Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3npw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N THR 1.A OG1 no hydrogen 2.997 N/A SER 6.A N ASP 2.A O no hydrogen 2.912 N/A SER 6.A OG ASP 2.A O no hydrogen 3.398 N/A SER 6.A OG LEU 3.A O no hydrogen 3.098 N/A SER 7.A N LEU 3.A O no hydrogen 2.961 N/A SER 7.A OG LEU 3.A O no hydrogen 2.835 N/A LEU 8.A N LYS 4.A O no hydrogen 3.064 N/A ARG 9.A N ALA 5.A O no hydrogen 3.106 N/A ARG 9.A NH1 ASP 216.A OD1 no hydrogen 2.862 N/A ALA 10.A N SER 6.A O no hydrogen 3.048 N/A LEU 11.A N SER 7.A O no hydrogen 3.090 N/A LYS 12.A N LEU 8.A O no hydrogen 3.130 N/A LEU 13.A N ARG 9.A O no hydrogen 3.173 N/A LEU 13.A N ALA 10.A O no hydrogen 3.080 N/A MET 14.A N LEU 11.A O no hydrogen 3.136 N/A HIS 15.A N PHE 231.A O no hydrogen 2.804 N/A LEU 16.A N ALA 41.A O no hydrogen 2.998 N/A ALA 17.A N ALA 233.A O no hydrogen 2.868 N/A THR 18.A OG1 ASP 20.A OD1 no hydrogen 2.927 N/A THR 21.A OG1 GLU 23.A OE1 no hydrogen 3.413 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.686 N/A LYS 24.A N THR 21.A OG1 no hydrogen 3.208 N/A VAL 25.A N THR 21.A O no hydrogen 2.991 N/A ILE 26.A N ASP 22.A O no hydrogen 2.950 N/A ALA 27.A N GLU 23.A O no hydrogen 3.219 N/A LEU 28.A N LYS 24.A O no hydrogen 3.021 N/A CYS 29.A N VAL 25.A O no hydrogen 3.033 N/A CYS 29.A SG VAL 25.A O no hydrogen 3.386 N/A CYS 29.A SG ALA 52.A O no hydrogen 3.670 N/A HIS 30.A N ILE 26.A O no hydrogen 3.138 N/A HIS 30.A ND1 GLN 59.A OE1 no hydrogen 2.923 N/A GLN 31.A N ALA 27.A O no hydrogen 2.890 N/A ALA 32.A N LEU 28.A O no hydrogen 3.017 N/A LYS 33.A N HIS 30.A O no hydrogen 3.015 N/A THR 34.A N GLY 37.A O no hydrogen 2.982 N/A THR 34.A OG1 GLY 37.A O no hydrogen 2.602 N/A VAL 36.A N THR 34.A OG1 no hydrogen 3.057 N/A GLY 37.A N THR 34.A O no hydrogen 3.240 N/A THR 39.A N ALA 32.A O no hydrogen 3.017 N/A THR 39.A OG1 ALA 41.A O no hydrogen 2.954 N/A ALA 41.A N MET 14.A O no hydrogen 3.071 N/A ILE 42.A N ARG 65.A O no hydrogen 3.000 N/A PHE 43.A N LEU 16.A O no hydrogen 2.642 N/A ILE 44.A N TRP 67.A O no hydrogen 3.014 N/A PHE 48.A N TYR 45.A O no hydrogen 3.122 N/A ILE 49.A N PRO 46.A O no hydrogen 3.099 N/A ALA 52.A N PHE 48.A O no hydrogen 2.925 N/A ARG 53.A N ILE 49.A O no hydrogen 2.812 N/A ARG 53.A NH1 ASP 95.A OD2 no hydrogen 2.913 N/A ARG 53.A NH2 GLY 93.A O no hydrogen 2.707 N/A ARG 53.A NH2 ASP 95.A OD1 no hydrogen 3.290 