Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6u5i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG LEU 3.A O no hydrogen 3.370 N/A LEU 3.A N SER 1.A OG no hydrogen 3.105 N/A ARG 4.A N GLU 240.A O no hydrogen 3.373 N/A ARG 4.A NE ILE 239.A O no hydrogen 2.938 N/A ARG 4.A NH2 ILE 239.A O no hydrogen 3.020 N/A THR 6.A OG1 GLU 240.A OE2 no hydrogen 2.709 N/A LYS 7.A N SER 5.A OG no hydrogen 2.868 N/A GLY 8.A N GLY 32.A O no hydrogen 2.745 N/A LEU 9.A N THR 6.A O no hydrogen 2.965 N/A VAL 10.A N ASP 84.A OD2 no hydrogen 3.081 N/A ALA 11.A N LYS 34.A O no hydrogen 2.706 N/A LEU 12.A N VAL 85.A O no hydrogen 2.892 N/A VAL 13.A N ALA 36.A O no hydrogen 2.862 N/A THR 14.A N VAL 87.A O no hydrogen 2.964 N/A THR 14.A OG1 VAL 87.A O no hydrogen 3.564 N/A ALA 17.A N ASP 39.A OD2 no hydrogen 3.040 N/A SER 18.A N GLY 15.A O no hydrogen 3.246 N/A ARG 22.A N SER 18.A O no hydrogen 2.969 N/A ARG 22.A NE GLU 26.A OE2 no hydrogen 2.882 N/A ARG 22.A NH2 GLU 26.A OE2 no hydrogen 3.482 N/A ARG 22.A NH2 GLU 51.A OE1 no hydrogen 2.898 N/A GLY 23.A N GLY 19.A O no hydrogen 2.908 N/A ALA 24.A N LEU 20.A O no hydrogen 2.799 N/A ALA 25.A N GLY 21.A O no hydrogen 2.860 N/A GLU 26.A N ARG 22.A O no hydrogen 2.898 N/A ASN 27.A N GLY 23.A O no hydrogen 3.080 N/A LEU 28.A N ALA 24.A O no hydrogen 3.025 N/A LEU 29.A N ALA 25.A O no hydrogen 2.980 N/A LYS 30.A N GLU 26.A O no hydrogen 2.923 N/A HIS 31.A N ASN 27.A O no hydrogen 3.191 N/A HIS 31.A N LEU 28.A O no hydrogen 3.107 N/A HIS 31.A ND1 ASN 27.A O no hydrogen 2.786 N/A GLY 32.A N LEU 29.A O no hydrogen 3.069 N/A ALA 33.A N LEU 28.A O no hydrogen 2.874 N/A LYS 34.A N LEU 9.A O no hydrogen 2.770 N/A VAL 35.A N ASP 55.A O no hydrogen 3.050 N/A ALA 36.A N ALA 11.A O no hydrogen 2.823 N/A ILE 37.A N ILE 57.A O no hydrogen 2.851 N/A LEU 38.A N VAL 13.A O no hydrogen 2.873 N/A LEU 40.A N ASP 39.A OD1 no hydrogen 2.645 N/A SER 43.A N LEU 40.A O no hydrogen 2.755 N/A SER 43.A OG LEU 40.A O no hydrogen 2.640 N/A GLY 45.A N SER 43.A OG no hydrogen 3.175 N/A VAL 48.A N ALA 44.A O no hydrogen 2.922 N/A ALA 49.A N GLY 45.A O no hydrogen 2.898 N/A LYS 50.A N ALA 46.A O no hydrogen 3.040 N/A GLU 51.A N GLU 47.A O no hydrogen 2.934 N/A LEU 52.A N VAL 48.A O no hydrogen 3.030 N/A GLY 53.A N ALA 49.A O no hydrogen 3.193 N/A GLY 53.A N LYS 50.A O no hydrogen 3.094 N/A CYS 56.A N GLY 53.A O no hydrogen 3.067 N/A CYS 56.A SG VAL 35.A O no hydrogen 3.645 N/A CYS 56.A SG ILE 57.A O no hydrogen 3.909 N/A ILE 57.A N VAL 35.A O no hydrogen 3.067 N/A THR 59.A N ILE 37.A O no hydrogen 2.873 N/A THR 59.A OG1 ILE 37.A O no hydrogen 3.524 N/A ALA 61.A N ASP 39.A