Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nqv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG LEU 1.A O no hydrogen 3.010 N/A SER 5.A N LEU 1.A O no hydrogen 2.950 N/A SER 5.A OG LEU 1.A O no hydrogen 2.517 N/A LEU 6.A N LYS 2.A O no hydrogen 2.964 N/A ARG 7.A N ALA 3.A O no hydrogen 3.040 N/A ARG 7.A NH1 ASP 215.A OD1 no hydrogen 3.293 N/A ARG 7.A NH1 ASP 215.A OD2 no hydrogen 2.929 N/A ARG 7.A NH2 ASP 215.A OD1 no hydrogen 2.788 N/A ALA 8.A N SER 4.A O no hydrogen 2.804 N/A LEU 9.A N SER 5.A O no hydrogen 2.957 N/A LYS 10.A N LEU 6.A O no hydrogen 3.112 N/A LEU 11.A N ALA 8.A O no hydrogen 2.943 N/A MET 12.A N LEU 9.A O no hydrogen 3.127 N/A HIS 13.A N PHE 230.A O no hydrogen 2.823 N/A LEU 14.A N ALA 39.A O no hydrogen 2.938 N/A ALA 15.A N ALA 232.A O no hydrogen 2.962 N/A THR 19.A OG1 ASN 22.A OD1 no hydrogen 2.823 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.773 N/A ASN 22.A N THR 19.A OG1 no hydrogen 2.971 N/A VAL 23.A N THR 19.A O no hydrogen 2.859 N/A ILE 24.A N ASP 20.A O no hydrogen 2.998 N/A ALA 25.A N GLU 21.A O no hydrogen 3.135 N/A LEU 26.A N ASN 22.A O no hydrogen 2.896 N/A CYS 27.A N VAL 23.A O no hydrogen 2.914 N/A CYS 27.A SG VAL 23.A O no hydrogen 3.304 N/A CYS 27.A SG ALA 50.A O no hydrogen 3.818 N/A HIS 28.A N ILE 24.A O no hydrogen 3.096 N/A HIS 28.A ND1 GLN 57.A OE1 no hydrogen 2.804 N/A GLN 29.A N ALA 25.A O no hydrogen 2.830 N/A GLN 29.A NE2 SER 234.A OG no hydrogen 2.970 N/A ALA 30.A N LEU 26.A O no hydrogen 2.971 N/A LYS 31.A N HIS 28.A O no hydrogen 3.184 N/A LYS 31.A NZ GLN 57.A O no hydrogen 2.612 N/A THR 32.A N GLY 35.A O no hydrogen 2.920 N/A THR 32.A OG1 GLY 35.A O no hydrogen 2.737 N/A VAL 34.A N THR 32.A OG1 no hydrogen 3.082 N/A GLY 35.A N THR 32.A O no hydrogen 3.148 N/A ASN 36.A ND2 GLU 61.A OE1 no hydrogen 2.931 N/A THR 37.A N ALA 30.A O no hydrogen 3.056 N/A THR 37.A OG1 ALA 39.A O no hydrogen 3.055 N/A ASP 38.A N MET 12.A O no hydrogen 2.975 N/A ALA 39.A N MET 12.A O no hydrogen 3.202 N/A ILE 40.A N ARG 63.A O no hydrogen 2.878 N/A PHE 41.A N LEU 14.A O no hydrogen 2.742 N/A ILE 42.A N CYS 65.A O no hydrogen 3.098 N/A TYR 43.A N ASP 18.A OD2 no hydrogen 2.789 N/A PHE 46.A N TYR 43.A O no hydrogen 3.113 N/A ILE 47.A N PRO 44.A O no hydrogen 2.988 N/A ALA 50.A N PHE 46.A O no hydrogen 3.048 N/A ARG 51.A N ILE 47.A O no hydrogen 2.881 N/A ARG 51.A NH1 ASP 93.A OD2 no hydrogen 2.988 N/A ARG 51.A NH2 GLY 