046 N/A VAL 69.A N VAL 148.A O no hydrogen 2.955 N/A GLN 70.A N GLU 85.A OE1 no hydrogen 2.941 N/A TYR 72.A N VAL 83.A O no hydrogen 2.757 N/A ALA 73.A N VAL 83.A O no hydrogen 3.176 N/A VAL 74.A N TRP 6.A O no hydrogen 2.973 N/A VAL 75.A N TYR 81.A O no hydrogen 2.946 N/A SER 76.A N GLU 7.A OE2 no hydrogen 2.627 N/A SER 76.A OG GLU 7.A OE1 no hydrogen 2.758 N/A TYR 81.A N VAL 75.A O no hydrogen 3.113 N/A ILE 82.A N LYS 41.A O no hydrogen 2.927 N/A VAL 83.A N ALA 73.A O no hydrogen 2.802 N/A ILE 84.A N ALA 39.A O no hydrogen 2.818 N/A GLU 85.A N GLN 70.A O no hydrogen 2.828 N/A SER 88.A OG GLU 142.A OE1 no hydrogen 2.889 N/A LYS 89.A N VAL 140.A O no hydrogen 2.806 N/A GLY 90.A N MET 87.A O no hydrogen 3.197 N/A LEU 92.A N ILE 138.A O no hydrogen 2.784 N/A LEU 93.A N ALA 135.A O no hydrogen 3.260 N/A PHE 95.A N SER 91.A O no hydrogen 2.899 N/A LEU 96.A N LEU 92.A O no hydrogen 2.818 N/A LYS 97.A N LEU 93.A O no hydrogen 3.231 N/A LYS 97.A N ASP 94.A O no hydrogen 3.225 N/A GLY 98.A N ASP 94.A O no hydrogen 2.956 N/A GLY 98.A N PHE 95.A O no hydrogen 3.311 N/A GLY 101.A N GLY 98.A O no hydrogen 3.184 N/A TYR 103.A N MET 100.A O no hydrogen 3.107 N/A TYR 103.A OH GLU 99.A OE2 no hydrogen 2.701 N/A LEU 104.A N GLY 101.A O no hydrogen 2.984 N/A ARG 105.A N GLN 108.A OE1 no hydrogen 3.232 N/A ARG 105.A NH1 LYS 102.A O no hydrogen 2.842 N/A ARG 105.A NH1 LEU 104.A O no hydrogen 2.981 N/A LEU 106.A N LEU 278.A O no hydrogen 2.909 N/A LEU 109.A N ARG 105.A O no hydrogen 3.087 N/A VAL 110.A N LEU 106.A O no hydrogen 2.750 N/A ASP 111.A N PRO 107.A O no hydrogen 3.035 N/A MET 112.A N GLN 108.A O no hydrogen 2.944 N/A ALA 113.A N LEU 109.A O no hydrogen 2.916 N/A ALA 114.A N VAL 110.A O no hydrogen 2.867 N/A GLN 115.A N ASP 111.A O no hydrogen 3.019 N/A GLN 115.A NE2 ASP 111.A O no hydrogen 3.622 N/A GLN 115.A NE2 ASP 111.A OD2 no hydrogen 2.944 N/A GLN 115.A NE2 LEU 144.A O no hydrogen 2.882 N/A ILE 116.A N MET 112.A O no hydrogen 3.081 N/A ALA 117.A N ALA 113.A O no hydrogen 2.783 N/A SER 118.A N ALA 114.A O no hydrogen 2.832 N/A GLY 119.A N GLN 115.A O no hydrogen 2.958 N/A MET 120.A N ILE 116.A O no hydrogen 2.891 N/A ALA 121.A N ALA 117.A O no hydrogen 2.750 N/A TYR 122.A N SER 118.A O no hydrogen 3.191 N/A VAL 123.A N GLY 119.A O no hydrogen 3.029 N/A GLU 124.A N MET 120.A O no hydrogen 2.708 N/A ARG 125.A N ALA 121.A O