Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wb6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 5.A OE2 no hydrogen 2.579 N/A GLU 5.A N SER 2.A OG no hydrogen 3.332 N/A PHE 6.A N SER 2.A O no hydrogen 2.880 N/A LEU 7.A N VAL 3.A O no hydrogen 2.839 N/A ALA 8.A N LYS 4.A O no hydrogen 2.980 N/A LYS 9.A N GLU 5.A O no hydrogen 2.985 N/A LYS 9.A NZ ASP 13.A OD1 no hydrogen 3.547 N/A LYS 9.A NZ ASP 13.A OD2 no hydrogen 3.248 N/A ALA 10.A N PHE 6.A O no hydrogen 2.852 N/A LYS 11.A N LEU 7.A O no hydrogen 2.821 N/A GLU 12.A N ALA 8.A O no hydrogen 3.212 N/A ASP 13.A N LYS 9.A O no hydrogen 3.175 N/A PHE 14.A N ALA 10.A O no hydrogen 3.087 N/A LEU 15.A N LYS 11.A O no hydrogen 3.037 N/A LYS 16.A N GLU 12.A O no hydrogen 3.401 N/A LYS 16.A NZ GLU 12.A OE2 no hydrogen 3.355 N/A LYS 17.A N ASP 13.A O no hydrogen 3.111 N/A TRP 18.A N PHE 14.A O no hydrogen 2.730 N/A GLU 19.A N LEU 15.A O no hydrogen 2.928 N/A GLU 19.A N LYS 16.A O no hydrogen 3.064 N/A SER 20.A N LYS 16.A O no hydrogen 2.884 N/A SER 20.A OG LYS 16.A O no hydrogen 3.547 N/A HIS 27.A N GLN 30.A OE1 no hydrogen 2.975 N/A ASP 29.A N HIS 27.A ND1 no hydrogen 2.884 N/A GLN 30.A N HIS 27.A O no hydrogen 2.880 N/A PHE 31.A N LEU 28.A O no hydrogen 3.046 N/A GLU 32.A N LYS 49.A O no hydrogen 2.644 N/A ILE 34.A N LEU 47.A O no hydrogen 2.824 N/A LYS 35.A NZ ASP 315.A OD1 no hydrogen 2.473 N/A THR 36.A N GLU 318.A OE2 no hydrogen 2.687 N/A THR 36.A OG1 GLU 318.A OE1 no hydrogen 2.883 N/A LEU 37.A N VAL 45.A O no hydrogen 2.670 N/A GLY 38.A N VAL 45.A O no hydrogen 3.285 N/A GLY 40.A N GLY 43.A O no hydrogen 3.000 N/A ARG 44.A N ILE 61.A O no hydrogen 3.082 N/A ARG 44.A NH2 THR 36.A OG1 no hydrogen 3.199 N/A ARG 44.A NH2 GLU 317.A O no hydrogen 2.981 N/A VAL 45.A N GLY 38.A O no hydrogen 2.873 N/A MET 46.A N MET 59.A O no hydrogen 2.793 N/A LEU 47.A N LYS 35.A O no hydrogen 2.764 N/A VAL 48.A N TYR 57.A O no hydrogen 2.902 N/A LYS 49.A N GLU 32.A O no hydrogen 2.773 N/A HIS 50.A N ASN 55.A O no hydrogen 2.904 N/A LYS 51.A N GLN 30.A O no hydrogen 2.942 N/A THR 53.A OG1 HIS 50.A ND1 no hydrogen 3.226 N/A GLY 54.A N HIS 50.A O no hydrogen 2.910 N/A ASN 55.A N THR 53.A OG1 no hydrogen 3.315 N/A ASN 55.A ND2 TYR 57.A OH no hydrogen 3.408 N/A TYR 57.A N VAL 48.A O no hydrogen 2.961 N/A ALA 58.A N MET 108.A O no hydrogen 2.903 N/A MET 59.A N MET 46.A O no hydrogen 2.770 N/A LYS 60.A N MET 106.A O no hydrogen 2.653 N/A LYS 60.A NZ GLU 79.A OE1 no hydrogen 2.561 N/A ILE 61.A N ARG 44.A O no hydrogen 2.817 N/A LEU 62.A N LEU 104.A O no hydrogen 2.952 N/A LYS 64.A N SER 102.A O no hydrogen 3.149 N/A LYS 64.A NZ ASP 100.A O no hydrogen 2.984 N/A LYS 64.A NZ ASN 101.A O no hydrogen 3.135 N/A LYS 64.A NZ LYS 328.A O no hydrogen 2.680 N/A LYS 66.A N ASP 63.A OD1 no hydrogen 3.061 N/A VAL 67.A N ASP 