91.A O no hydrogen 2.690 N/A ARG 51.A NH2 ASP 93.A OD1 no hydrogen 3.360 N/A ARG 51.A NH2 ASP 93.A OD2 no hydrogen 3.106 N/A LYS 52.A N PRO 48.A O no hydrogen 3.167 N/A LYS 52.A NZ GLU 56.A OE1 no hydrogen 3.463 N/A LYS 52.A NZ GLU 56.A OE2 no hydrogen 3.240 N/A THR 53.A N ILE 49.A O no hydrogen 3.002 N/A THR 53.A OG1 ILE 49.A O no hydrogen 2.807 N/A LEU 54.A N ALA 50.A O no hydrogen 2.832 N/A LYS 55.A N ARG 51.A O no hydrogen 2.956 N/A GLU 56.A N LYS 52.A O no hydrogen 2.847 N/A GLN 57.A N THR 53.A O no hydrogen 3.158 N/A GLN 57.A NE2 CYS 27.A O no hydrogen 3.055 N/A GLN 57.A NE2 THR 59.A OG1 no hydrogen 2.753 N/A GLY 58.A N LYS 55.A O no hydrogen 2.914 N/A THR 59.A N LEU 54.A O no hydrogen 2.980 N/A THR 59.A OG1 LEU 54.A O no hydrogen 3.405 N/A GLU 61.A N GLU 61.A OE2 no hydrogen 2.733 N/A ILE 62.A N THR 59.A O no hydrogen 3.175 N/A ARG 63.A N ASP 38.A O no hydrogen 2.855 N/A ILE 64.A N ASP 93.A OD2 no hydrogen 2.717 N/A CYS 65.A N ILE 40.A O no hydrogen 2.845 N/A THR 66.A N SER 94.A O no hydrogen 3.061 N/A THR 66.A OG1 ILE 42.A O no hydrogen 2.680 N/A SER 67.A N THR 66.A OG1 no hydrogen 2.790 N/A SER 67.A OG ALA 96.A O no hydrogen 2.627 N/A THR 68.A N ALA 96.A O no hydrogen 3.022 N/A THR 68.A OG1 THR 84.A OG1 no hydrogen 2.967 N/A ASN 69.A N GLU 83.A OE1 no hydrogen 2.731 N/A ASN 69.A ND2 ASN 74.A O no hydrogen 2.896 N/A ASN 69.A ND2 VAL 98.A O no hydrogen 2.841 N/A GLY 73.A N ASN 69.A O no hydrogen 2.912 N/A ILE 79.A N ASP 76.A OD1 no hydrogen 3.054 N/A ALA 80.A N ASP 76.A O no hydrogen 3.096 N/A LEU 81.A N ILE 77.A O no hydrogen 2.760 N/A ALA 82.A N ASP 78.A O no hydrogen 2.925 N/A GLU 83.A N ILE 79.A O no hydrogen 2.924 N/A THR 84.A N ALA 80.A O no hydrogen 2.927 N/A THR 84.A OG1 THR 68.A OG1 no hydrogen 2.967 N/A THR 84.A OG1 ALA 80.A O no hydrogen 2.862 N/A ARG 85.A N LEU 81.A O no hydrogen 2.857 N/A ALA 86.A N ALA 82.A O no hydrogen 2.972 N/A ALA 87.A N GLU 83.A O no hydrogen 2.898 N/A ILE 88.A N THR 84.A O no hydrogen 2.931 N/A ALA 89.A N ARG 85.A O no hydrogen 3.038 N/A TYR 90.A N ALA 86.A O no hydrogen 2.900 N/A GLY 91.A N ALA 87.A O no hydrogen 3.317 N/A GLY 91.A N ILE 88.A O no hydrogen 3.006 N/A ALA 92.A N ALA 87.A O no hydrogen 3.162 N/A ASP 93.A N ILE 64.A O no hydrogen 2.882 N/A SER 94.A OG LEU 129.A O no hydrogen 3.526 N/A VAL 95.A N LEU 129.A O no hydrogen 2.872 N/A ALA 96.A N THR 66.A O no hydrogen 2.772 N/A VAL 97.A N ALA 131.A O no hydrogen 