Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3un6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N LYS 31.A O no hydrogen 2.703 N/A LYS 5.A N ASP 52.A OD2 no hydrogen 2.723 N/A ILE 6.A N GLU 33.A O no hydrogen 2.849 N/A GLY 7.A N GLY 53.A O no hydrogen 2.919 N/A TYR 8.A N VAL 35.A O no hydrogen 3.036 N/A ILE 11.A N LEU 9.A O no hydrogen 2.891 N/A THR 12.A N GLU 152.A O no hydrogen 2.987 N/A THR 12.A OG1 THR 236.A OG1 no hydrogen 3.003 N/A HIS 13.A NE2 GLY 80.A O no hydrogen 3.225 N/A SER 14.A N ILE 11.A O no hydrogen 3.096 N/A SER 14.A OG LEU 9.A O no hydrogen 2.675 N/A SER 14.A OG ILE 11.A O no hydrogen 3.116 N/A ALA 15.A N THR 12.A O no hydrogen 3.234 N/A ASN 16.A ND2 TYR 203.A O no hydrogen 2.938 N/A LEU 17.A N SER 14.A O no hydrogen 3.093 N/A THR 18.A OG1 ASN 16.A O no hydrogen 2.746 N/A LYS 19.A N LEU 17.A O no hydrogen 3.011 N/A LYS 19.A NZ LEU 32.A O no hydrogen 2.609 N/A LEU 22.A N THR 18.A O no hydrogen 2.880 N/A SER 23.A N.A LYS 19.A O no hydrogen 3.164 N/A SER 23.A N.B LYS 19.A O no hydrogen 3.161 N/A SER 23.A OG.A LYS 19.A O no hydrogen 2.992 N/A SER 23.A OG.B LYS 20.A O no hydrogen 2.451 N/A GLN 24.A N LEU 21.A O no hydrogen 2.946 N/A TYR 25.A N LEU 22.A O no hydrogen 3.315 N/A TYR 25.A OH ASP 202.A OD1 no hydrogen 2.808 N/A TYR 30.A OH ASP 202.A OD2 no hydrogen 2.649 N/A LYS 31.A N GLN 2.A O no hydrogen 2.835 N/A GLU 33.A N ILE 4.A O no hydrogen 2.826 N/A VAL 35.A N ILE 6.A O no hydrogen 2.897 N/A PHE 37.A N TYR 8.A O no hydrogen 2.896 N/A ASN 39.A ND2 ASP 42.A OD2 no hydrogen 2.900 N/A ASP 42.A N ASN 39.A OD1 no hydrogen 2.943 N/A LEU 43.A N ASN 39.A O no hydrogen 3.465 N/A ALA 45.A N ASP 42.A O no hydrogen 3.168 N/A LEU 46.A N LEU 43.A O no hydrogen 2.982 N/A SER 48.A N ASP 44.A O no hydrogen 2.909 N/A SER 48.A OG ASP 44.A O no hydrogen 2.758 N/A SER 48.A OG ALA 45.A O no hydrogen 3.373 N/A GLY 49.A N LEU 46.A O no hydrogen 3.204 N/A ARG 50.A N ALA 45.A O no hydrogen 2.959 N/A ILE 51.A N ALA 45.A O no hydrogen 3.423 N/A ASP 52.A N LYS 5.A O no hydrogen 2.718 N/A GLY 53.A N LYS 5.A O no hydrogen 3.293 N/A ALA 54.A N VAL 183.A O no hydrogen 2.957 N/A SER 55.A N GLY 7.A O no hydrogen 2.930 N/A SER 55.A OG HIS 13.A O no hydrogen 3.395 N/A THR 56.A N VAL 181.A O no hydrogen 2.911 N/A ILE 58.A N CYS 179.A O no hydrogen 2.784 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.858 N/A ALA 61.A N LEU 57.A O no hydrogen 3.064 N/A LYS 62.A NZ GLN 65.A OE1 no hydrogen 2.968 N/A SER 63.A N LEU 60.A O no hydrogen 3.020 N/A SER 63.A OG ASN 47.A OD1 no hydrogen 3.311 N/A LYS 64.A N ALA 61.A O no hydrogen 2.844 N/A LYS 64.A NZ SER 68.A O no hydrogen 2.789 