Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jw3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH LEU 201.A O no hydrogen 2.681 N/A MET 5.A N TYR 1.A O no hydrogen 2.816 N/A MET 5.A SD TYR 1.A OH no hydrogen 3.532 N/A MET 5.A SD LEU 201.A O no hydrogen 4.031 N/A GLU 6.A N PHE 2.A O no hydrogen 3.029 N/A LYS 7.A N GLN 3.A O no hydrogen 3.007 N/A PHE 8.A N GLY 4.A O no hydrogen 2.957 N/A TYR 9.A N MET 5.A O no hydrogen 2.867 N/A ASN 10.A N GLU 6.A O no hydrogen 3.069 N/A GLN 11.A N LYS 7.A O no hydrogen 3.145 N/A PHE 12.A N PHE 8.A O no hydrogen 3.265 N/A PHE 12.A N TYR 9.A O no hydrogen 3.312 N/A GLN 13.A N TYR 9.A O no hydrogen 2.901 N/A SER 14.A OG PHE 12.A O no hydrogen 3.143 N/A TYR 15.A OH TYR 51.A O no hydrogen 2.710 N/A HIS 20.A N SER 18.A OG no hydrogen 2.865 N/A THR 23.A OG1 ASN 47.A OD1 no hydrogen 3.512 N/A ASN 27.A N THR 23.A O no hydrogen 2.858 N/A ASN 27.A ND2 SER 43.A OG no hydrogen 3.069 N/A THR 28.A N SER 24.A O no hydrogen 2.969 N/A THR 28.A OG1 SER 24.A O no hydrogen 3.248 N/A LYS 29.A N LEU 25.A O no hydrogen 3.106 N/A THR 30.A N PHE 26.A O no hydrogen 3.011 N/A THR 30.A OG1 PHE 26.A O no hydrogen 3.073 N/A THR 30.A OG1 ASN 66.A OD1 no hydrogen 2.691 N/A LYS 31.A N ASN 27.A O no hydrogen 2.943 N/A LYS 31.A NZ TYR 41.A O no hydrogen 2.851 N/A ASN 32.A N THR 28.A O no hydrogen 2.849 N/A LEU 33.A N LYS 29.A O no hydrogen 3.080 N/A ALA 34.A N THR 30.A O no hydrogen 2.853 N/A GLN 35.A N LYS 31.A O no hydrogen 2.828 N/A LYS 36.A N ASN 32.A O no hydrogen 3.032 N/A LYS 36.A NZ ASP 115.A OD2 no hydrogen 2.809 N/A TYR 37.A N ALA 34.A O no hydrogen 2.988 N/A TYR 37.A OH ASP 115.A OD2 no hydrogen 2.543 N/A GLY 38.A N GLN 35.A O no hydrogen 2.974 N/A LEU 39.A N ALA 34.A O no hydrogen 2.883 N/A TYR 41.A OH ASN 65.A OD1 no hydrogen 2.864 N/A LEU 45.A N PRO 42.A O no hydrogen 3.059 N/A SER 46.A N SER 43.A O no hydrogen 2.978 N/A SER 46.A OG ASN 27.A OD1 no hydrogen 2.570 N/A ASN 47.A N ASP 44.A O no hydrogen 3.064 N/A LEU 48.A N LEU 45.A O no hydrogen 3.087 N/A THR 49.A OG1 ASN 65.A OD1 no hydrogen 2.750 N/A THR 49.A OG1 HIS 68.A ND1 no hydrogen 3.262 N/A GLY 50.A N SER 46.A O no hydrogen 3.133 N/A TYR 51.A N ASN 47.A O no hydrogen 2.946 N/A TYR 51.A OH LEU 19.A O no hydrogen 2.729 N/A VAL 52.A N LEU 48.A O no hydrogen 2.984 N/A TYR 53.A N THR 49.A O no hydrogen 3.128 N/A TYR 53.A OH HIS 68.A NE2 no