2.802 N/A VAL 98.A N THR 68.A O no hydrogen 2.978 N/A PHE 99.A N ILE 133.A O no hydrogen 2.840 N/A TYR 101.A N PHE 99.A O no hydrogen 2.851 N/A ARG 102.A NH1 HIS 72.A O no hydrogen 2.783 N/A ARG 102.A NH2 HIS 72.A O no hydrogen 3.112 N/A LEU 104.A N PRO 100.A O no hydrogen 3.125 N/A MET 105.A N TYR 101.A O no hydrogen 2.868 N/A ALA 106.A N ARG 102.A O no hydrogen 2.962 N/A ALA 106.A N ALA 103.A O no hydrogen 3.017 N/A GLY 107.A N LEU 104.A O no hydrogen 2.743 N/A ASN 108.A N ALA 103.A O no hydrogen 2.912 N/A GLN 110.A NE2 ASP 114.A OD1 no hydrogen 2.959 N/A GLN 110.A NE2 ASP 114.A OD2 no hydrogen 3.440 N/A VAL 111.A N ASN 108.A OD1 no hydrogen 3.065 N/A PHE 113.A N GLU 109.A O no hydrogen 3.468 N/A ASP 114.A N GLN 110.A O no hydrogen 2.918 N/A LEU 115.A N VAL 111.A O no hydrogen 2.869 N/A VAL 116.A N GLY 112.A O no hydrogen 3.049 N/A LYS 117.A N PHE 113.A O no hydrogen 2.905 N/A ALA 118.A N ASP 114.A O no hydrogen 3.006 N/A CYS 119.A N LEU 115.A O no hydrogen 3.144 N/A CYS 119.A SG THR 84.A OG1 no hydrogen 3.471 N/A CYS 119.A SG LEU 115.A O no hydrogen 3.417 N/A LYS 120.A N VAL 116.A O no hydrogen 2.813 N/A LYS 120.A NZ GLY 156.A O no hydrogen 2.772 N/A LYS 120.A NZ ASP 158.A OD1 no hydrogen 3.348 N/A GLU 121.A N LYS 117.A O no hydrogen 2.924 N/A ALA 122.A N CYS 119.A O no hydrogen 3.113 N/A CYS 123.A N CYS 119.A O no hydrogen 3.012 N/A CYS 123.A SG CYS 119.A O no hydrogen 3.510 N/A ALA 124.A N LYS 120.A O no hydrogen 2.815 N/A ALA 125.A N GLU 121.A O no hydrogen 3.190 N/A ALA 126.A N CYS 123.A O no hydrogen 2.945 N/A ASN 127.A N ALA 124.A O no hydrogen 3.122 N/A VAL 128.A N CYS 123.A O no hydrogen 2.913 N/A LEU 129.A N ASP 93.A O no hydrogen 3.135 N/A LEU 130.A N ASP 158.A OD2 no hydrogen 2.793 N/A ALA 131.A N VAL 95.A O no hydrogen 2.737 N/A VAL 132.A N ASN 159.A O no hydrogen 2.934 N/A ILE 133.A N VAL 97.A O no hydrogen 2.907 N/A ILE 134.A N VAL 161.A O no hydrogen 3.104 N/A THR 136.A N THR 162.A O no hydrogen 2.840 N/A THR 136.A OG1 THR 162.A O no hydrogen 3.318 N/A GLU 138.A N GLU 135.A O no hydrogen 2.954 N/A LEU 139.A N GLU 135.A O no hydrogen 3.041 N/A LYS 140.A N THR 136.A O no hydrogen 2.901 N/A ASP 141.A N LEU 139.A O no hydrogen 2.698 N/A ILE 145.A N ASP 141.A O no hydrogen 2.925 N/A ARG 146.A N GLU 142.A O no hydrogen 2.854 N/A ARG 146.A NE GLU 142.A OE2 no hydrogen 2.803 N/A LYS 147.A N ALA 143.A O no hydrogen 2.927 N/A ALA 148.A N LEU 144.A O no