63.A O no hydrogen 2.759 N/A VAL 68.A N LYS 64.A O no hydrogen 2.877 N/A LYS 69.A N GLN 65.A O no hydrogen 2.847 N/A LEU 70.A N LYS 66.A O no hydrogen 2.758 N/A LYS 71.A N VAL 68.A O no hydrogen 3.081 N/A GLN 72.A N VAL 67.A O no hydrogen 2.757 N/A GLN 72.A NE2 LEU 70.A O no hydrogen 3.154 N/A HIS 75.A ND1 GLN 72.A OE1 no hydrogen 2.840 N/A THR 76.A N GLN 72.A O no hydrogen 2.746 N/A THR 76.A OG1 GLN 72.A O no hydrogen 2.658 N/A LEU 77.A N ILE 73.A O no hydrogen 3.019 N/A ASN 78.A N GLU 74.A O no hydrogen 2.981 N/A GLU 79.A N HIS 75.A O no hydrogen 2.838 N/A LYS 80.A N THR 76.A O no hydrogen 3.225 N/A LYS 80.A NZ PHE 336.A OXT no hydrogen 2.277 N/A ARG 81.A N LEU 77.A O no hydrogen 3.051 N/A ARG 81.A NH2 TRP 18.A O no hydrogen 3.411 N/A ILE 82.A N ASN 78.A O no hydrogen 2.811 N/A LEU 83.A N GLU 79.A O no hydrogen 3.035 N/A GLN 84.A N LYS 80.A O no hydrogen 3.018 N/A ALA 85.A N ILE 82.A O no hydrogen 3.031 N/A VAL 86.A N ILE 82.A O no hydrogen 2.915 N/A ASN 87.A N TYR 143.A OH no hydrogen 2.761 N/A LEU 91.A N PHE 88.A O no hydrogen 3.082 N/A VAL 92.A N VAL 169.A O no hydrogen 3.033 N/A GLU 95.A N VAL 107.A O no hydrogen 2.890 N/A PHE 96.A N VAL 107.A O no hydrogen 3.182 N/A SER 97.A N ASN 24.A O no hydrogen 2.975 N/A PHE 98.A N TYR 105.A O no hydrogen 3.173 N/A LYS 99.A NZ PHE 336.A O no hydrogen 3.184 N/A ASP 100.A N ASN 103.A O no hydrogen 3.070 N/A ASN 101.A ND2 SER 324.A O no hydrogen 3.062 N/A SER 102.A N ASP 100.A OD1 no hydrogen 3.130 N/A ASN 103.A N ASP 100.A OD1 no hydrogen 2.647 N/A ASN 103.A ND2 TYR 105.A OH no hydrogen 2.913 N/A ASN 103.A ND2 ARG 322.A O no hydrogen 2.987 N/A LEU 104.A N LEU 62.A O no hydrogen 2.854 N/A TYR 105.A N PHE 98.A O no hydrogen 2.900 N/A TYR 105.A OH ASP 100.A OD2 no hydrogen 2.746 N/A MET 106.A N LYS 60.A O no hydrogen 2.883 N/A VAL 107.A N PHE 96.A O no hydrogen 2.808 N/A MET 108.A N ALA 58.A O no hydrogen 2.748 N/A GLU 109.A N LYS 93.A O no hydrogen 3.087 N/A TYR 110.A OH ASP 309.A O no hydrogen 2.702 N/A MET 116.A N LEU 159.A O no hydrogen 2.803 N/A PHE 117.A N PRO 156.A O no hydrogen 3.302 N/A SER 118.A N GLU 115.A O no hydrogen 3.202 N/A SER 118.A OG GLU 115.A O no hydrogen 3.284 N/A HIS 119.A NE2 GLY 113.A O no hydrogen 2.751 N/A LEU 120.A N MET 116.A O no hydrogen 2.826 N/A ARG 121.A N PHE 117.A O no hydrogen 2.908 N/A ARG 121.A NH1 GLU 216.A OE2 no hydrogen 3.163 N/A ARG 121.A NH2 GLU 216.A OE2 no hydrogen 2.558 N/A ARG 122.A N SER 118.A O no hydrogen 3.165 N/A ARG 122.A NH1 HIS 119.A ND1 no hydrogen 3.535 N/A ARG 122.A NH2 HIS 119.A ND1 no hydrogen 2.806 N/A ILE 123.A N HIS 119.A O no hydrogen 2.876 N/A GLY 124.A N LEU 120.A O no hydrogen 2.876 N/A PHE 126.A N MET 217.A O no hydrogen 2.873 N/A HIS 129.A NE2 TYR 133.A OH no hydrogen 2.860 N/A ARG 131.A N GLU 127.A O no hydrogen 2.821 N/A PHE 