N/A ARG 53.A NH2 ASP 95.A OD2 no hydrogen 3.177 N/A LYS 54.A N PRO 50.A O no hydrogen 3.124 N/A THR 55.A N ILE 51.A O no hydrogen 2.892 N/A THR 55.A OG1 ILE 51.A O no hydrogen 2.889 N/A LEU 56.A N ALA 52.A O no hydrogen 2.913 N/A LYS 57.A N ARG 53.A O no hydrogen 2.979 N/A GLU 58.A N LYS 54.A O no hydrogen 3.157 N/A GLN 59.A N THR 55.A O no hydrogen 3.191 N/A GLN 59.A NE2 CYS 29.A O no hydrogen 2.901 N/A GLN 59.A NE2 THR 61.A OG1 no hydrogen 2.753 N/A GLY 60.A N LYS 57.A O no hydrogen 2.923 N/A THR 61.A N LEU 56.A O no hydrogen 2.915 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 2.757 N/A ILE 64.A N THR 61.A O no hydrogen 3.274 N/A ARG 65.A N ASP 40.A O no hydrogen 3.133 N/A ARG 65.A NH1 ASP 40.A OD1 no hydrogen 3.268 N/A ILE 66.A N ASP 95.A OD2 no hydrogen 2.749 N/A TRP 67.A N ILE 42.A O no hydrogen 2.886 N/A THR 68.A N GLY 96.A O no hydrogen 3.127 N/A THR 68.A OG1 ILE 44.A O no hydrogen 2.572 N/A SER 69.A N THR 68.A OG1 no hydrogen 2.796 N/A THR 70.A N ALA 98.A O no hydrogen 3.040 N/A THR 70.A OG1 THR 86.A OG1 no hydrogen 3.204 N/A ASN 71.A N GLU 85.A OE1 no hydrogen 2.822 N/A ASN 71.A ND2 ASN 76.A O no hydrogen 2.779 N/A ASN 71.A ND2 VAL 100.A O no hydrogen 2.911 N/A HIS 74.A NE2 ASN 71.A OD1 no hydrogen 3.172 N/A GLY 75.A N ASN 71.A O no hydrogen 2.904 N/A ILE 81.A N ASP 78.A OD1 no hydrogen 3.028 N/A ALA 82.A N ASP 78.A O no hydrogen 3.109 N/A LEU 83.A N ILE 79.A O no hydrogen 2.776 N/A ALA 84.A N ASP 80.A O no hydrogen 2.931 N/A GLU 85.A N ILE 81.A O no hydrogen 2.977 N/A THR 86.A N ALA 82.A O no hydrogen 2.956 N/A THR 86.A OG1 THR 70.A OG1 no hydrogen 3.204 N/A THR 86.A OG1 ALA 82.A O no hydrogen 2.809 N/A ARG 87.A N LEU 83.A O no hydrogen 2.903 N/A ALA 88.A N ALA 84.A O no hydrogen 3.100 N/A ALA 89.A N GLU 85.A O no hydrogen 2.887 N/A ILE 90.A N THR 86.A O no hydrogen 3.106 N/A ALA 91.A N ARG 87.A O no hydrogen 2.978 N/A TYR 92.A N ALA 88.A O no hydrogen 2.860 N/A GLY 93.A N ALA 89.A O no hydrogen 3.225 N/A GLY 93.A N ILE 90.A O no hydrogen 2.820 N/A ALA 94.A N ALA 89.A O no hydrogen 3.073 N/A ASP 95.A N ILE 66.A O no hydrogen 2.849 N/A GLY 96.A N ILE 66.A O no hydrogen 3.301 N/A VAL 97.A N LEU 131.A O no hydrogen 2.784 N/A ALA 98.A N THR 68.A O no hydrogen 2.701 N/A VAL 99.A N SER 133.A O no hydrogen 2.973 N/A VAL 100.A N THR 70.A O no hydrogen 3.060 N/A PHE 101.A N ILE 135.A O no hydrogen 2.844 N/A ARG 104.A NH1 HIS 