Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lok_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N ASP 2.A OD2 no hydrogen 2.925 N/A ILE 6.A N VAL 57.A O no hydrogen 3.320 N/A ARG 8.A NH1 GLU 60.A O no hydrogen 3.493 N/A SER 10.A OG PRO 7.A O no hydrogen 2.513 N/A LEU 11.A N ARG 8.A O no hydrogen 2.744 N/A ARG 12.A N THR 26.A O no hydrogen 2.610 N/A GLU 14.A N MET 24.A O no hydrogen 3.245 N/A VAL 22.A N GLY 18.A O no hydrogen 2.876 N/A TRP 23.A N ILE 35.A O no hydrogen 3.054 N/A TRP 23.A NE1 GLU 21.A OE1 no hydrogen 2.293 N/A MET 24.A N VAL 15.A O no hydrogen 2.839 N/A THR 26.A N ARG 12.A O no hydrogen 2.771 N/A THR 26.A OG1 GLU 14.A OE2 no hydrogen 2.849 N/A TRP 27.A N THR 31.A O no hydrogen 2.665 N/A ASN 28.A N SER 10.A O no hydrogen 2.868 N/A THR 30.A N ASN 28.A O no hydrogen 2.599 N/A THR 31.A N TRP 27.A O no hydrogen 3.129 N/A VAL 33.A N GLY 25.A O no hydrogen 3.147 N/A ALA 34.A N MET 67.A O no hydrogen 3.302 N/A ILE 35.A N TRP 23.A O no hydrogen 3.170 N/A LYS 36.A N ILE 65.A O no hydrogen 2.888 N/A THR 37.A N GLU 21.A O no hydrogen 3.326 N/A LEU 38.A N ILE 63.A O no hydrogen 3.384 N/A LYS 44.A NZ ASP 2.A OD1 no hydrogen 3.042 N/A LYS 45.A N VAL 42.A O no hydrogen 3.244 N/A LEU 46.A N VAL 42.A O no hydrogen 3.086 N/A ARG 47.A N TYR 105.A OH no hydrogen 2.930 N/A LYS 50.A N HIS 48.A ND1 no hydrogen 2.947 N/A LYS 50.A NZ GLN 98.A OE1 no hydrogen 2.706 N/A LEU 51.A N HIS 48.A O no hydrogen 3.288 N/A VAL 52.A N VAL 131.A O no hydrogen 2.817 N/A GLN 53.A N GLU 68.A OE1 no hydrogen 2.666 N/A GLN 53.A NE2 LEU 54.A O no hydrogen 2.768 N/A TYR 55.A N VAL 66.A O no hydrogen 2.643 N/A ALA 56.A N VAL 66.A O no hydrogen 3.389 N/A VAL 57.A N TRP 4.A O no hydrogen 3.463 N/A VAL 58.A N TYR 64.A O no hydrogen 2.814 N/A TYR 64.A N VAL 58.A O no hydrogen 3.409 N/A ILE 65.A N LYS 36.A O no hydrogen 3.059 N/A VAL 66.A N ALA 56.A O no hydrogen 2.810 N/A MET 67.A N ALA 34.A O no hydrogen 2.883 N/A GLU 68.A N GLN 53.A O no hydrogen 2.644 N/A SER 71.A OG GLU 125.A OE1 no hydrogen 2.694 N/A LYS 72.A N VAL 123.A O no hydrogen 2.942 N/A GLY 73.A N MET 70.A O no hydrogen 3.429 N/A LEU 75.A N ILE 121.A O no hydrogen 2.662 N/A PHE 78.A N CYS 74.A O no hydrogen 3.092 N/A LEU 79.A N LEU 75.A O no hydrogen 2.852 N/A LYS 80.A N LEU 76.A O no hydrogen 3.196 N/A LYS 80.A N ASP 77.A O no hydrogen 3.225 N/A GLY 81.A N ASP 77.A O no hydrogen 2.890 N/A TYR 86.A N MET 83.A O no hydrogen 2.698 N/A LEU 87.A N MET 83.A O no hydrogen 3.175 N/A ARG 88.A