hydrogen 2.889 N/A SER 149.A N ILE 145.A O no hydrogen 3.044 N/A SER 149.A OG ILE 145.A O no hydrogen 2.889 N/A GLU 150.A N ARG 146.A O no hydrogen 2.939 N/A ILE 151.A N LYS 147.A O no hydrogen 2.941 N/A SER 152.A N ALA 148.A O no hydrogen 3.033 N/A SER 152.A OG ALA 148.A O no hydrogen 2.777 N/A ILE 153.A N SER 149.A O no hydrogen 2.948 N/A LYS 154.A N GLU 150.A O no hydrogen 2.795 N/A ALA 155.A N ILE 151.A O no hydrogen 2.943 N/A GLY 156.A N ILE 153.A O no hydrogen 2.883 N/A ALA 157.A N SER 152.A O no hydrogen 2.935 N/A ASP 158.A N LEU 130.A O no hydrogen 2.826 N/A ILE 160.A N GLY 194.A O no hydrogen 2.938 N/A VAL 161.A N VAL 132.A O no hydrogen 2.816 N/A THR 162.A N ILE 196.A O no hydrogen 3.005 N/A THR 162.A OG1 SER 163.A OG no hydrogen 2.887 N/A THR 162.A OG1 VAL 198.A O no hydrogen 3.322 N/A SER 163.A OG THR 162.A OG1 no hydrogen 2.887 N/A THR 164.A N GLU 135.A OE1 no hydrogen 2.937 N/A LYS 167.A N THR 164.A O no hydrogen 3.052 N/A GLU 170.A N LYS 167.A O no hydrogen 3.137 N/A ALA 172.A N VAL 198.A O no hydrogen 2.837 N/A THR 173.A N SER 176.A OG no hydrogen 3.148 N/A THR 173.A OG1 SER 176.A OG no hydrogen 3.221 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.859 N/A SER 176.A N THR 173.A OG1 no hydrogen 2.984 N/A SER 176.A OG THR 173.A O no hydrogen 3.372 N/A SER 176.A OG THR 173.A OG1 no hydrogen 3.221 N/A ALA 177.A N THR 173.A O no hydrogen 2.959 N/A ARG 178.A N PRO 174.A O no hydrogen 2.867 N/A ARG 178.A NH1 GLU 216.A OE2 no hydrogen 3.370 N/A ARG 178.A NH2 GLU 216.A OE1 no hydrogen 3.477 N/A ILE 179.A N GLU 175.A O no hydrogen 2.967 N/A MET 180.A N SER 176.A O no hydrogen 2.935 N/A MET 181.A N ALA 177.A O no hydrogen 2.969 N/A GLU 182.A N ARG 178.A O no hydrogen 2.887 N/A VAL 183.A N ILE 179.A O no hydrogen 3.089 N/A ILE 184.A N MET 180.A O no hydrogen 3.249 N/A ARG 185.A N MET 181.A O no hydrogen 2.950 N/A ARG 185.A NE ASP 186.A OD1 no hydrogen 2.799 N/A ARG 185.A NH2 ASP 186.A OD1 no hydrogen 2.762 N/A ASP 186.A N GLU 182.A O no hydrogen 2.700 N/A MET 187.A N VAL 183.A O no hydrogen 2.815 N/A GLY 188.A N ARG 185.A O no hydrogen 3.045 N/A VAL 189.A N ILE 184.A O no hydrogen 3.083 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.777 N/A THR 192.A N VAL 189.A O no hydrogen 2.908 N/A THR 192.A OG1 VAL 189.A O no hydrogen 3.343 N/A VAL 193.A N VAL 189.A O no hydrogen 2.889 N/A GLY 194.A N ASP 158.A O no hydrogen 3.060 N/A PHE 195.A N HIS 227.A