74.A O no hydrogen 2.591 N/A ARG 104.A NH2 HIS 74.A O no hydrogen 3.010 N/A LEU 106.A N PRO 102.A O no hydrogen 3.176 N/A MET 107.A N TYR 103.A O no hydrogen 2.895 N/A ALA 108.A N ARG 104.A O no hydrogen 3.022 N/A GLY 109.A N LEU 106.A O no hydrogen 2.921 N/A ASN 110.A N ALA 105.A O no hydrogen 2.923 N/A VAL 113.A N ASN 110.A OD1 no hydrogen 3.049 N/A ASP 116.A N GLN 112.A O no hydrogen 3.042 N/A LEU 117.A N VAL 113.A O no hydrogen 2.777 N/A VAL 118.A N GLY 114.A O no hydrogen 3.074 N/A LYS 119.A N PHE 115.A O no hydrogen 3.019 N/A ALA 120.A N ASP 116.A O no hydrogen 2.928 N/A CYS 121.A N LEU 117.A O no hydrogen 3.160 N/A CYS 121.A SG THR 86.A OG1 no hydrogen 3.363 N/A CYS 121.A SG LEU 117.A O no hydrogen 3.444 N/A LYS 122.A N VAL 118.A O no hydrogen 2.735 N/A LYS 122.A NZ GLY 158.A O no hydrogen 2.620 N/A LYS 122.A NZ ASP 160.A OD1 no hydrogen 3.506 N/A GLU 123.A N LYS 119.A O no hydrogen 2.925 N/A ALA 124.A N ALA 120.A O no hydrogen 3.298 N/A CYS 125.A N CYS 121.A O no hydrogen 2.897 N/A CYS 125.A SG CYS 121.A O no hydrogen 3.528 N/A ALA 126.A N LYS 122.A O no hydrogen 2.830 N/A ALA 127.A N GLU 123.A O no hydrogen 3.241 N/A ALA 128.A N CYS 125.A O no hydrogen 3.112 N/A ASN 129.A N ALA 126.A O no hydrogen 2.952 N/A VAL 130.A N CYS 125.A O no hydrogen 2.893 N/A LEU 131.A N ASP 95.A O no hydrogen 3.054 N/A LEU 132.A N ASP 160.A OD2 no hydrogen 2.861 N/A SER 133.A N VAL 97.A O no hydrogen 2.855 N/A SER 133.A OG HIS 161.A ND1 no hydrogen 3.156 N/A VAL 134.A N HIS 161.A O no hydrogen 3.017 N/A ILE 135.A N VAL 99.A O no hydrogen 2.868 N/A ILE 136.A N VAL 163.A O no hydrogen 2.991 N/A THR 138.A N THR 164.A O no hydrogen 2.859 N/A GLU 140.A N GLU 137.A O no hydrogen 2.976 N/A LEU 141.A N GLU 137.A O no hydrogen 3.015 N/A LYS 142.A N THR 138.A O no hydrogen 2.854 N/A ASP 143.A N LEU 141.A O no hydrogen 2.683 N/A ALA 145.A N ASP 143.A OD1.B no hydrogen 3.409 N/A ILE 147.A N ASP 143.A O no hydrogen 2.901 N/A ARG 148.A N GLU 144.A O no hydrogen 2.996 N/A ARG 148.A NE GLU 144.A OE2 no hydrogen 3.239 N/A ARG 148.A NH1 GLU 183.A OE1 no hydrogen 3.308 N/A ARG 148.A NH2 GLU 144.A OE2 no hydrogen 2.772 N/A ARG 148.A NH2 GLU 183.A OE1 no hydrogen 2.593 N/A LYS 149.A N ALA 145.A O no hydrogen 3.160 N/A LYS 149.A NZ GLU 152.A OE1 no hydrogen 2.855 N/A LYS 149.A NZ GLU 152.A OE2 no hydrogen 3.374 N/A ALA 150.A N LEU 146.A O no hydrogen 2.832 N/A SER 151.A