hydrogen 2.761 N/A LEU 56.A N TYR 53.A O no hydrogen 3.105 N/A SER 57.A N ASP 177.A OD2 no hydrogen 2.803 N/A SER 57.A OG ASP 177.A OD1 no hydrogen 2.771 N/A SER 57.A OG ASP 177.A OD2 no hydrogen 3.548 N/A SER 59.A OG TYR 122.A OH no hydrogen 2.766 N/A ALA 60.A N SER 57.A OG no hydrogen 3.277 N/A LEU 61.A N SER 57.A O no hydrogen 2.857 N/A GLN 62.A N PRO 58.A O no hydrogen 2.999 N/A GLN 62.A NE2 PHE 26.A O no hydrogen 3.267 N/A GLN 62.A NE2 GLN 62.A O no hydrogen 3.201 N/A GLN 62.A NE2 ASN 66.A OD1 no hydrogen 3.372 N/A VAL 63.A N SER 59.A O no hydrogen 3.164 N/A SER 64.A N ALA 60.A O no hydrogen 2.927 N/A SER 64.A OG ALA 60.A O no hydrogen 2.872 N/A ASN 65.A N LEU 61.A O no hydrogen 2.859 N/A ASN 65.A ND2 PHE 26.A O no hydrogen 3.382 N/A ASN 65.A ND2 THR 30.A OG1 no hydrogen 3.037 N/A ASN 65.A ND2 SER 46.A OG no hydrogen 2.957 N/A ASN 66.A N GLN 62.A O no hydrogen 2.985 N/A ASN 66.A ND2 MET 118.A O no hydrogen 2.970 N/A TRP 67.A N VAL 63.A O no hydrogen 2.912 N/A TRP 67.A NE1 THR 169.A OG1 no hydrogen 2.853 N/A HIS 68.A N SER 64.A O no hydrogen 2.917 N/A HIS 68.A NE2 TYR 53.A OH no hydrogen 2.761 N/A ALA 69.A N ASN 65.A O no hydrogen 2.852 N/A PHE 70.A N ASN 66.A O no hydrogen 2.996 N/A LEU 71.A N TRP 67.A O no hydrogen 3.059 N/A TRP 72.A N HIS 68.A O no hydrogen 2.937 N/A PHE 73.A N ALA 69.A O no hydrogen 2.862 N/A LEU 74.A N PHE 70.A O no hydrogen 3.044 N/A ASP 75.A N LEU 71.A O no hydrogen 2.888 N/A ASP 76.A N TRP 72.A O no hydrogen 2.812 N/A LYS 77.A N PHE 73.A O no hydrogen 3.178 N/A ILE 78.A N LEU 74.A O no hydrogen 2.881 N/A ASP 79.A N ASP 75.A O no hydrogen 2.877 N/A ASP 80.A N LYS 77.A O no hydrogen 3.256 N/A ASP 82.A N ASP 80.A OD1 no hydrogen 2.928 N/A CYS 83.A N ASP 80.A O no hydrogen 3.115 N/A CYS 83.A SG PRO 84.A O no hydrogen 3.817 N/A LYS 88.A N PRO 84.A O no hydrogen 3.129 N/A LYS 88.A NZ ILE 78.A O no hydrogen 2.756 N/A LYS 88.A NZ ASP 80.A O no hydrogen 3.040 N/A GLU 89.A N LYS 85.A O no hydrogen 3.039 N/A ILE 90.A N VAL 86.A O no hydrogen 2.943 N/A ILE 91.A N GLU 87.A O no hydrogen 2.998 N/A LEU 92.A N LYS 88.A O no hydrogen 2.970 N/A ASN 93.A N GLU 89.A O no hydrogen 3.025 N/A ASN 93.A ND2 GLU 89.A O no hydrogen 2.782 N/A HIS 94.A N ILE 90.A O no hydrogen 2.871 N/A HIS 94.A NE2 THR 110.A OG1 no hydrogen 2.773 N/A ILE 95.A N ILE 91.A O no hydrogen 2.896 N/A ILE 96.A N LEU 92.A O no hydrogen 3.208 N/A