N/A LYS 64.A NZ ILE 70.A O no hydrogen 2.678 N/A LYS 66.A N LYS 62.A O no hydrogen 2.898 N/A GLY 67.A N LYS 64.A O no hydrogen 2.837 N/A SER 68.A N SER 63.A O no hydrogen 3.064 N/A ILE 70.A N SER 68.A OG no hydrogen 3.190 N/A LYS 71.A N LEU 184.A O no hydrogen 3.018 N/A LYS 71.A NZ ASP 268.A O no hydrogen 3.552 N/A ALA 72.A N PHE 269.A O no hydrogen 2.937 N/A VAL 73.A N LEU 182.A O no hydrogen 2.860 N/A LEU 75.A N LEU 241.A O no hydrogen 2.818 N/A GLY 76.A N CYS 180.A O no hydrogen 2.956 N/A HIS 78.A N SER 237.A O no hydrogen 2.848 N/A HIS 78.A ND1 ASP 176.A OD1 no hydrogen 2.773 N/A HIS 78.A NE2 ASP 240.A O no hydrogen 2.836 N/A GLY 80.A N TRP 235.A O no hydrogen 2.995 N/A VAL 82.A N VAL 150.A O no hydrogen 3.001 N/A ILE 83.A N LYS 168.A O no hydrogen 2.955 N/A GLN 85.A N THR 146.A O no hydrogen 3.134 N/A GLN 85.A NE2 ILE 145.A O no hydrogen 3.074 N/A ASN 90.A N HIS 88.A ND1.B no hydrogen 3.176 N/A GLU 91.A N HIS 88.A O.A no hydrogen 2.744 N/A GLU 91.A N HIS 88.A O.B no hydrogen 2.749 N/A ASN 93.A N TYR 99.A OH no hydrogen 2.905 N/A ASN 94.A ND2 LYS 122.A O no hydrogen 3.445 N/A ASN 95.A N ASN 93.A OD1 no hydrogen 2.912 N/A GLY 96.A N ASN 93.A OD1 no hydrogen 3.385 N/A TYR 99.A N HIS 127.A O no hydrogen 2.872 N/A TYR 99.A OH ASN 93.A O no hydrogen 3.298 N/A HIS 100.A N THR 146.A OG1 no hydrogen 2.999 N/A HIS 100.A ND1 HIS 131.A NE2 no hydrogen 2.668 N/A PHE 101.A N SER 129.A O.A no hydrogen 2.811 N/A PHE 101.A N SER 129.A O.B no hydrogen 2.808 N/A GLY 102.A N GLY 147.A O no hydrogen 2.948 N/A ILE 103.A N HIS 131.A O no hydrogen 2.948 N/A ARG 106.A N GLU 132.A OE1 no hydrogen 2.841 N/A ARG 106.A NH1 GLU 132.A OE1 no hydrogen 2.914 N/A TYR 107.A N HIS 105.A ND1 no hydrogen 3.095 N/A SER 108.A OG HIS 105.A O no hydrogen 2.739 N/A THR 109.A OG1 GLU 59.A OE1 no hydrogen 3.268 N/A THR 109.A OG1 GLU 59.A OE2 no hydrogen 2.660 N/A THR 109.A OG1 TYR 178.A O no hydrogen 2.551 N/A HIS 110.A NE2 ASN 81.A OD1 no hydrogen 2.754 N/A TYR 111.A N SER 108.A OG no hydrogen 3.218 N/A LEU 112.A N SER 108.A O no hydrogen 3.502 N/A LEU 113.A N THR 109.A O no hydrogen 2.752 N/A LEU 114.A N HIS 110.A O no hydrogen 3.014 N/A GLU 115.A N TYR 111.A O no hydrogen 2.997 N/A GLU 116.A N LEU 112.A O no hydrogen 2.945 N/A LEU 117.A N LEU 113.A O no hydrogen 2.871 N/A ARG 118.A N LEU 114.A O no hydrogen 2.812 N/A ARG 118.A NE GLU 115.A OE1 no hydrogen 3.350 N/A ARG 118.A NE GLU 115.A OE2 no hydrogen 3.144 N/A ARG 118.A NH1 ILE 123.A O no hydrogen 2.953 N/A ARG 118.A NH2 GLU 115.A OE1 no hydrogen 2.706 N/A LYS 119.A N GLU 115.A O no hydrogen 3.138 N/A GLN 120.A N GLU 116.A O no hydrogen 2.910 N/A GLN 