no hydrogen 2.867 N/A MET 126.A N TYR 122.A O no hydrogen 2.938 N/A ASN 127.A N GLU 124.A O no hydrogen 3.194 N/A TYR 128.A N VAL 123.A O no hydrogen 3.200 N/A VAL 129.A N ARG 155.A O no hydrogen 3.014 N/A HIS 130.A N ASP 189.A OD2 no hydrogen 2.638 N/A HIS 130.A NE2 ALA 149.A O no hydrogen 2.925 N/A ARG 131.A N ASP 189.A OD1 no hydrogen 2.955 N/A ARG 131.A NE LEU 153.A O no hydrogen 2.926 N/A ARG 131.A NH1 LEU 153.A O no hydrogen 3.061 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.009 N/A ALA 135.A N GLU 199.A OE2 no hydrogen 2.790 N/A ASN 137.A N ARG 134.A O no hydrogen 2.761 N/A ASN 137.A ND2 ALA 136.A O no hydrogen 3.266 N/A ILE 138.A N ALA 135.A O no hydrogen 3.234 N/A LEU 139.A N LYS 147.A O no hydrogen 2.939 N/A VAL 140.A N GLY 90.A O no hydrogen 2.781 N/A GLY 141.A N VAL 145.A O no hydrogen 2.759 N/A VAL 145.A N GLU 142.A O no hydrogen 3.188 N/A CYS 146.A N GLN 115.A OE1 no hydrogen 2.903 N/A CYS 146.A SG LEU 144.A O no hydrogen 3.761 N/A LYS 147.A N LEU 139.A O no hydrogen 2.976 N/A LYS 147.A NZ GLU 66.A O no hydrogen 2.974 N/A LYS 147.A NZ GLU 85.A OE2 no hydrogen 2.723 N/A VAL 148.A N LYS 67.A O no hydrogen 2.950 N/A ALA 149.A N ASN 137.A O no hydrogen 2.935 N/A ALA 154.A N PHE 151.A O no hydrogen 3.002 N/A ARG 155.A N VAL 129.A O no hydrogen 3.072 N/A ARG 155.A NH1 GLY 152.A O no hydrogen 3.065 N/A ARG 155.A NH1 ALA 154.A O no hydrogen 2.748 N/A ILE 157.A N ASN 127.A O no hydrogen 2.861 N/A GLU 161.A N GLU 158.A O no hydrogen 3.468 N/A THR 162.A OG1 GLU 161.A OE2 no hydrogen 2.619 N/A ALA 163.A N GLY 182.A O no hydrogen 3.015 N/A ALA 167.A N ARG 164.A O no hydrogen 3.236 N/A LYS 172.A NZ MET 211.A O no hydrogen 3.186 N/A TRP 173.A N PRO 170.A O no hydrogen 3.221 N/A TRP 173.A NE1 GLU 199.A OE1 no hydrogen 2.955 N/A THR 174.A N ILE 171.A O no hydrogen 3.269 N/A THR 174.A OG1 PRO 170.A O no hydrogen 2.802 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.950 N/A ALA 178.A N ALA 175.A O no hydrogen 2.955 N/A ALA 179.A N ALA 175.A O no hydrogen 2.950 N/A LEU 180.A N PRO 176.A O no hydrogen 2.880 N/A TYR 181.A N GLU 177.A O no hydrogen 3.177 N/A GLY 182.A N ALA 178.A O no hydrogen 3.036 N/A ARG 183.A N GLU 177.A O no hydrogen 3.175 N/A THR 185.A N SER 188.A OG no hydrogen 3.067 N/A LYS 187.A NZ ARG 251.A O no hydrogen 2.673 N/A SER 188.A N THR 185.A O no hydrogen 2.973 N/A SER 188.A N THR 185.A OG1 