N ILE 147.A O no hydrogen 3.024 N/A SER 151.A OG ILE 147.A O no hydrogen 2.723 N/A GLU 152.A N ARG 148.A O no hydrogen 2.849 N/A ILE 153.A N LYS 149.A O no hydrogen 2.927 N/A SER 154.A N ALA 150.A O no hydrogen 3.049 N/A SER 154.A OG ALA 150.A O no hydrogen 2.836 N/A ILE 155.A N SER 151.A O no hydrogen 2.968 N/A LYS 156.A N GLU 152.A O no hydrogen 2.900 N/A LYS 156.A NZ GLU 152.A OE1 no hydrogen 3.427 N/A ALA 157.A N ILE 153.A O no hydrogen 2.775 N/A GLY 158.A N ILE 155.A O no hydrogen 3.006 N/A ALA 159.A N SER 154.A O no hydrogen 2.981 N/A ASP 160.A N LEU 132.A O no hydrogen 2.755 N/A HIS 161.A N LEU 132.A O no hydrogen 3.395 N/A ILE 162.A N GLY 195.A O no hydrogen 2.938 N/A VAL 163.A N VAL 134.A O no hydrogen 2.840 N/A THR 164.A N ILE 197.A O no hydrogen 3.042 N/A THR 164.A OG1 SER 165.A OG no hydrogen 2.817 N/A THR 164.A OG1 ALA 199.A O no hydrogen 3.083 N/A SER 165.A OG THR 164.A OG1 no hydrogen 2.817 N/A SER 165.A OG ALA 199.A O no hydrogen 3.029 N/A THR 166.A N GLU 137.A OE1 no hydrogen 3.122 N/A THR 166.A OG1 GLU 137.A OE2 no hydrogen 2.674 N/A LYS 168.A N THR 166.A OG1 no hydrogen 3.033 N/A LYS 168.A NZ TYR 45.A OH no hydrogen 3.554 N/A ALA 173.A N ALA 199.A O no hydrogen 3.091 N/A ALA 173.A N GLY 200.A O no hydrogen 3.223 N/A THR 174.A OG1 GLU 176.A OE1 no hydrogen 3.196 N/A THR 174.A OG1 SER 177.A OG no hydrogen 3.153 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.768 N/A SER 177.A N THR 174.A OG1 no hydrogen 2.910 N/A SER 177.A OG THR 174.A OG1 no hydrogen 3.153 N/A ALA 178.A N THR 174.A O no hydrogen 2.977 N/A ARG 179.A N PRO 175.A O no hydrogen 2.973 N/A ARG 179.A NH1 GLU 217.A OE2 no hydrogen 3.450 N/A ARG 179.A NH2 GLU 217.A OE1 no hydrogen 3.459 N/A ILE 180.A N GLU 176.A O no hydrogen 2.923 N/A MET 181.A N SER 177.A O no hydrogen 2.987 N/A MET 182.A N ALA 178.A O no hydrogen 2.887 N/A GLU 183.A N ARG 179.A O no hydrogen 2.806 N/A VAL 184.A N ILE 180.A O no hydrogen 3.069 N/A ILE 185.A N MET 181.A O no hydrogen 3.192 N/A ARG 186.A N MET 182.A O no hydrogen 2.960 N/A ARG 186.A NE ASP 187.A OD1 no hydrogen 3.274 N/A ARG 186.A NH1 ASP 187.A OD1 no hydrogen 2.937 N/A ASP 187.A N GLU 183.A O no hydrogen 2.705 N/A MET 188.A N VAL 184.A O no hydrogen 2.993 N/A GLY 189.A N ARG 186.A O no hydrogen 2.811 N/A VAL 190.A N ILE 185.A O no hydrogen 3.015 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.687 N/A THR 193.A