120.A NE2 GLU 116.A OE2 no hydrogen 3.308 N/A GLN 120.A NE2 VAL 173.A O no hydrogen 3.240 N/A LEU 121.A N LEU 117.A O no hydrogen 2.954 N/A LYS 122.A N LYS 119.A O no hydrogen 2.902 N/A ILE 123.A N ARG 118.A O no hydrogen 2.913 N/A LYS 124.A N ASN 94.A OD1 no hydrogen 2.779 N/A HIS 127.A N LYS 124.A O no hydrogen 3.000 N/A HIS 127.A NE2 GLY 96.A O no hydrogen 2.760 N/A SER 129.A N.A TYR 99.A O no hydrogen 2.746 N/A SER 129.A N.B TYR 99.A O no hydrogen 2.740 N/A SER 129.A OG.B ASP 98.A OD1 no hydrogen 2.552 N/A SER 129.A OG.B ASP 98.A OD2 no hydrogen 2.922 N/A TYR 130.A OH GLU 115.A OE2 no hydrogen 2.430 N/A HIS 131.A N PHE 101.A O no hydrogen 2.769 N/A HIS 131.A NE2 HIS 100.A ND1 no hydrogen 2.668 N/A SER 133.A N GLU 136.A OE1 no hydrogen 3.515 N/A GLU 136.A N SER 133.A O no hydrogen 3.108 N/A ALA 139.A N GLU 136.A O no hydrogen 3.191 N/A SER 141.A N PRO 137.A O no hydrogen 2.923 N/A SER 141.A OG PRO 137.A O no hydrogen 3.418 N/A GLU 142.A N ALA 138.A O no hydrogen 2.996 N/A HIS 143.A N LEU 140.A O no hydrogen 2.868 N/A ARG 144.A N ALA 139.A O no hydrogen 2.849 N/A ARG 144.A NH2 GLU 142.A OE1 no hydrogen 3.029 N/A THR 146.A N HIS 100.A O no hydrogen 2.755 N/A THR 146.A OG1 HIS 100.A O no hydrogen 3.528 N/A GLY 147.A N HIS 100.A O no hydrogen 3.303 N/A TYR 148.A OH PHE 154.A O no hydrogen 2.709 N/A SER 149.A N GLY 102.A O no hydrogen 3.164 N/A SER 149.A OG VAL 82.A O no hydrogen 2.865 N/A VAL 150.A N VAL 82.A O no hydrogen 3.196 N/A GLU 152.A N GLY 80.A O no hydrogen 2.944 N/A PHE 154.A N ALA 151.A O no hydrogen 3.222 N/A GLY 155.A N GLU 152.A OE1 no hydrogen 2.885 N/A ALA 156.A N GLU 152.A OE1 no hydrogen 2.866 N/A LEU 157.A N PRO 153.A O no hydrogen 2.885 N/A GLY 158.A N PHE 154.A O no hydrogen 3.399 N/A GLU 159.A N GLY 155.A O no hydrogen 3.133 N/A LYS 160.A N ALA 156.A O no hydrogen 3.086 N/A LYS 160.A NZ SER 225.A OG no hydrogen 2.736 N/A LYS 160.A NZ ASP 227.A OD2 no hydrogen 2.780 N/A LEU 161.A N LEU 157.A O no hydrogen 2.587 N/A LYS 163.A N SER 141.A OG no hydrogen 3.418 N/A LYS 165.A N GLY 84.A O no hydrogen 2.756 N/A THR 166.A OG1 GLU 159.A OE2 no hydrogen 2.590 N/A LEU 167.A N ILE 83.A O no hydrogen 2.935 N/A LYS 168.A N ILE 83.A O no hydrogen 3.301 N/A HIS 169.A N ASP 172.A OD2 no hydrogen 2.995 N/A GLY 170.A N ASN 81.A O no hydrogen 2.951 N/A ASP 171.A N ASP 171.A OD2 no hydrogen 2.517 N/A ASP 172.A N HIS 169.A O no hydrogen 2.944 N/A VAL 173.A N GLY 170.A O no hydrogen 2.816 N/A ILE 174.A N GLY 170.A O no hydrogen 2.905 N/A ASP 176.A N GLU 79.A OE1 no hydrogen 2.803 N/A ALA 177.A N ILE 174.A O no hydrogen 3.255 N/A CYS 179.A SG HIS 13.A ND1 no hydrogen 