132.A N PRO 128.A O no hydrogen 3.112 N/A TYR 133.A N HIS 129.A O no hydrogen 3.450 N/A TYR 133.A OH HIS 129.A NE2 no hydrogen 2.860 N/A ALA 134.A N ALA 130.A O no hydrogen 2.858 N/A ALA 135.A N ARG 131.A O no hydrogen 2.953 N/A GLN 136.A N TYR 133.A O no hydrogen 3.075 N/A GLN 136.A NE2 PHE 132.A O no hydrogen 3.055 N/A ILE 137.A N TYR 133.A O no hydrogen 3.310 N/A VAL 138.A N ALA 134.A O no hydrogen 3.018 N/A LEU 139.A N ALA 135.A O no hydrogen 3.049 N/A THR 140.A N GLN 136.A O no hydrogen 2.803 N/A THR 140.A OG1 GLN 136.A O no hydrogen 2.661 N/A PHE 141.A N ILE 137.A O no hydrogen 2.763 N/A GLU 142.A N VAL 138.A O no hydrogen 2.979 N/A TYR 143.A N LEU 139.A O no hydrogen 3.150 N/A LEU 144.A N THR 140.A O no hydrogen 3.017 N/A HIS 145.A N PHE 141.A O no hydrogen 2.692 N/A HIS 145.A NE2 ASP 206.A OD2 no hydrogen 2.719 N/A SER 146.A N GLU 142.A O no hydrogen 3.083 N/A SER 146.A OG GLU 142.A O no hydrogen 3.512 N/A SER 146.A OG TYR 143.A O no hydrogen 2.622 N/A LEU 147.A N LEU 144.A O no hydrogen 2.958 N/A ASP 148.A N HIS 145.A O no hydrogen 2.902 N/A LEU 149.A N LEU 144.A O no hydrogen 3.021 N/A ILE 150.A N LYS 176.A O no hydrogen 2.948 N/A TYR 151.A N ASP 206.A OD2 no hydrogen 3.050 N/A TYR 151.A OH THR 170.A O no hydrogen 2.585 N/A TYR 151.A OH ASP 171.A O no hydrogen 3.182 N/A ARG 152.A N ASP 206.A OD1 no hydrogen 2.742 N/A ARG 152.A NE PHE 174.A O no hydrogen 2.907 N/A ARG 152.A NH1 TYR 201.A OH no hydrogen 2.876 N/A ARG 152.A NH2 PHE 174.A O no hydrogen 2.988 N/A LYS 155.A NZ THR 187.A OG1 no hydrogen 2.578 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.489 N/A ASN 158.A N LYS 155.A O no hydrogen 2.822 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.680 N/A ASN 158.A ND2 ASP 153.A OD2 no hydrogen 3.078 N/A LEU 159.A N PRO 156.A O no hydrogen 3.194 N/A LEU 160.A N GLN 168.A O no hydrogen 2.975 N/A ILE 161.A N GLY 114.A O no hydrogen 3.030 N/A ASP 162.A N TYR 166.A O no hydrogen 2.855 N/A GLN 164.A N ASP 162.A OD1 no hydrogen 2.741 N/A GLY 165.A N ASP 162.A O no hydrogen 2.957 N/A TYR 166.A N ASP 162.A OD1 no hydrogen 2.817 N/A TYR 166.A OH VAL 296.A O no hydrogen 2.574 N/A ILE 167.A N GLN 136.A OE1 no hydrogen 2.704 N/A GLN 168.A N LEU 160.A O no hydrogen 2.718 N/A GLN 168.A NE2 PRO 89.A O no hydrogen 2.924 N/A VAL 169.A N PHE 90.A O no hydrogen 2.722 N/A THR 170.A N ASN 158.A O no hydrogen 3.090 N/A ASP 171.A N THR 170.A OG1 no hydrogen 2.604 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 3.154 N/A ALA 175.A N PHE 172.A O no hydrogen 2.767 N/A LYS 176.A N ILE 150.A O no hydrogen 3.058 N/A LYS 176.A NZ THR 182.A OG1 no hydrogen 2.768 N/A ARG 177.A NE LEU 147.A O no hydrogen 2.937 N/A ARG 177.A NH2 ASP 148.A OD2 no hydrogen 3.533 N/A VAL 178.A N ASP 148.A O no hydrogen 2.751 N/A THR 182.A N TYR 201.A O no hydrogen 3.058 