N VAL 190.A O no hydrogen 3.095 N/A THR 193.A OG1 VAL 190.A O no hydrogen 3.515 N/A VAL 194.A N VAL 190.A O no hydrogen 2.888 N/A GLY 195.A N ASP 160.A O no hydrogen 2.933 N/A PHE 196.A N HIS 228.A O no hydrogen 2.804 N/A ILE 197.A N ILE 162.A O no hydrogen 2.929 N/A ALA 199.A N THR 164.A OG1 no hydrogen 3.005 N/A ARG 203.A N GLU 207.A OE1 no hydrogen 2.786 N/A THR 204.A N GLU 207.A OE1 no hydrogen 3.158 N/A THR 204.A OG1 GLU 206.A OE1 no hydrogen 3.528 N/A ALA 205.A N SER 239.A OG no hydrogen 2.913 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.739 N/A GLU 207.A N THR 204.A OG1 no hydrogen 3.008 N/A ALA 208.A N THR 204.A O no hydrogen 3.144 N/A GLN 209.A N ALA 205.A O no hydrogen 3.023 N/A LYS 210.A N GLU 206.A O no hydrogen 3.157 N/A TYR 211.A N GLU 207.A O no hydrogen 3.281 N/A LEU 212.A N ALA 208.A O no hydrogen 2.972 N/A ALA 213.A N GLN 209.A O no hydrogen 2.617 N/A ILE 214.A N LYS 210.A O no hydrogen 2.773 N/A ALA 215.A N TYR 211.A O no hydrogen 3.384 N/A ASP 216.A N LEU 212.A O no hydrogen 2.993 N/A GLU 217.A N ALA 213.A O no hydrogen 3.239 N/A LEU 218.A N ILE 214.A O no hydrogen 3.057 N/A PHE 219.A N ALA 215.A O no hydrogen 3.009 N/A GLY 220.A N ASP 216.A O no hydrogen 2.805 N/A TRP 223.A N GLY 220.A O no hydrogen 3.219 N/A TRP 223.A NE1 GLU 191.A O no hydrogen 2.708 N/A ASP 225.A N TRP 223.A O no hydrogen 2.609 N/A ARG 227.A NH1 ASP 160.A O no hydrogen 3.030 N/A ARG 227.A NH1 ARG 227.A O no hydrogen 3.064 N/A ARG 227.A NH2 THR 193.A O no hydrogen 2.991 N/A HIS 228.A N ASP 225.A O no hydrogen 2.773 N/A HIS 228.A N ASP 225.A OD1 no hydrogen 3.121 N/A HIS 228.A ND1 ASP 225.A OD1 no hydrogen 2.629 N/A HIS 228.A NE2 LYS 192.A O no hydrogen 2.801 N/A TYR 229.A N ASP 225.A O no hydrogen 2.890 N/A ALA 230.A N PHE 196.A O no hydrogen 3.463 N/A PHE 231.A N LEU 13.A O no hydrogen 3.308 N/A GLY 232.A N PRO 198.A O no hydrogen 3.237 N/A ALA 233.A N HIS 15.A O no hydrogen 3.492 N/A SER 235.A N SER 234.A OG no hydrogen 2.774 N/A LEU 237.A N SER 234.A O no hydrogen 3.184 N/A SER 239.A N SER 235.A O no hydrogen 3.491 N/A LEU 240.A N LEU 236.A O no hydrogen 2.840 N/A LEU 241.A N LEU 237.A O no hydrogen 2.899 N/A LYS 242.A N ALA 238.A O no hydrogen 2.935 N/A ALA 243.A N SER 239.A O no hydrogen 3.020 N/A LEU 244.A N LEU 241.A O no hydrogen 2.865 N/A GLY 245.A N LYS 242.A O no hydrogen 2.923 N/A HIS 246.A N LEU 241.A O no hydrogen 2.922 N/A