O no hydrogen 2.819 N/A ILE 196.A N ILE 160.A O no hydrogen 2.946 N/A VAL 198.A N THR 162.A OG1 no hydrogen 2.946 N/A GLY 199.A N GLY 231.A O no hydrogen 3.131 N/A ARG 202.A N ASP 206.A OD2 no hydrogen 3.011 N/A THR 203.A N ASP 206.A OD2 no hydrogen 3.126 N/A ALA 204.A N SER 239.A OG no hydrogen 2.765 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.743 N/A ASP 206.A N THR 203.A OG1 no hydrogen 2.876 N/A ALA 207.A N THR 203.A O no hydrogen 3.008 N/A GLN 208.A N ALA 204.A O no hydrogen 2.936 N/A LYS 209.A N GLU 205.A O no hydrogen 3.113 N/A TYR 210.A N ASP 206.A O no hydrogen 3.006 N/A LEU 211.A N ALA 207.A O no hydrogen 3.038 N/A ALA 212.A N GLN 208.A O no hydrogen 3.036 N/A ILE 213.A N LYS 209.A O no hydrogen 3.197 N/A ILE 213.A N TYR 210.A O no hydrogen 3.207 N/A ALA 214.A N TYR 210.A O no hydrogen 3.361 N/A ASP 215.A N LEU 211.A O no hydrogen 2.839 N/A GLU 216.A N ALA 212.A O no hydrogen 2.879 N/A LEU 217.A N ILE 213.A O no hydrogen 2.946 N/A PHE 218.A N ALA 214.A O no hydrogen 2.957 N/A GLY 219.A N ASP 215.A O no hydrogen 2.740 N/A TRP 222.A N GLY 219.A O no hydrogen 3.331 N/A TRP 222.A NE1 GLU 190.A O no hydrogen 2.849 N/A ASP 224.A N TRP 222.A O no hydrogen 2.748 N/A ARG 226.A NH1 ASP 158.A O no hydrogen 3.048 N/A ARG 226.A NH1 ARG 226.A O no hydrogen 2.949 N/A ARG 226.A NH2 ASP 158.A O no hydrogen 3.470 N/A ARG 226.A NH2 THR 192.A O no hydrogen 2.976 N/A HIS 227.A N ASP 224.A O no hydrogen 2.942 N/A HIS 227.A N ASP 224.A OD1 no hydrogen 3.064 N/A HIS 227.A ND1 ASP 224.A OD1 no hydrogen 2.804 N/A HIS 227.A NE2 LYS 191.A O no hydrogen 2.741 N/A TYR 228.A N ASP 224.A O no hydrogen 2.935 N/A ALA 229.A N PHE 195.A O no hydrogen 3.295 N/A PHE 230.A N LEU 11.A O no hydrogen 3.118 N/A GLY 231.A N PRO 197.A O no hydrogen 2.940 N/A ALA 232.A N HIS 13.A O no hydrogen 3.317 N/A SER 233.A OG ALA 15.A O no hydrogen 2.655 N/A SER 233.A OG THR 16.A O no hydrogen 3.076 N/A LEU 237.A N SER 233.A O no hydrogen 3.171 N/A ALA 238.A N SER 234.A O no hydrogen 2.828 N/A SER 239.A N SER 235.A O no hydrogen 3.130 N/A LEU 240.A N LEU 236.A O no hydrogen 2.946 N/A LEU 241.A N LEU 237.A O no hydrogen 2.896 N/A LYS 242.A N ALA 238.A O no hydrogen 2.970 N/A ALA 243.A N SER 239.A O no hydrogen 3.004 N/A LEU 244.A N LEU 240.A O no hydrogen 3.130 N/A LEU 244.A N LEU 241.A O no hydrogen 3.068 N/A GLY 245.A N LYS 242.A O no hydrogen 2.861 N/A HIS 246.A N LEU 241.A O no hydrogen 2.717 N/A