Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 6.A N PRO 2.A O no hydrogen 2.951 N/A VAL 7.A N ILE 3.A O no hydrogen 3.040 N/A LEU 8.A N PHE 4.A O no hydrogen 3.064 N/A GLU 9.A N LEU 5.A O no hydrogen 2.914 N/A ALA 10.A N ASN 6.A O no hydrogen 3.049 N/A ILE 11.A N VAL 7.A O no hydrogen 2.937 N/A ALA 18.A N ASP 98.A OD1 no hydrogen 2.868 N/A HIS 20.A N ASP 98.A OD2 no hydrogen 2.680 N/A HIS 20.A ND1 SER 34.A OG no hydrogen 2.619 N/A ASN 22.A ND2 ASP 98.A O no hydrogen 2.696 N/A GLN 24.A N ASP 21.A O no hydrogen 2.841 N/A ALA 30.A N SER 27.A OG no hydrogen 3.204 N/A LEU 31.A N SER 27.A O no hydrogen 3.065 N/A LEU 32.A N PHE 28.A O no hydrogen 3.025 N/A SER 33.A N ALA 29.A O no hydrogen 3.025 N/A SER 33.A OG ALA 29.A O no hydrogen 2.787 N/A SER 34.A N ALA 30.A O no hydrogen 3.169 N/A SER 34.A OG HIS 20.A ND1 no hydrogen 2.619 N/A SER 34.A OG ALA 30.A O no hydrogen 2.869 N/A LEU 35.A N LEU 31.A O no hydrogen 3.049 N/A ASN 36.A N LEU 32.A O no hydrogen 2.847 N/A GLU 37.A N SER 33.A O no hydrogen 3.092 N/A LEU 38.A N SER 34.A O no hydrogen 2.863 N/A GLY 39.A N LEU 35.A O no hydrogen 2.767 N/A GLU 40.A N ASN 36.A O no hydrogen 2.851 N/A ARG 41.A N GLU 37.A O no hydrogen 2.799 N/A ARG 41.A NE GLU 37.A OE2 no hydrogen 3.133 N/A ARG 41.A NH1 CYS 17.A O no hydrogen 2.667 N/A GLN 42.A N LEU 38.A O no hydrogen 2.642 N/A LEU 43.A N GLY 39.A O no hydrogen 2.800 N/A LEU 43.A N GLU 40.A O no hydrogen 3.129 N/A VAL 44.A N ARG 41.A O no hydrogen 2.973 N/A VAL 46.A N GLN 42.A O no hydrogen 3.110 N/A VAL 47.A N LEU 43.A O no hydrogen 3.081 N/A LYS 48.A N VAL 44.A O no hydrogen 3.304 N/A TRP 49.A N HIS 45.A O no hydrogen 2.803 N/A ALA 50.A N VAL 46.A O no hydrogen 2.984 N/A LYS 51.A N VAL 47.A O no hydrogen 3.217 N/A ALA 52.A N TRP 49.A O no hydrogen 2.902 N/A LEU 53.A N ALA 50.A O no hydrogen 2.774 N/A PHE 56.A N LEU 53.A O no hydrogen 3.138 N/A ARG 57.A NH1 LYS 51.A O no hydrogen 3.461 N/A LEU 59.A N PHE 56.A O no hydrogen 3.091 N/A HIS 60.A NE2 ASP 62.A OD2 no hydrogen 2.797 N/A GLN 64.A N HIS 60.A O no hydrogen 2.878 N/A GLN 64.A NE2 LEU 59.A O no hydrogen 2.887 N/A MET 65.A N VAL 61.A O no hydrogen 3.286 N/A ALA 66.A N ASP 62.A O no hydrogen 2.969 N/A VAL 67.A N ASP 63.A O no hydrogen 2.943 N/A GLN 69.A N MET 65.A O no hydrogen 3.114 N/A TYR 70.A N ALA 66.A O no hydrogen 2.821 N/A SER 71.A N VAL 67.A O no hydrogen 3.065 N/A SER 71.A OG VAL 67.A O no hydrogen 2.535 N/A SER 71.A OG LEU 143.A O no hydrogen 3.324 N/A LEU 75.A N SER 71.A O no hydrogen 3.150 N/A MET 76.A N TRP 72.A O no hydrogen 2.917 N/A VAL 77.A N MET 73.A O no hydrogen 2.963 N/A PHE 78.A N GLY 74.A O no hydrogen 2.977 N/A ALA 79.A N LEU 75.A O no hydrogen 3.006 N/A MET 80.A N MET 76.A O no hydrogen 2.805 N/A GLY 81.A N VAL 77.A O no hydrogen 2.979 N/A TRP 