O no hydrogen 3.048 N/A SER 62.A N GLU 68.A OE1 no hydrogen 2.903 N/A SER 62.A OG THR 64.A OG1 no hydrogen 2.784 N/A THR 64.A N SER 62.A OG no hydrogen 3.373 N/A THR 64.A OG1 SER 62.A OG no hydrogen 2.784 N/A ALA 65.A N SER 62.A O no hydrogen 2.928 N/A VAL 69.A N ALA 65.A O no hydrogen 3.000 N/A LYS 70.A N ALA 66.A O no hydrogen 2.974 N/A SER 71.A N SER 67.A O no hydrogen 3.027 N/A ALA 72.A N GLU 68.A O no hydrogen 2.834 N/A LEU 73.A N VAL 69.A O no hydrogen 2.943 N/A ALA 74.A N LYS 70.A O no hydrogen 2.953 N/A ASP 75.A N SER 71.A O no hydrogen 3.036 N/A VAL 76.A N ALA 72.A O no hydrogen 3.023 N/A LYS 77.A N LEU 73.A O no hydrogen 3.000 N/A LYS 77.A NZ GLU 136.A OE1 no hydrogen 2.572 N/A LYS 78.A N ALA 74.A O no hydrogen 2.845 N/A LYS 79.A N ASP 75.A O no hydrogen 2.890 N/A PHE 80.A N VAL 76.A O no hydrogen 2.809 N/A GLY 81.A N LYS 77.A O no hydrogen 2.757 N/A ARG 82.A NE ASP 84.A OD1 no hydrogen 3.133 N/A ARG 82.A NE ASP 84.A OD2 no hydrogen 3.207 N/A ARG 82.A NH2 ASP 84.A OD1 no hydrogen 2.842 N/A ASP 84.A N VAL 10.A O no hydrogen 2.833 N/A VAL 85.A N VAL 10.A O no hydrogen 3.143 N/A ALA 86.A N VAL 147.A O no hydrogen 3.011 N/A VAL 87.A N LEU 12.A O no hydrogen 2.761 N/A ASN 88.A N ILE 149.A O no hydrogen 2.736 N/A CYS 89.A N THR 14.A OG1 no hydrogen 2.851 N/A CYS 89.A SG THR 151.A OG1 no hydrogen 3.711 N/A CYS 89.A SG TYR 231.A OH no hydrogen 3.676 N/A ALA 90.A N THR 14.A OG1 no hydrogen 2.969 N/A ILE 92.A N ASN 119.A OD1 no hydrogen 2.822 N/A PHE 96.A N GLY 162.A O no hydrogen 2.836 N/A ASN 100.A N LYS 105.A O no hydrogen 2.928 N/A LYS 103.A N ASN 100.A OD1 no hydrogen 2.714 N/A LYS 105.A N ASN 100.A O no hydrogen 3.277 N/A CYS 107.A N LEU 98.A O no hydrogen 2.791 N/A CYS 107.A SG LEU 98.A O no hydrogen 3.550 N/A GLU 110.A N ASP 108.A OD1 no hydrogen 3.119 N/A SER 111.A N ASP 108.A O no hydrogen 2.931 N/A SER 111.A OG ASP 108.A OD2 no hydrogen 3.424 N/A VAL 112.A N LEU 109.A O no hydrogen 2.959 N/A ARG 113.A N LEU 109.A O no hydrogen 3.305 N/A ARG 113.A NE GLU 110.A OE1 no hydrogen 2.709 N/A ARG 113.A NE GLU 110.A OE2 no hydrogen 3.228 N/A ARG 113.A NH2 GLU 110.A OE2 no hydrogen 2.902 N/A LYS 114.A N GLU 110.A O no hydrogen 2.940 N/A THR 115.A N SER 111.A O no hydrogen 3.154 N/A THR 115.A OG1 SER 111.A O no hydrogen 2.824 N/A LEU 116.A N VAL 112.A O no hydrogen 2.966 N/A ASP 117.A N ARG 113.A O no hydrogen 2.810 N/A VAL 118.A N LYS 114.A O no hydrogen 2.951 N/A ASN 119.A N THR 115.A O no hydrogen 2.836 N/A ASN 119.A ND2 ILE 92.A O no hydrogen 2.928 N/A ASN 119.A ND2 SER 169.A OG no hydrogen 3.019 N/A VAL 120.A N LEU 116.A O no hydrogen 2.953 N/A MET 121.A N LEU 