GLU 97.A N ASN 93.A O no hydrogen 2.924 N/A TYR 98.A N HIS 94.A O no hydrogen 2.792 N/A TYR 98.A OH ASP 114.A OD1 no hydrogen 2.624 N/A LEU 99.A N ILE 95.A O no hydrogen 2.865 N/A SER 100.A N GLU 97.A O no hydrogen 3.179 N/A SER 100.A OG ILE 96.A O no hydrogen 2.748 N/A ASN 101.A N TYR 98.A O no hydrogen 3.174 N/A LYS 102.A N GLU 97.A O no hydrogen 2.985 N/A CYS 103.A SG HIS 94.A ND1 no hydrogen 3.758 N/A CYS 103.A SG LYS 104.A O no hydrogen 3.638 N/A SER 106.A N HIS 94.A NE2 no hydrogen 3.466 N/A THR 110.A OG1 HIS 94.A NE2 no hydrogen 2.773 N/A THR 110.A OG1 HIS 107.A O no hydrogen 3.136 N/A GLN 111.A N HIS 107.A O no hydrogen 2.898 N/A PHE 112.A N PRO 108.A O no hydrogen 2.925 N/A LEU 113.A N ILE 109.A O no hydrogen 3.200 N/A ASP 114.A N THR 110.A O no hydrogen 2.887 N/A ASP 114.A N GLN 111.A O no hydrogen 3.176 N/A ASP 115.A N PHE 112.A O no hydrogen 3.243 N/A GLU 117.A N ASP 115.A OD1 no hydrogen 2.857 N/A MET 118.A N ASP 115.A O no hydrogen 2.948 N/A GLN 121.A N GLN 121.A OE1 no hydrogen 2.840 N/A GLN 121.A NE2 SER 59.A OG no hydrogen 2.959 N/A TYR 122.A N TRP 119.A O no hydrogen 2.790 N/A TYR 122.A OH SER 59.A OG no hydrogen 2.766 N/A SER 125.A N TYR 122.A O no hydrogen 3.008 N/A SER 125.A OG TYR 122.A O no hydrogen 2.665 N/A ARG 128.A N SER 125.A OG no hydrogen 3.113 N/A ARG 128.A NE LYS 123.A O no hydrogen 2.752 N/A ARG 128.A NH1 GLU 132.A OE1 no hydrogen 3.052 N/A ARG 128.A NH2 LYS 123.A O no hydrogen 3.241 N/A GLU 130.A N LYS 126.A O no hydrogen 3.011 N/A CYS 131.A N CYS 127.A O no hydrogen 2.795 N/A CYS 131.A SG CYS 127.A O no hydrogen 3.396 N/A CYS 131.A SG THR 169.A O no hydrogen 3.351 N/A GLU 132.A N ARG 128.A O no hydrogen 3.160 N/A ARG 133.A N PHE 129.A O no hydrogen 2.905 N/A ARG 133.A NE GLU 130.A OE1 no hydrogen 2.826 N/A ARG 133.A NE GLU 130.A OE2 no hydrogen 3.417 N/A ARG 133.A NH2 GLU 130.A OE2 no hydrogen 2.725 N/A GLN 134.A N GLU 130.A O no hydrogen 2.873 N/A GLN 134.A NE2 GLU 130.A OE2 no hydrogen 3.083 N/A ALA 135.A N CYS 131.A O no hydrogen 2.865 N/A ILE 136.A N GLU 132.A O no hydrogen 3.056 N/A LEU 137.A N ARG 133.A O no hydrogen 3.286 N/A MET 138.A N GLN 134.A O no hydrogen 2.827 N/A ILE 139.A N ALA 135.A O no hydrogen 3.090 N/A GLN 140.A N ILE 136.A O no hydrogen 2.847 N/A LYS 141.A N LEU 137.A O no hydrogen 2.808 N/A MET 143.A N MET 138.A O no hydrogen 2.910 N/A ILE 144.A N ILE 139.A O no