3.549 N/A CYS 180.A N HIS 77.A NE2 no hydrogen 3.134 N/A CYS 180.A SG HIS 13.A ND1 no hydrogen 3.736 N/A VAL 181.A N THR 56.A O no hydrogen 2.855 N/A LEU 182.A N ALA 74.A O no hydrogen 2.743 N/A VAL 183.A N ALA 54.A O no hydrogen 2.913 N/A LEU 184.A N LYS 71.A O no hydrogen 2.884 N/A ARG 185.A N ASP 52.A O no hydrogen 2.876 N/A ARG 185.A NE GLU 187.A OE2 no hydrogen 2.901 N/A ARG 185.A NH1 LEU 46.A O no hydrogen 2.897 N/A ARG 185.A NH1 ASN 47.A O no hydrogen 3.483 N/A GLY 186.A N ASN 69.A OD1 no hydrogen 3.127 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.839 N/A LEU 188.A N ARG 185.A O no hydrogen 3.164 N/A ASP 190.A N GLY 186.A O no hydrogen 2.973 N/A GLN 191.A N GLU 187.A O no hydrogen 2.549 N/A HIS 192.A N LEU 188.A O no hydrogen 2.972 N/A VAL 195.A N ASP 194.A OD1.A no hydrogen 2.697 N/A ALA 196.A N HIS 192.A O no hydrogen 2.809 N/A GLN 197.A N LYS 193.A O no hydrogen 2.777 N/A GLN 197.A NE2 GLN 197.A O no hydrogen 3.361 N/A GLN 197.A NE2 LEU 274.A O no hydrogen 2.850 N/A ALA 198.A N ASP 194.A O.A no hydrogen 2.981 N/A ALA 198.A N ASP 194.A O.B no hydrogen 2.926 N/A PHE 199.A N VAL 195.A O no hydrogen 2.933 N/A VAL 200.A N ALA 196.A O no hydrogen 3.003 N/A GLN 201.A N GLN 197.A O no hydrogen 2.970 N/A GLN 201.A NE2 GLN 201.A O no hydrogen 3.256 N/A GLN 201.A NE2 SER 279.A O no hydrogen 2.423 N/A ASP 202.A N ALA 198.A O no hydrogen 2.992 N/A TYR 203.A N PHE 199.A O no hydrogen 2.863 N/A TYR 203.A OH LEU 75.A O no hydrogen 2.838 N/A LYS 204.A N VAL 200.A O no hydrogen 2.755 N/A LYS 204.A NZ TYR 275.A O no hydrogen 2.780 N/A LYS 204.A NZ ALA 278.A O no hydrogen 2.568 N/A LYS 205.A N GLN 201.A O no hydrogen 3.085 N/A LYS 205.A NZ SER 281.A O no hydrogen 2.862 N/A LYS 205.A NZ SER 281.A OXT no hydrogen 2.588 N/A SER 206.A N ASP 202.A O no hydrogen 2.963 N/A SER 206.A OG ASP 202.A O no hydrogen 2.887 N/A GLY 207.A N TYR 203.A O no hydrogen 3.029 N/A PHE 208.A N LYS 205.A O no hydrogen 3.196 N/A LYS 209.A N LYS 205.A O no hydrogen 3.175 N/A ASP 211.A N LYS 209.A O no hydrogen 3.317 N/A ARG 212.A NE ALA 233.A O no hydrogen 3.259 N/A ARG 212.A NH1 ALA 233.A O no hydrogen 3.337 N/A LYS 213.A N ASP 211.A OD1 no hydrogen 2.981 N/A SER 215.A N ASP 211.A O no hydrogen 3.297 N/A SER 215.A OG ARG 212.A O no hydrogen 3.108 N/A VAL 216.A N ARG 212.A O no hydrogen 3.196 N/A ASP 217.A N LYS 213.A O no hydrogen 2.970 N/A ILE 218.A N GLN 214.A O no hydrogen 2.829 N/A THR 219.A OG1 VAL 216.A O no hydrogen 3.301 N/A THR 219.A OG1 ASP 217.A O no hydrogen 3.004 N/A HIS 220.A N ASP 217.A O no hydrogen 3.284 N/A HIS 221.A N ILE 218.A O no hydrogen 3.371 N/A HIS 221.A ND1 ILE 218.A O