N/A THR 187.A N ASP 153.A OD1 no hydrogen 3.143 N/A THR 187.A OG1 ASP 153.A OD1 no hydrogen 2.805 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.670 N/A TYR 190.A N THR 187.A O no hydrogen 2.904 N/A TYR 190.A OH GLU 216.A OE1 no hydrogen 2.801 N/A ARG 191.A N PRO 188.A O no hydrogen 3.054 N/A ARG 191.A NE GLY 186.A O no hydrogen 2.858 N/A ARG 191.A NH2 GLY 186.A O no hydrogen 2.757 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.892 N/A ILE 196.A N ALA 192.A O no hydrogen 3.196 N/A LEU 197.A N PRO 193.A O no hydrogen 2.818 N/A SER 198.A N ILE 195.A O no hydrogen 3.067 N/A LYS 199.A N GLU 194.A O no hydrogen 3.127 N/A TYR 201.A N THR 182.A O no hydrogen 3.128 N/A LYS 203.A NZ HIS 145.A O no hydrogen 3.358 N/A ALA 204.A N ASN 202.A OD1 no hydrogen 2.915 N/A VAL 205.A N ASN 202.A O no hydrogen 3.187 N/A ASP 206.A N LYS 203.A O no hydrogen 3.058 N/A TRP 207.A N ALA 204.A O no hydrogen 3.190 N/A TRP 208.A N ALA 204.A O no hydrogen 3.357 N/A ALA 209.A N VAL 205.A O no hydrogen 3.127 N/A LEU 210.A N ASP 206.A O no hydrogen 2.885 N/A GLY 211.A N TRP 207.A O no hydrogen 3.202 N/A VAL 212.A N TRP 208.A O no hydrogen 3.090 N/A LEU 213.A N ALA 209.A O no hydrogen 2.914 N/A ILE 214.A N LEU 210.A O no hydrogen 2.935 N/A TYR 215.A N GLY 211.A O no hydrogen 3.092 N/A TYR 215.A OH ARG 242.A O no hydrogen 2.504 N/A GLU 216.A N VAL 212.A O no hydrogen 2.967 N/A MET 217.A N LEU 213.A O no hydrogen 2.813 N/A ALA 218.A N ILE 214.A O no hydrogen 3.065 N/A ALA 219.A N TYR 215.A O no hydrogen 2.752 N/A GLY 220.A N GLU 216.A O no hydrogen 2.916 N/A GLN 228.A N GLN 231.A OE1 no hydrogen 2.831 N/A ILE 232.A N GLN 228.A O no hydrogen 3.333 N/A TYR 233.A N PRO 229.A O no hydrogen 3.150 N/A GLU 234.A N ILE 230.A O no hydrogen 3.240 N/A LYS 235.A N GLN 231.A O no hydrogen 3.254 N/A LYS 235.A NZ PHE 225.A O no hydrogen 2.709 N/A ILE 236.A N ILE 232.A O no hydrogen 2.976 N/A VAL 237.A N TYR 233.A O no hydrogen 2.914 N/A SER 238.A N GLU 234.A O no hydrogen 2.845 N/A SER 238.A OG LYS 235.A O no hydrogen 2.782 N/A GLY 239.A N LYS 235.A O no hydrogen 3.364 N/A LYS 240.A N SER 238.A OG no hydrogen 3.248 N/A PHE 247.A N PRO 244.A O no hydrogen 3.239 N/A SER 248.A N GLU 127.A OE2 no hydrogen 2.707 N/A SER 248.A OG GLU 127.A OE1 no hydrogen 2.435 N/A SER 248.A OG GLU 127.A OE2 no hydrogen 3.439 N/A LEU 251.A N SER 248.A OG no hydrogen 3.338 N/A LYS 252.A N SER 248.A O no hydrogen 3.092 N/A ASP 253.A N SER 249.A O no hydrogen 3.156 N/A LEU 254.A N ASP 250.A O no hydrogen 2.911 N/A LEU 255.A N LEU 251.A O no hydrogen 3.050 N/A ARG 256.A N LYS 252.A O no hydrogen 2.979 N/A ASN 257.A N ASP 253.A O no hydrogen 3.227 N/A ASN 257.A N LEU 254.A O no hydrogen 2.875 N/A LEU 258.A N LEU 254.A O no hydrogen 3.002 N/A LEU 258.A N LEU 255.A O no hydrogen 3.165 N/A LEU 259.A N LEU 255.A