hydrogen 2.873 N/A LYS 146.A N GLY 142.A O no hydrogen 3.184 N/A LYS 146.A NZ ASP 79.A OD2 no hydrogen 3.271 N/A LYS 146.A NZ ASP 164.A OD2 no hydrogen 3.028 N/A TRP 147.A N MET 143.A O no hydrogen 3.121 N/A ASP 148.A N PRO 145.A O no hydrogen 3.340 N/A LYS 149.A N LYS 146.A O no hydrogen 3.192 N/A LYS 149.A NZ ASP 151.A O no hydrogen 2.858 N/A LYS 149.A NZ GLU 156.A OE1 no hydrogen 3.268 N/A LYS 149.A NZ GLU 156.A OE2 no hydrogen 2.991 N/A THR 153.A N GLU 156.A OE1 no hydrogen 3.012 N/A VAL 154.A N GLU 224.A OE1 no hydrogen 2.859 N/A GLU 156.A N THR 153.A OG1 no hydrogen 2.944 N/A TYR 157.A N THR 153.A O no hydrogen 2.982 N/A TYR 157.A OH ASP 200.A OD2 no hydrogen 2.569 N/A GLU 158.A N VAL 154.A O no hydrogen 2.891 N/A LYS 159.A N HIS 155.A O no hydrogen 3.076 N/A ILE 160.A N GLU 156.A O no hydrogen 3.057 N/A ARG 161.A N TYR 157.A O no hydrogen 2.734 N/A ARG 161.A NE TYR 157.A OH no hydrogen 2.923 N/A ARG 161.A NH2 ASP 200.A OD1 no hydrogen 2.829 N/A PHE 162.A N GLU 158.A O no hydrogen 3.054 N/A ASP 164.A N ILE 160.A O no hydrogen 2.749 N/A SER 165.A N ARG 161.A O no hydrogen 2.880 N/A SER 165.A OG ARG 161.A O no hydrogen 3.156 N/A SER 165.A OG PHE 162.A O no hydrogen 3.298 N/A GLY 166.A N TYR 163.A O no hydrogen 3.128 N/A CYS 167.A N SER 165.A OG no hydrogen 3.077 N/A CYS 167.A SG SER 165.A OG no hydrogen 3.460 N/A THR 169.A N GLY 166.A O no hydrogen 2.912 N/A THR 169.A OG1 GLY 166.A O no hydrogen 2.733 N/A VAL 170.A N CYS 167.A O no hydrogen 3.077 N/A TRP 171.A NE1 GLU 168.A OE2 no hydrogen 2.880 N/A LEU 173.A N VAL 170.A O no hydrogen 2.959 N/A MET 174.A N TRP 171.A O no hydrogen 3.105 N/A PHE 175.A N PRO 172.A O no hydrogen 2.996 N/A LEU 176.A N LEU 173.A O no hydrogen 3.129 N/A ASP 178.A N PHE 175.A O no hydrogen 2.881 N/A GLY 179.A N PHE 175.A O no hydrogen 3.066 N/A GLN 183.A N THR 254.A OG1 no hydrogen 2.952 N/A TYR 184.A OH GLU 168.A O no hydrogen 2.979 N/A GLY 185.A N THR 188.A OG1 no hydrogen 3.016 N/A THR 188.A OG1 GLY 185.A O no hydrogen 3.062 N/A LYS 189.A N GLY 185.A O no hydrogen 3.034 N/A PHE 190.A N VAL 186.A O no hydrogen 2.834 N/A GLY 191.A N TYR 187.A O no hydrogen 2.933 N/A ASN 192.A N THR 188.A O no hydrogen 2.906 N/A ASN 192.A ND2 PHE 162.A O no hydrogen 3.013 N/A ASN 192.A ND2 GLU 168.A OE2 no hydrogen 2.893 N/A THR 193.A N LYS 189.A O no hydrogen 2.917 N/A THR 193.A OG1 LYS 189.A O no hydrogen 