N GLN 91.A OE1 no hydrogen 2.888 N/A ARG 88.A NE LEU 87.A O no hydrogen 3.127 N/A LEU 89.A N LEU 248.A OXT no hydrogen 3.141 N/A GLN 91.A N ARG 88.A O no hydrogen 2.980 N/A LEU 92.A N ARG 88.A O no hydrogen 3.155 N/A LEU 92.A N LEU 89.A O no hydrogen 3.239 N/A VAL 93.A N LEU 89.A O no hydrogen 2.960 N/A ASP 94.A N PRO 90.A O no hydrogen 3.402 N/A MET 95.A N GLN 91.A O no hydrogen 2.943 N/A ALA 96.A N LEU 92.A O no hydrogen 2.819 N/A ALA 97.A N VAL 93.A O no hydrogen 2.858 N/A GLN 98.A N ASP 94.A O no hydrogen 2.827 N/A GLN 98.A NE2 ASP 94.A OD2 no hydrogen 2.547 N/A GLN 98.A NE2 LEU 127.A O no hydrogen 3.059 N/A ILE 99.A N MET 95.A O no hydrogen 2.947 N/A ALA 100.A N ALA 96.A O no hydrogen 2.839 N/A SER 101.A N ALA 97.A O no hydrogen 2.861 N/A GLY 102.A N GLN 98.A O no hydrogen 3.157 N/A MET 103.A N ILE 99.A O no hydrogen 2.839 N/A ALA 104.A N ALA 100.A O no hydrogen 2.744 N/A TYR 105.A N SER 101.A O no hydrogen 3.075 N/A TYR 105.A N GLY 102.A O no hydrogen 3.100 N/A VAL 106.A N GLY 102.A O no hydrogen 3.013 N/A GLU 107.A N MET 103.A O no hydrogen 2.771 N/A ARG 108.A N ALA 104.A O no hydrogen 3.162 N/A MET 109.A N TYR 105.A O no hydrogen 3.331 N/A MET 109.A N VAL 106.A O no hydrogen 3.072 N/A ASN 110.A N GLU 107.A O no hydrogen 2.810 N/A TYR 111.A N VAL 106.A O no hydrogen 3.366 N/A HIS 113.A N ASP 159.A OD2 no hydrogen 2.545 N/A HIS 113.A NE2 ALA 132.A O no hydrogen 2.796 N/A ARG 114.A N ASP 159.A OD1 no hydrogen 2.898 N/A ARG 114.A NE LEU 136.A O no hydrogen 2.362 N/A ASP 115.A N HIS 113.A ND1 no hydrogen 2.990 N/A ARG 117.A NE ASP 115.A OD1 no hydrogen 2.538 N/A ARG 117.A NH2 ASP 115.A OD1 no hydrogen 3.100 N/A ARG 117.A NH2 ASP 115.A OD2 no hydrogen 2.872 N/A ALA 118.A N GLU 169.A OE2 no hydrogen 2.734 N/A ASN 120.A N ARG 117.A O no hydrogen 2.824 N/A ASN 120.A ND2 ASP 115.A O no hydrogen 2.572 N/A ILE 121.A N ALA 118.A O no hydrogen 2.908 N/A LEU 122.A N LYS 130.A O no hydrogen 3.009 N/A VAL 123.A N GLY 73.A O no hydrogen 2.845 N/A GLY 124.A N VAL 128.A O no hydrogen 2.786 N/A VAL 128.A N GLU 125.A O no hydrogen 3.217 N/A CYS 129.A N GLN 98.A OE1 no hydrogen 2.996 N/A CYS 129.A SG LEU 127.A O no hydrogen 3.964 N/A LYS 130.A N LEU 122.A O no hydrogen 2.839 N/A LYS 130.A NZ GLU 68.A OE2 no hydrogen 2.307 N/A VAL 131.A N LYS 50.A O no hydrogen 2.776 N/A ALA 132.A N ASN 120.A O no hydrogen 2.988 N/A LYS 142.A NZ MET 181.A O no hydrogen 3.058 N/A TRP 143.A NE1 GLU 169.A OE2 no hydrogen 2.953 N/A THR 144.A N ILE 141.A O no