82.A N PHE 78.A O no hydrogen 3.151 N/A ARG 83.A N ALA 79.A O no hydrogen 2.969 N/A ARG 83.A NE TYR 94.A O no hydrogen 3.296 N/A ARG 83.A NH2 PHE 95.A O no hydrogen 2.727 N/A SER 84.A N MET 80.A O no hydrogen 2.962 N/A SER 84.A OG MET 80.A O no hydrogen 3.203 N/A PHE 85.A N GLY 81.A O no hydrogen 3.101 N/A THR 86.A N TRP 82.A O no hydrogen 2.918 N/A THR 86.A OG1 TRP 82.A O no hydrogen 3.030 N/A THR 86.A OG1 ARG 83.A O no hydrogen 3.391 N/A ASN 87.A N ARG 83.A O no hydrogen 2.984 N/A SER 90.A N SER 84.A O no hydrogen 2.793 N/A SER 90.A OG SER 122.A OG no hydrogen 2.849 N/A ARG 91.A N VAL 88.A O no hydrogen 3.266 N/A LEU 93.A N PHE 101.A O no hydrogen 3.323 N/A TYR 94.A N SER 84.A OG no hydrogen 2.898 N/A PHE 95.A N LEU 93.A O no hydrogen 2.899 N/A ALA 96.A N LEU 99.A O no hydrogen 3.350 N/A LEU 99.A N ALA 96.A O no hydrogen 2.793 N/A PHE 101.A N LEU 93.A O no hydrogen 3.133 N/A ARG 105.A N ASN 102.A OD1 no hydrogen 2.715 N/A ARG 105.A NE ASP 26.A OD1 no hydrogen 2.625 N/A ARG 105.A NH1 ASN 22.A OD1 no hydrogen 3.294 N/A ARG 105.A NH1 VAL 100.A O no hydrogen 3.005 N/A ARG 105.A NH2 ASN 22.A OD1 no hydrogen 2.457 N/A ARG 105.A NH2 ASP 26.A OD1 no hydrogen 3.006 N/A MET 106.A N ASN 102.A O no hydrogen 3.023 N/A HIS 107.A N GLU 103.A O no hydrogen 3.204 N/A HIS 107.A N TYR 104.A O no hydrogen 2.950 N/A LYS 108.A N TYR 104.A O no hydrogen 2.976 N/A SER 109.A N ARG 105.A O no hydrogen 2.947 N/A SER 109.A OG ARG 105.A O no hydrogen 3.501 N/A SER 109.A OG MET 106.A O no hydrogen 3.059 N/A ARG 110.A N HIS 107.A O no hydrogen 3.085 N/A TYR 112.A OH GLU 103.A OE1 no hydrogen 2.875 N/A TYR 112.A OH GLU 103.A OE2 no hydrogen 2.929 N/A CYS 115.A N MET 111.A O no hydrogen 3.229 N/A CYS 115.A SG MET 111.A O no hydrogen 3.399 N/A VAL 116.A N TYR 112.A O no hydrogen 3.031 N/A ARG 117.A N SER 113.A O no hydrogen 3.121 N/A ARG 117.A NH1 GLU 203.A OE1 no hydrogen 2.617 N/A MET 118.A N GLN 114.A O no hydrogen 2.919 N/A ARG 119.A N CYS 115.A O no hydrogen 2.781 N/A HIS 120.A N VAL 116.A O no hydrogen 2.876 N/A LEU 121.A N ARG 117.A O no hydrogen 2.903 N/A SER 122.A N MET 118.A O no hydrogen 2.811 N/A SER 122.A OG GLY 81.A O no hydrogen 3.037 N/A SER 122.A OG SER 90.A OG no hydrogen 2.849 N/A GLN 123.A N ARG 119.A O no hydrogen 2.822 N/A GLU 124.A N HIS 120.A O no hydrogen 2.918 N/A PHE 125.A N SER 122.A O no hydrogen 3.201 N/A GLY 126.A N GLN 123.A O no hydrogen 2.882 N/A TRP 127.A N GLN 123.A O no hydrogen 3.119 N/A LEU 128.A N GLU 124.A O no hydrogen 2.941 N/A GLN 129.A N GLY 126.A O no hydrogen 2.778 N/A ILE 130.A N PHE 125.A O no hydrogen 3.065 N/A THR 131.A N GLU 134.A OE1 no hydrogen 2.826 N/A GLU 134.A N THR 131.A OG1 no hydrogen 3.389 N/A PHE 135.A N THR 131.A O no hydrogen 3.061 N/A LEU 136.A N PRO 132.A O no hydrogen 