3.268 N/A ILE 194.A N PHE 190.A O no hydrogen 2.787 N/A VAL 195.A N GLY 191.A O no hydrogen 2.894 N/A CYS 196.A N ASN 192.A O no hydrogen 2.928 N/A CYS 196.A SG ASN 192.A O no hydrogen 3.283 N/A CYS 196.A SG ASN 192.A OD1 no hydrogen 3.458 N/A ARG 197.A N THR 193.A O no hydrogen 2.822 N/A ARG 197.A NE GLU 239.A OE1 no hydrogen 2.882 N/A ARG 197.A NH2 GLU 239.A OE1 no hydrogen 3.321 N/A ARG 197.A NH2 GLU 239.A OE2 no hydrogen 2.915 N/A VAL 198.A N ILE 194.A O no hydrogen 3.037 N/A ASN 199.A N VAL 195.A O no hydrogen 2.845 N/A ASP 200.A N CYS 196.A O no hydrogen 2.805 N/A LEU 201.A N ARG 197.A O no hydrogen 2.871 N/A TYR 202.A N VAL 198.A O no hydrogen 2.940 N/A SER 203.A N.A ASN 199.A O no hydrogen 2.933 N/A SER 203.A N.B ASN 199.A O no hydrogen 2.935 N/A SER 203.A OG.A ASN 199.A O no hydrogen 3.007 N/A SER 203.A OG.B ASN 199.A O no hydrogen 2.951 N/A SER 203.A OG.B ASP 200.A O no hydrogen 3.423 N/A SER 203.A OG.B ASP 207.A OD2 no hydrogen 2.975 N/A TYR 204.A N LEU 201.A O no hydrogen 3.274 N/A ASP 207.A N SER 203.A O.A no hydrogen 2.758 N/A ASP 207.A N SER 203.A O.B no hydrogen 2.760 N/A VAL 208.A N TYR 204.A O no hydrogen 2.841 N/A TYR 209.A N ALA 205.A O no hydrogen 2.924 N/A ARG 210.A N LYS 206.A O no hydrogen 3.247 N/A ASP 211.A N LYS 206.A O no hydrogen 2.755 N/A SER 213.A N ASP 207.A O no hydrogen 2.748 N/A TYR 215.A N SER 213.A OG no hydrogen 3.195 N/A TYR 215.A OH ASP 164.A OD2 no hydrogen 2.918 N/A ASN 216.A ND2 ASP 200.A O no hydrogen 2.911 N/A ASN 216.A ND2 ASP 207.A OD2 no hydrogen 2.948 N/A TYR 217.A N ASP 200.A OD2 no hydrogen 2.902 N/A PHE 218.A N ASN 216.A OD1 no hydrogen 2.946 N/A TYR 220.A N ASN 216.A O no hydrogen 3.207 N/A TYR 221.A N TYR 217.A O no hydrogen 2.838 N/A MET 222.A N PHE 218.A O no hydrogen 3.033 N/A GLN 223.A N VAL 219.A O no hydrogen 3.051 N/A GLU 224.A N TYR 220.A O no hydrogen 2.932 N/A ASN 225.A N TYR 221.A O no hydrogen 2.918 N/A ASN 225.A ND2 TYR 221.A O no hydrogen 3.201 N/A CYS 227.A SG HIS 228.A O no hydrogen 4.018 N/A VAL 232.A N HIS 228.A O no hydrogen 3.266 N/A ILE 233.A N LEU 229.A O no hydrogen 2.946 N/A ASN 234.A N ASP 230.A O no hydrogen 3.049 N/A ILE 235.A N GLU 231.A O no hydrogen 2.906 N/A VAL 236.A N VAL 232.A O no hydrogen 2.781 N/A THR 237.A N ILE 233.A O no hydrogen 2.836 N/A THR 237.A OG1 ILE 233.A O no hydrogen 2.670 N/A GLU 238.A N ASN 234.A O no hydrogen 