no hydrogen 3.325 N/A SER 188.A OG THR 185.A O no hydrogen 2.820 N/A ASP 189.A N THR 185.A O no hydrogen 3.357 N/A VAL 190.A N ILE 186.A O no hydrogen 2.957 N/A TRP 191.A N LYS 187.A O no hydrogen 3.114 N/A SER 192.A N SER 188.A O no hydrogen 3.125 N/A SER 192.A OG TRP 173.A O no hydrogen 2.668 N/A SER 192.A OG SER 188.A O no hydrogen 3.444 N/A PHE 193.A N ASP 189.A O no hydrogen 2.783 N/A GLY 194.A N VAL 190.A O no hydrogen 3.074 N/A ILE 195.A N TRP 191.A O no hydrogen 3.183 N/A LEU 196.A N SER 192.A O no hydrogen 2.878 N/A LEU 197.A N PHE 193.A O no hydrogen 2.909 N/A THR 198.A N GLY 194.A O no hydrogen 3.386 N/A THR 198.A OG1 ILE 195.A O no hydrogen 2.600 N/A GLU 199.A N ILE 195.A O no hydrogen 3.087 N/A LEU 200.A N LEU 196.A O no hydrogen 2.921 N/A THR 201.A N LEU 197.A O no hydrogen 2.991 N/A THR 201.A OG1 LEU 197.A O no hydrogen 2.919 N/A THR 201.A OG1 THR 198.A O no hydrogen 3.431 N/A THR 202.A N THR 198.A O no hydrogen 2.991 N/A THR 202.A OG1 THR 198.A O no hydrogen 2.641 N/A THR 202.A OG1 GLU 199.A O no hydrogen 3.516 N/A LYS 203.A N LEU 200.A O no hydrogen 3.049 N/A LYS 203.A NZ GLY 101.A O no hydrogen 3.063 N/A LYS 203.A NZ LYS 102.A O no hydrogen 3.202 N/A LYS 203.A NZ LEU 104.A O no hydrogen 2.839 N/A LYS 203.A NZ ASN 277.A O no hydrogen 2.978 N/A GLY 204.A N GLU 199.A O no hydrogen 2.799 N/A ARG 205.A N THR 202.A OG1 no hydrogen 3.146 N/A MET 211.A N TYR 208.A O no hydrogen 3.032 N/A VAL 212.A N GLU 215.A OE1 no hydrogen 3.090 N/A ARG 214.A NH1 ASP 218.A OD2 no hydrogen 3.286 N/A VAL 216.A N VAL 212.A O no hydrogen 2.967 N/A LEU 217.A N ASN 213.A O no hydrogen 3.074 N/A ASP 218.A N ARG 214.A O no hydrogen 2.933 N/A GLN 219.A N GLU 215.A O no hydrogen 2.738 N/A VAL 220.A N VAL 216.A O no hydrogen 2.913 N/A GLU 221.A N LEU 217.A O no hydrogen 3.262 N/A ARG 222.A N ASP 218.A O no hydrogen 3.199 N/A ARG 222.A NE ASP 218.A OD1 no hydrogen 2.987 N/A GLY 223.A N VAL 220.A O no hydrogen 2.886 N/A TYR 224.A N GLN 219.A O no hydrogen 2.868 N/A ARG 225.A NE TRP 244.A O no hydrogen 2.882 N/A ARG 225.A NH1 VAL 220.A O no hydrogen 3.000 N/A ARG 225.A NH1 TYR 224.A O no hydrogen 2.871 N/A ARG 225.A NH2 TRP 244.A O no hydrogen 2.874 N/A CYS 228.A SG PRO 229.A O no hydrogen 3.675 N/A CYS 228.A SG CYS 232.A O no hydrogen 2.979 N/A CYS 232.A N PRO 229.A O no hydrogen 3.060 N/A CYS 232.A SG PRO 233.A O no hydrogen 3.508 N/A