3.158 N/A CYS 137.A N GLN 133.A O no hydrogen 3.199 N/A CYS 137.A SG GLN 133.A O no hydrogen 3.462 N/A MET 138.A N GLU 134.A O no hydrogen 3.003 N/A LYS 139.A N PHE 135.A O no hydrogen 2.913 N/A LYS 139.A NZ GLU 12.A OE1 no hydrogen 3.516 N/A LYS 139.A NZ GLU 12.A OE2 no hydrogen 2.901 N/A ALA 140.A N LEU 136.A O no hydrogen 2.917 N/A LEU 141.A N CYS 137.A O no hydrogen 2.899 N/A LEU 142.A N MET 138.A O no hydrogen 3.055 N/A LEU 143.A N ALA 140.A O no hydrogen 3.153 N/A PHE 144.A N LEU 141.A O no hydrogen 2.894 N/A SER 145.A N LEU 142.A O no hydrogen 3.026 N/A SER 145.A OG LEU 141.A O no hydrogen 2.595 N/A ILE 147.A N LYS 243.A O no hydrogen 3.209 N/A VAL 149.A N LYS 241.A O no hydrogen 2.722 N/A GLY 151.A N PRO 148.A O no hydrogen 2.856 N/A LYS 153.A N ASP 63.A OD1 no hydrogen 2.746 N/A LYS 153.A NZ ASP 62.A OD2 no hydrogen 3.171 N/A ASN 154.A N ASP 63.A OD2 no hydrogen 3.049 N/A GLN 155.A NE2 GLN 155.A O no hydrogen 3.235 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 2.880 N/A PHE 158.A N ASN 154.A O no hydrogen 3.426 N/A ASP 159.A N GLN 155.A O no hydrogen 2.818 N/A GLU 160.A N LYS 156.A O no hydrogen 3.360 N/A LEU 161.A N PHE 157.A O no hydrogen 2.919 N/A ARG 162.A N PHE 158.A O no hydrogen 2.789 N/A ARG 162.A NH1 PHE 144.A O no hydrogen 3.164 N/A MET 163.A N ASP 159.A O no hydrogen 2.885 N/A ASN 164.A N GLU 160.A O no hydrogen 3.071 N/A TYR 165.A N LEU 161.A O no hydrogen 3.162 N/A TYR 165.A OH PRO 54.A O no hydrogen 2.670 N/A ILE 166.A N ARG 162.A O no hydrogen 3.110 N/A LYS 167.A N MET 163.A O no hydrogen 3.130 N/A GLU 168.A N ASN 164.A O no hydrogen 2.928 N/A LEU 169.A N TYR 165.A O no hydrogen 2.936 N/A ASP 170.A N ILE 166.A O no hydrogen 3.004 N/A ARG 171.A N LYS 167.A O no hydrogen 2.738 N/A ILE 172.A N GLU 168.A O no hydrogen 2.904 N/A ILE 173.A N LEU 169.A O no hydrogen 3.043 N/A ALA 174.A N ASP 170.A O no hydrogen 2.929 N/A CYS 175.A N ILE 173.A O no hydrogen 2.615 N/A CYS 175.A SG ARG 171.A O no hydrogen 2.851 N/A CYS 183.A SG ASN 179.A O no hydrogen 3.796 N/A ARG 185.A N THR 181.A O no hydrogen 2.896 N/A ARG 186.A N SER 182.A O no hydrogen 3.133 N/A ARG 186.A NE GLU 134.A OE2 no hydrogen 2.694 N/A ARG 186.A NH1 LEU 128.A O no hydrogen 2.646 N/A ARG 186.A NH1 GLN 189.A OE1 no hydrogen 3.256 N/A ARG 186.A NH2 LEU 128.A O no hydrogen 3.253 N/A ARG 186.A NH2 GLN 129.A O no hydrogen 3.087 N/A ARG 186.A NH2 GLU 134.A OE1 no hydrogen 2.506 N/A ARG 186.A NH2 GLU 134.A OE2 no hydrogen 3.050 N/A PHE 187.A N CYS 183.A O no hydrogen 3.133 N/A TYR 188.A N SER 184.A O no hydrogen 3.273 N/A GLN 189.A N ARG 185.A O no hydrogen 3.119 N/A LEU 190.A N ARG 186.A O no hydrogen 3.181 N/A THR 191.A N PHE 187.A O no hydrogen 3.059 N/A THR 191.A OG1 PHE 187.A O no hydrogen 2.527 N/A THR 191.A OG1 TYR 188.A O no