3.058 N/A GLU 239.A N ILE 235.A O no hydrogen 2.983 N/A VAL 240.A N VAL 236.A O no hydrogen 2.773 N/A LYS 241.A N THR 237.A O no hydrogen 2.876 N/A LYS 241.A NZ GLU 238.A OE1 no hydrogen 2.984 N/A ASN 242.A N GLU 238.A O no hydrogen 3.076 N/A ASN 242.A ND2 GLU 238.A O no hydrogen 2.856 N/A ASN 242.A ND2 GLU 238.A OE2 no hydrogen 3.066 N/A LYS 243.A N GLU 239.A O no hydrogen 2.956 N/A LYS 243.A NZ GLU 239.A OE2 no hydrogen 2.693 N/A TRP 244.A N VAL 240.A O no hydrogen 2.770 N/A TRP 244.A NE1 ASN 259.A OD1 no hydrogen 2.814 N/A HIS 245.A N LYS 241.A O no hydrogen 3.043 N/A MET 246.A N ASN 242.A O no hydrogen 3.080 N/A LEU 247.A N LYS 243.A O no hydrogen 2.960 N/A LYS 248.A N TRP 244.A O no hydrogen 2.886 N/A LYS 248.A NZ SER 14.A OG no hydrogen 3.363 N/A ASN 249.A N HIS 245.A O no hydrogen 2.837 N/A ASN 252.A ND2 GLN 183.A OE1 no hydrogen 2.753 N/A ALA 255.A N ASN 252.A OD1 no hydrogen 2.884 N/A GLU 256.A N ASN 252.A O no hydrogen 2.979 N/A ARG 257.A N ASN 253.A O no hydrogen 3.087 N/A ARG 257.A NH1 MET 174.A O no hydrogen 2.937 N/A ARG 257.A NH1 ASP 178.A OD2 no hydrogen 2.818 N/A ARG 257.A NH2 ASP 178.A OD2 no hydrogen 3.181 N/A VAL 258.A N THR 254.A O no hydrogen 2.815 N/A ASN 259.A N ALA 255.A O no hydrogen 2.854 N/A TYR 260.A N GLU 256.A O no hydrogen 3.174 N/A TRP 261.A N ARG 257.A O no hydrogen 2.991 N/A TRP 261.A NE1 TYR 53.A OH no hydrogen 2.946 N/A CYS 262.A N VAL 258.A O no hydrogen 2.876 N/A CYS 262.A SG GLY 191.A O no hydrogen 3.911 N/A CYS 262.A SG VAL 258.A O no hydrogen 3.440 N/A LEU 263.A N ASN 259.A O no hydrogen 2.875 N/A GLY 264.A N TYR 260.A O no hydrogen 2.869 N/A ASN 265.A N TRP 261.A O no hydrogen 2.846 N/A ASN 265.A ND2 ASN 199.A OD1 no hydrogen 2.864 N/A LEU 266.A N CYS 262.A O no hydrogen 3.117 N/A VAL 267.A N LEU 263.A O no hydrogen 3.094 N/A TRP 268.A N GLY 264.A O no hydrogen 2.966 N/A TRP 268.A NE1 ASP 44.A O no hydrogen 3.016 N/A HIS 269.A N ASN 265.A O no hydrogen 3.087 N/A HIS 269.A ND1 ASN 265.A O no hydrogen 2.822 N/A HIS 270.A N LEU 266.A O no hydrogen 2.971 N/A ALA 271.A N VAL 267.A O no hydrogen 3.020 N/A ALA 271.A N TRP 268.A O no hydrogen 3.234 N/A SER 272.A N HIS 269.A O no hydrogen 3.264 N/A ARG 274.A N SER 272.A OG no hydrogen 3.014 N/A ARG 274.A NE ASP 44.A OD2 no hydrogen 2.799 N/A ARG 274.A NH2 ASP 44.A OD1 no hydrogen 2.822 N/A ARG 274.A NH2 ASP 44.A OD2 no hydrogen 3.534 N/A