no hydrogen 3.200 N/A SER 225.A OG ASP 227.A OD2 no hydrogen 2.581 N/A ARG 226.A NH1 ASP 217.A OD1 no hydrogen 3.240 N/A ARG 226.A NH2 ASP 217.A OD1 no hydrogen 3.271 N/A LEU 229.A N SER 225.A O no hydrogen 3.079 N/A THR 230.A N ARG 226.A O no hydrogen 2.802 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.743 N/A GLN 231.A N ASP 227.A O no hydrogen 3.262 N/A GLN 231.A NE2 GLU 159.A OE1 no hydrogen 3.369 N/A SER 232.A N VAL 228.A O no hydrogen 3.093 N/A SER 232.A OG VAL 228.A O no hydrogen 2.727 N/A ALA 233.A N LEU 229.A O no hydrogen 2.798 N/A ALA 234.A N THR 230.A O no hydrogen 2.871 N/A THR 236.A N ALA 233.A O no hydrogen 3.237 N/A THR 236.A OG1 THR 12.A OG1 no hydrogen 3.003 N/A THR 236.A OG1 SER 232.A O no hydrogen 2.838 N/A SER 237.A N HIS 78.A O no hydrogen 2.997 N/A TYR 238.A OH THR 12.A O no hydrogen 2.604 N/A GLY 239.A N GLY 207.A O no hydrogen 2.781 N/A LEU 241.A N TYR 275.A OH no hydrogen 2.840 N/A THR 242.A N ASP 240.A OD1 no hydrogen 2.874 N/A THR 242.A OG1 ASP 240.A OD1 no hydrogen 2.647 N/A LYS 244.A N TYR 178.A OH no hydrogen 3.074 N/A TYR 248.A N LYS 244.A O no hydrogen 2.883 N/A TYR 248.A OH PRO 264.A O no hydrogen 2.641 N/A GLN 249.A N PRO 245.A O no hydrogen 2.726 N/A GLU 250.A N SER 246.A O no hydrogen 3.074 N/A ILE 251.A N GLY 247.A O no hydrogen 3.419 N/A THR 252.A N TYR 248.A O no hydrogen 2.985 N/A THR 252.A OG1 GLN 249.A O no hydrogen 2.838 N/A THR 252.A OG1 GLN 249.A OE1 no hydrogen 2.730 N/A THR 253.A N GLN 249.A O no hydrogen 2.962 N/A THR 253.A OG1 GLN 249.A O no hydrogen 3.028 N/A LEU 254.A N GLU 250.A O no hydrogen 3.185 N/A VAL 255.A N ILE 251.A O no hydrogen 2.915 N/A LYS 256.A N THR 252.A O no hydrogen 2.911 N/A GLN 257.A N THR 253.A O no hydrogen 2.787 N/A HIS 258.A N LEU 254.A O no hydrogen 3.095 N/A HIS 258.A ND1 LEU 254.A O no hydrogen 2.975 N/A HIS 259.A N LYS 256.A O no hydrogen 3.014 N/A LEU 260.A N VAL 255.A O no hydrogen 2.980 N/A TYR 266.A OH ILE 243.A O no hydrogen 2.656 N/A ASP 268.A N ALA 265.A O no hydrogen 3.009 N/A PHE 269.A N ALA 265.A O no hydrogen 3.153 N/A PHE 269.A N TYR 266.A O no hydrogen 3.200 N/A VAL 270.A N TYR 266.A O no hydrogen 2.714 N/A GLU 271.A N ALA 72.A O no hydrogen 2.820 N/A SER 273.A N GLU 271.A OE1 no hydrogen 3.210 N/A SER 273.A OG GLU 271.A OE1 no hydrogen 2.659 N/A LYS 276.A N PRO 272.A O no hydrogen 3.151 N/A GLU 277.A N SER 273.A O no hydrogen 2.852 N/A ALA 278.A N LEU 274.A O no hydrogen 3.116 N/A SER 279.A N GLN 201.A OE1 no hydrogen 2.811 N/A SER 279.A OG GLN 201.A OE1 no hydrogen 3.115 N/A SER 279.A OG SER 281.A OG no hydrogen 3.336 N/A SER 281.A OG SER 279.A OG no hydrogen 3.336 N/A