116.A O no hydrogen 2.960 N/A GLY 122.A N ASP 117.A O no hydrogen 2.917 N/A TYR 123.A OH THR 151.A O no hydrogen 2.717 N/A PHE 124.A N VAL 120.A O no hydrogen 2.977 N/A THR 125.A N MET 121.A O no hydrogen 2.799 N/A THR 125.A OG1 MET 121.A O no hydrogen 2.900 N/A VAL 126.A N GLY 122.A O no hydrogen 2.964 N/A ALA 127.A N TYR 123.A O no hydrogen 2.868 N/A ALA 128.A N PHE 124.A O no hydrogen 2.954 N/A HIS 129.A N THR 125.A O no hydrogen 3.123 N/A ALA 130.A N VAL 126.A O no hydrogen 2.783 N/A ALA 131.A N ALA 127.A O no hydrogen 2.882 N/A GLU 132.A N ALA 128.A O no hydrogen 3.087 N/A LEU 133.A N HIS 129.A O no hydrogen 3.250 N/A PHE 134.A N ALA 130.A O no hydrogen 2.839 N/A ALA 135.A N ALA 131.A O no hydrogen 2.980 N/A GLU 136.A N LEU 133.A O no hydrogen 3.042 N/A ASN 137.A N PHE 134.A O no hydrogen 2.772 N/A LYS 139.A NZ ASP 186.A O no hydrogen 2.969 N/A ASP 140.A N GLN 144.A O no hydrogen 2.834 N/A MET 142.A N ASP 140.A OD1 no hydrogen 2.945 N/A GLY 143.A N ASP 140.A O no hydrogen 2.903 N/A GLN 144.A N ASP 140.A OD1 no hydrogen 2.767 N/A GLN 144.A NE2 MET 142.A O no hydrogen 2.885 N/A ARG 145.A N GLY 188.A O no hydrogen 2.690 N/A ARG 145.A NE ASN 137.A O no hydrogen 2.942 N/A ARG 145.A NH1 ASP 187.A O no hydrogen 3.041 N/A GLY 146.A N GLY 188.A O no hydrogen 3.255 N/A VAL 147.A N ASP 84.A O no hydrogen 3.157 N/A ILE 148.A N ARG 190.A O no hydrogen 2.840 N/A ILE 149.A N ALA 86.A O no hydrogen 2.835 N/A ASN 150.A N VAL 192.A O no hydrogen 2.865 N/A ASN 150.A ND2 THR 193.A OG1 no hydrogen 3.383 N/A THR 151.A N ASN 88.A O no hydrogen 2.953 N/A THR 151.A OG1 ASN 88.A O no hydrogen 2.946 N/A THR 151.A OG1 TYR 231.A OH no hydrogen 2.511 N/A ALA 152.A N ILE 194.A O no hydrogen 2.759 N/A ILE 154.A N PRO 196.A O no hydrogen 3.078 N/A ALA 155.A N SER 153.A OG no hydrogen 2.954 N/A ALA 156.A N SER 153.A O no hydrogen 2.961 N/A PHE 157.A N ILE 154.A O no hydrogen 2.795 N/A ASP 158.A N ILE 154.A O no hydrogen 2.655 N/A GLN 160.A N GLN 163.A OE1 no hydrogen 2.881 N/A GLN 160.A NE2 PRO 258.A O no hydrogen 3.113 N/A GLN 163.A N GLN 160.A O no hydrogen 3.047 N/A SER 167.A N GLN 163.A O no hydrogen 2.688 N/A SER 167.A OG ALA 155.A O no hydrogen 2.897 N/A SER 167.A OG GLN 163.A O no hydrogen 2.941 N/A ALA 168.A N SER 164.A O no hydrogen 2.828 N/A SER 169.A N ALA 165.A O no hydrogen 2.988 N/A SER 169.A OG TYR 166.A O no hydrogen 2.819 N/A LYS 170.A N TYR 166.A O no hydrogen 2.932 N/A LYS 170.A NZ THR 151.A O no hydrogen 3.098 N/A GLY 171.A N SER 167.A O no hydrogen 2.664 N/A ALA 172.A N ALA 168.A O no hydrogen 2.820 N/A ILE 173.A N SER 169.A O no hydrogen 3.282 N/A VAL 174.A N LYS 170.A