hydrogen 3.393 N/A THR 144.A OG1 PRO 140.A O no hydrogen 3.016 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.735 N/A ALA 149.A N ALA 145.A O no hydrogen 2.881 N/A LEU 150.A N PRO 146.A O no hydrogen 2.751 N/A TYR 151.A N GLU 147.A O no hydrogen 2.660 N/A GLY 152.A N ALA 148.A O no hydrogen 3.051 N/A ARG 153.A N GLU 147.A O no hydrogen 3.302 N/A PHE 154.A N GLY 152.A O no hydrogen 2.666 N/A THR 155.A N SER 158.A OG no hydrogen 2.775 N/A LYS 157.A N THR 155.A OG1 no hydrogen 3.188 N/A LYS 157.A NZ ARG 221.A O no hydrogen 2.884 N/A SER 158.A N THR 155.A O no hydrogen 2.916 N/A SER 158.A OG THR 155.A O no hydrogen 2.926 N/A ASP 159.A N THR 155.A O no hydrogen 3.160 N/A VAL 160.A N ILE 156.A O no hydrogen 3.037 N/A SER 162.A N SER 158.A O no hydrogen 3.079 N/A SER 162.A OG TRP 143.A O no hydrogen 2.423 N/A SER 162.A OG SER 158.A O no hydrogen 3.341 N/A PHE 163.A N ASP 159.A O no hydrogen 2.842 N/A GLY 164.A N VAL 160.A O no hydrogen 2.975 N/A ILE 165.A N TRP 161.A O no hydrogen 3.115 N/A LEU 166.A N SER 162.A O no hydrogen 2.600 N/A LEU 167.A N PHE 163.A O no hydrogen 2.745 N/A THR 168.A N ILE 165.A O no hydrogen 2.820 N/A THR 168.A OG1 ILE 165.A O no hydrogen 2.522 N/A GLU 169.A N ILE 165.A O no hydrogen 3.122 N/A LEU 170.A N LEU 166.A O no hydrogen 2.892 N/A THR 171.A N LEU 167.A O no hydrogen 3.246 N/A THR 171.A N THR 168.A O no hydrogen 3.267 N/A THR 171.A OG1 LEU 167.A O no hydrogen 3.281 N/A THR 171.A OG1 THR 168.A O no hydrogen 3.197 N/A THR 172.A N THR 168.A O no hydrogen 3.002 N/A THR 172.A N GLU 169.A O no hydrogen 3.194 N/A THR 172.A OG1 THR 168.A O no hydrogen 3.061 N/A THR 172.A OG1 GLU 169.A O no hydrogen 3.364 N/A LYS 173.A NZ LEU 87.A O no hydrogen 3.486 N/A LYS 173.A NZ ASN 247.A O no hydrogen 2.541 N/A GLY 174.A N GLU 169.A O no hydrogen 2.748 N/A ARG 175.A N THR 172.A OG1 no hydrogen 3.096 N/A MET 181.A N TYR 178.A O no hydrogen 3.090 N/A VAL 182.A N GLU 185.A OE1 no hydrogen 3.229 N/A GLU 185.A N VAL 182.A O no hydrogen 2.842 N/A VAL 186.A N VAL 182.A O no hydrogen 3.292 N/A VAL 186.A N ASN 183.A O no hydrogen 3.142 N/A LEU 187.A N ASN 183.A O no hydrogen 3.006 N/A ASP 188.A N ARG 184.A O no hydrogen 3.273 N/A GLN 189.A N GLU 185.A O no hydrogen 2.912 N/A VAL 190.A N VAL 186.A O no hydrogen 2.814 N/A GLU 191.A N LEU 187.A O no hydrogen 3.123 N/A ARG 192.A N ASP 188.A O no hydrogen 3.214 N/A GLY 193.A N VAL 190.A O no hydrogen 2.946 N/A TYR 194.A N GLN 189.A O no hydrogen 3.085 N/A ARG 195.A NE TRP 214.A