O no hydrogen 2.771 N/A ASP 262.A N GLN 260.A OE1 no hydrogen 3.292 N/A THR 264.A N ASP 262.A OD1 no hydrogen 3.372 N/A THR 264.A OG1 ASP 262.A OD1 no hydrogen 3.003 N/A THR 264.A OG1 ASP 262.A OD2 no hydrogen 2.430 N/A LYS 265.A N ASP 262.A O no hydrogen 2.772 N/A ARG 266.A N ASP 262.A O no hydrogen 3.241 N/A ARG 266.A N LEU 263.A O no hydrogen 3.324 N/A ARG 266.A NE GLN 260.A O no hydrogen 2.853 N/A ARG 266.A NH1 GLU 194.A OE1 no hydrogen 3.411 N/A ARG 266.A NH1 GLU 194.A OE2 no hydrogen 2.699 N/A ARG 266.A NH1 ALA 204.A O no hydrogen 3.159 N/A ARG 266.A NH2 GLU 194.A OE1 no hydrogen 2.748 N/A ARG 266.A NH2 GLN 260.A O no hydrogen 3.072 N/A PHE 267.A N ASN 257.A O no hydrogen 2.794 N/A ASN 269.A N ARG 266.A O no hydrogen 2.957 N/A ASN 269.A ND2 LEU 263.A O no hydrogen 3.200 N/A ASN 272.A ND2 ASP 276.A OD1 no hydrogen 3.426 N/A GLY 273.A N LEU 270.A O no hydrogen 2.761 N/A ASN 275.A N ASN 272.A O no hydrogen 3.312 N/A ASP 276.A N GLY 273.A O no hydrogen 3.294 N/A ILE 277.A N VAL 274.A O no hydrogen 2.962 N/A LYS 278.A N VAL 274.A O no hydrogen 3.104 N/A LYS 278.A NZ GLU 142.A OE1 no hydrogen 2.935 N/A LYS 278.A NZ GLU 142.A OE2 no hydrogen 3.109 N/A ASN 279.A N ASN 275.A O no hydrogen 2.967 N/A HIS 280.A N ILE 277.A O no hydrogen 3.139 N/A HIS 280.A NE2 ASP 253.A OD2 no hydrogen 2.531 N/A TRP 282.A N HIS 280.A ND1 no hydrogen 3.022 N/A TRP 282.A NE1 GLU 127.A OE1 no hydrogen 3.196 N/A PHE 283.A N HIS 280.A O no hydrogen 2.806 N/A ALA 284.A N LYS 281.A O no hydrogen 2.949 N/A THR 286.A N PHE 283.A O no hydrogen 3.133 N/A THR 286.A OG1 PHE 283.A O no hydrogen 3.316 N/A TRP 288.A NE1 LYS 278.A O no hydrogen 3.061 N/A ALA 290.A N ASP 287.A OD1 no hydrogen 3.074 N/A ILE 291.A N ASP 287.A O no hydrogen 3.010 N/A TYR 292.A N TRP 288.A O no hydrogen 3.375 N/A GLN 293.A N ILE 289.A O no hydrogen 2.896 N/A ARG 294.A N ILE 291.A O no hydrogen 2.950 N/A ARG 294.A NH1 ASP 162.A OD2 no hydrogen 3.435 N/A ARG 294.A NH2 ASP 162.A OD2 no hydrogen 2.735 N/A ARG 294.A NH2 GLN 164.A OE1 no hydrogen 3.285 N/A LYS 295.A N ALA 290.A O no hydrogen 2.929 N/A ASP 309.A N GLY 306.A O no hydrogen 3.482 N/A SER 311.A N ASP 309.A OD2 no hydrogen 3.123 N/A SER 311.A OG ASP 309.A OD1 no hydrogen 2.993 N/A SER 311.A OG ASP 309.A OD2 no hydrogen 2.771 N/A ASN 312.A ND2 PRO 112.A O no hydrogen 3.161 N/A ASN 312.A ND2 LYS 303.A O no hydrogen 3.144 N/A PHE 313.A N THR 310.A O no hydrogen 2.977 N/A SER 324.A N SER 102.A OG no hydrogen 2.791 N/A SER 324.A OG ASN 326.A O no hydrogen 3.518 N/A LYS 328.A N ASN 101.A O no hydrogen 2.898 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.481 N/A PHE 333.A N CYS 329.A O no hydrogen 3.370 N/A SER 334.A N LYS 331.A O no hydrogen 3.152 N/A SER 334.A OG GLU 335.A OE2 no hydrogen 2.186 N/A PHE 336.A N PHE 333.A O no hydrogen 3.062 N/A