SER 235.A OG TYR 264.A OH no hydrogen 2.583 N/A SER 235.A OG GLU 269.A OE2 no hydrogen 2.689 N/A LEU 236.A N PRO 233.A O no hydrogen 3.143 N/A HIS 237.A N PRO 233.A O no hydrogen 3.426 N/A HIS 237.A ND1 GLU 234.A OE2 no hydrogen 3.013 N/A HIS 237.A NE2 MET 226.A O no hydrogen 2.678 N/A ASP 238.A N GLU 234.A O no hydrogen 2.775 N/A LEU 239.A N SER 235.A O no hydrogen 3.254 N/A MET 240.A N LEU 236.A O no hydrogen 3.022 N/A CYS 241.A N HIS 237.A O no hydrogen 2.906 N/A CYS 241.A SG HIS 237.A O no hydrogen 3.547 N/A GLN 242.A N ASP 238.A O no hydrogen 3.040 N/A GLN 242.A NE2 ASP 238.A O no hydrogen 3.301 N/A CYS 243.A N LEU 239.A O no hydrogen 3.094 N/A CYS 243.A SG LEU 239.A O no hydrogen 3.484 N/A TRP 244.A N CYS 241.A O no hydrogen 3.046 N/A ARG 245.A N GLN 242.A O no hydrogen 3.348 N/A ARG 245.A NH1 GLU 250.A O no hydrogen 2.854 N/A GLU 249.A N ASP 247.A OD2 no hydrogen 3.059 N/A GLU 250.A N ASP 247.A O no hydrogen 2.984 N/A ARG 251.A N PRO 248.A O no hydrogen 2.947 N/A ARG 251.A NE LYS 187.A O no hydrogen 3.369 N/A ARG 251.A NH1 GLU 177.A OE1 no hydrogen 3.342 N/A ARG 251.A NH1 ARG 245.A O no hydrogen 2.862 N/A ARG 251.A NH2 GLU 177.A OE1 no hydrogen 3.518 N/A ARG 251.A NH2 GLU 177.A OE2 no hydrogen 2.743 N/A ARG 251.A NH2 LYS 187.A O no hydrogen 2.923 N/A PHE 254.A N GLU 124.A OE2 no hydrogen 2.876 N/A GLU 255.A N GLU 124.A OE1 no hydrogen 3.147 N/A TYR 256.A N THR 253.A OG1 no hydrogen 2.936 N/A LEU 257.A N THR 253.A O no hydrogen 3.031 N/A GLN 258.A N PHE 254.A O no hydrogen 2.916 N/A GLN 258.A NE2 GLU 262.A OE2 no hydrogen 2.885 N/A ALA 259.A N GLU 255.A O no hydrogen 3.257 N/A PHE 260.A N TYR 256.A O no hydrogen 2.882 N/A LEU 261.A N LEU 257.A O no hydrogen 2.998 N/A GLU 262.A N GLN 258.A O no hydrogen 2.922 N/A ASP 263.A N ALA 259.A O no hydrogen 3.071 N/A TYR 264.A N LEU 261.A O no hydrogen 3.411 N/A TYR 264.A OH SER 235.A OG no hydrogen 2.583 N/A THR 266.A N ASP 263.A O no hydrogen 2.993 N/A SER 267.A N ASP 263.A O no hydrogen 2.859 N/A THR 268.A N TYR 264.A O no hydrogen 2.957 N/A GLU 269.A N TYR 264.A O no hydrogen 2.836 N/A TYR 272.A N GLU 269.A O no hydrogen 3.385 N/A TYR 272.A OH LEU 278.A O no hydrogen 2.515 N/A GLY 275.A N LEU 278.A OXT no hydrogen 2.659 N/A ASN 277.A N GLU 231.A OE2 no hydrogen 2.882 N/A ASN 277.A ND2 GLU 231.A OE1 no hydrogen 2.641 N/A LEU 278.A N GLU 231.A OE2 no hydrogen 3.180 N/A