O no hydrogen 3.002 N/A ARG 195.A NH1 VAL 190.A O no hydrogen 3.286 N/A ARG 195.A NH1 TYR 194.A O no hydrogen 2.867 N/A ARG 195.A NH2 TRP 214.A O no hydrogen 2.639 N/A CYS 198.A SG PRO 199.A O no hydrogen 3.671 N/A CYS 198.A SG CYS 202.A O no hydrogen 3.046 N/A CYS 198.A SG PRO 203.A O no hydrogen 4.022 N/A CYS 202.A N PRO 199.A O no hydrogen 3.086 N/A CYS 202.A SG PRO 203.A O no hydrogen 3.453 N/A SER 205.A OG TYR 234.A OH no hydrogen 2.760 N/A SER 205.A OG GLU 239.A OE2 no hydrogen 2.495 N/A LEU 206.A N PRO 203.A O no hydrogen 3.136 N/A HIS 207.A N PRO 203.A O no hydrogen 3.308 N/A HIS 207.A NE2 MET 196.A O no hydrogen 2.713 N/A ASP 208.A N GLU 204.A O no hydrogen 3.031 N/A MET 210.A N LEU 206.A O no hydrogen 3.097 N/A CYS 211.A N HIS 207.A O no hydrogen 2.780 N/A CYS 211.A SG HIS 207.A O no hydrogen 3.063 N/A GLN 212.A N ASP 208.A O no hydrogen 2.633 N/A CYS 213.A N MET 210.A O no hydrogen 2.708 N/A CYS 213.A SG VAL 160.A O no hydrogen 3.772 N/A CYS 213.A SG LEU 209.A O no hydrogen 3.319 N/A TRP 214.A N MET 210.A O no hydrogen 3.130 N/A TRP 214.A N CYS 211.A O no hydrogen 3.209 N/A ARG 215.A NH1 GLU 220.A O no hydrogen 2.766 N/A GLU 220.A N ASP 217.A O no hydrogen 2.540 N/A ARG 221.A NE LYS 157.A O no hydrogen 3.182 N/A ARG 221.A NH1 ARG 215.A O no hydrogen 2.670 N/A ARG 221.A NH2 GLU 147.A OE1 no hydrogen 3.398 N/A ARG 221.A NH2 LYS 157.A O no hydrogen 3.251 N/A PHE 224.A N GLU 107.A OE2 no hydrogen 2.869 N/A GLU 225.A N GLU 107.A OE1 no hydrogen 3.256 N/A TYR 226.A N THR 223.A OG1 no hydrogen 2.791 N/A LEU 227.A N THR 223.A O no hydrogen 3.026 N/A GLN 228.A N PHE 224.A O no hydrogen 2.648 N/A GLN 228.A NE2 GLU 232.A OE2 no hydrogen 2.808 N/A ALA 229.A N GLU 225.A O no hydrogen 3.500 N/A PHE 230.A N TYR 226.A O no hydrogen 2.991 N/A LEU 231.A N LEU 227.A O no hydrogen 2.862 N/A GLU 232.A N GLN 228.A O no hydrogen 2.698 N/A ASP 233.A N ALA 229.A O no hydrogen 2.829 N/A TYR 234.A N LEU 231.A O no hydrogen 3.367 N/A TYR 234.A OH SER 205.A OG no hydrogen 2.760 N/A THR 236.A N ASP 233.A O no hydrogen 2.920 N/A SER 237.A N ASP 233.A O no hydrogen 2.974 N/A THR 238.A N TYR 234.A O no hydrogen 2.877 N/A GLU 239.A N TYR 234.A O no hydrogen 3.021 N/A TYR 242.A N GLU 239.A O no hydrogen 3.389 N/A TYR 242.A OH LEU 248.A OXT no hydrogen 2.589 N/A GLY 245.A N LEU 248.A O no hydrogen 2.822 N/A ASN 247.A N GLU 201.A OE1 no hydrogen 2.756 N/A ASN 247.A ND2 GLU 201.A OE2 no hydrogen 2.665 N/A LEU 248.A N GLU 201.A OE1 no hydrogen 3.316 N/A