hydrogen 3.071 N/A THR 191.A OG1 HIS 248.A NE2 no hydrogen 3.288 N/A LYS 192.A N TYR 188.A O no hydrogen 3.242 N/A LYS 192.A N GLN 189.A O no hydrogen 3.078 N/A LEU 193.A N GLN 189.A O no hydrogen 2.756 N/A LEU 194.A N LEU 190.A O no hydrogen 2.687 N/A ASP 195.A N THR 191.A O no hydrogen 3.115 N/A SER 196.A N LYS 192.A O no hydrogen 2.894 N/A SER 196.A OG LYS 192.A O no hydrogen 3.220 N/A SER 196.A OG LEU 193.A O no hydrogen 2.439 N/A VAL 197.A N LEU 194.A O no hydrogen 3.046 N/A GLN 198.A N ASP 195.A O no hydrogen 3.100 N/A ALA 201.A N VAL 197.A O no hydrogen 2.944 N/A ARG 202.A N GLN 198.A O no hydrogen 2.891 N/A GLU 203.A N PRO 199.A O no hydrogen 3.285 N/A GLU 203.A N ILE 200.A O no hydrogen 2.939 N/A LEU 204.A N ILE 200.A O no hydrogen 3.213 N/A HIS 205.A N ALA 201.A O no hydrogen 2.914 N/A GLN 206.A N ARG 202.A O no hydrogen 3.284 N/A PHE 207.A N GLU 203.A O no hydrogen 2.870 N/A THR 208.A N LEU 204.A O no hydrogen 2.721 N/A PHE 209.A N HIS 205.A O no hydrogen 2.886 N/A ASP 210.A N GLN 206.A O no hydrogen 2.969 N/A LEU 211.A N PHE 207.A O no hydrogen 2.914 N/A LEU 212.A N THR 208.A O no hydrogen 2.776 N/A ILE 213.A N PHE 209.A O no hydrogen 3.150 N/A LYS 214.A N ASP 210.A O no hydrogen 3.179 N/A SER 215.A N LEU 212.A O no hydrogen 2.926 N/A SER 215.A OG LEU 212.A O no hydrogen 2.682 N/A VAL 218.A N LYS 214.A O no hydrogen 3.173 N/A VAL 220.A N SER 215.A O no hydrogen 2.880 N/A ASP 221.A N SER 33.A OG no hydrogen 3.233 N/A MET 226.A N GLU 40.A OE1 no hydrogen 2.977 N/A ALA 227.A N PRO 223.A O no hydrogen 3.007 N/A GLU 228.A N GLU 224.A O no hydrogen 3.222 N/A ILE 229.A N MET 225.A O no hydrogen 2.839 N/A ILE 230.A N MET 226.A O no hydrogen 3.069 N/A SER 231.A N ALA 227.A O no hydrogen 3.254 N/A SER 231.A OG ALA 227.A O no hydrogen 3.156 N/A SER 231.A OG GLU 228.A O no hydrogen 3.303 N/A VAL 232.A N GLU 228.A O no hydrogen 3.217 N/A VAL 232.A N ILE 229.A O no hydrogen 3.329 N/A GLN 233.A N ILE 229.A O no hydrogen 2.869 N/A VAL 234.A N ILE 229.A O no hydrogen 3.245 N/A LYS 236.A N GLN 233.A O no hydrogen 2.789 N/A LYS 236.A NZ GLN 233.A OE1 no hydrogen 3.486 N/A ILE 237.A N VAL 234.A O no hydrogen 2.831 N/A LEU 238.A N VAL 234.A O no hydrogen 3.052 N/A SER 239.A N PRO 235.A O no hydrogen 2.915 N/A SER 239.A OG PRO 235.A O no hydrogen 3.057 N/A SER 239.A OG LYS 236.A O no hydrogen 3.232 N/A GLY 240.A N ILE 237.A O no hydrogen 3.032 N/A LYS 241.A N LYS 236.A O no hydrogen 2.628 N/A VAL 242.A N LYS 236.A O no hydrogen 3.058 N/A LYS 243.A N ILE 147.A O no hydrogen 2.791 N/A ILE 245.A N SER 145.A O no hydrogen 2.583 N/A PHE 247.A N ASP 195.A OD1 no hydrogen 2.735 N/A PHE 247.A N ASP 195.A OD2 no hydrogen 3.259 N/A HIS 248.A N ASP 195.A OD2 no hydrogen 3.095 N/A HIS 248.A NE2 THR 191.A OG1 no hydrogen 3.288 N/A