O no hydrogen 3.054 N/A GLY 175.A N GLY 171.A O no hydrogen 2.940 N/A MET 176.A N ALA 172.A O no hydrogen 2.970 N/A THR 177.A N VAL 174.A O no hydrogen 3.162 N/A THR 177.A OG1 ILE 173.A O no hydrogen 2.867 N/A THR 177.A OG1 VAL 174.A O no hydrogen 3.345 N/A THR 177.A OG1 THR 193.A OG1 no hydrogen 2.553 N/A LEU 180.A N MET 176.A O no hydrogen 3.155 N/A ALA 181.A N THR 177.A O no hydrogen 3.007 N/A ARG 182.A N LEU 178.A O no hydrogen 2.859 N/A ASP 183.A N PRO 179.A O no hydrogen 2.674 N/A PHE 184.A N LEU 180.A O no hydrogen 3.068 N/A ALA 185.A N ARG 182.A O no hydrogen 3.207 N/A ASP 187.A N PHE 184.A O no hydrogen 2.958 N/A GLY 188.A N ALA 185.A O no hydrogen 3.326 N/A ILE 189.A N PHE 184.A O no hydrogen 3.271 N/A ARG 190.A N GLY 146.A O no hydrogen 3.144 N/A ARG 190.A NH1 ILE 238.A O no hydrogen 2.997 N/A ARG 190.A NH1 LEU 244.A O no hydrogen 2.786 N/A ARG 190.A NH2 ILE 238.A O no hydrogen 2.918 N/A VAL 191.A N ASN 245.A OD1 no hydrogen 2.869 N/A VAL 192.A N ILE 148.A O no hydrogen 2.976 N/A THR 193.A N GLU 247.A O no hydrogen 2.965 N/A THR 193.A OG1 THR 177.A OG1 no hydrogen 2.553 N/A ILE 194.A N ASN 150.A O no hydrogen 2.845 N/A ALA 195.A N ILE 249.A O no hydrogen 2.679 N/A GLY 197.A N LEU 251.A O no hydrogen 2.744 N/A ASP 200.A N GLY 226.A O no hydrogen 2.901 N/A MET 203.A N THR 201.A OG1 no hydrogen 3.155 N/A MET 204.A N THR 201.A O no hydrogen 2.950 N/A ALA 205.A N PRO 202.A O no hydrogen 2.997 N/A PHE 207.A N MET 204.A O no hydrogen 3.403 N/A ARG 212.A N PRO 208.A O no hydrogen 3.039 N/A ARG 212.A NH1 ASP 200.A OD1 no hydrogen 3.435 N/A ARG 212.A NH2 ASP 200.A OD2 no hydrogen 3.442 N/A ASN 213.A N ASP 209.A O no hydrogen 2.923 N/A PHE 214.A N LYS 210.A O no hydrogen 3.074 N/A LEU 215.A N VAL 211.A O no hydrogen 2.935 N/A ILE 216.A N ARG 212.A O no hydrogen 2.886 N/A GLY 217.A N ASN 213.A O no hydrogen 2.927 N/A LEU 218.A N LEU 215.A O no hydrogen 3.030 N/A VAL 219.A N ILE 216.A O no hydrogen 3.008 N/A ASN 221.A N GLY 253.A O no hydrogen 3.164 N/A LYS 223.A NZ VAL 219.A O no hydrogen 2.811 N/A ARG 224.A N PRO 222.A O no hydrogen 2.856 N/A ARG 224.A NH1 PHE 225.A O no hydrogen 3.157 N/A ARG 224.A NH1 GLU 230.A OE1 no hydrogen 3.446 N/A ARG 224.A NH1 GLU 230.A OE2 no hydrogen 2.737 N/A ARG 224.A NH2 GLU 230.A OE1 no hydrogen 2.681 N/A GLY 226.A N ILE 198.A O no hydrogen 2.867 N/A VAL 227.A N GLU 230.A OE2 no hydrogen 2.956 N/A GLU 230.A N VAL 227.A O no hydrogen 2.960 N/A TYR 231.A OH THR 151.A OG1 no hydrogen 2.511 N/A GLY 232.A N PRO 228.A O no hydrogen 2.968 N/A ALA 233.A N GLU 229.A O no hydrogen 2.745 N/A LEU 234.A N GLU 230.A O no hydrogen 3.198 N/A VAL 235.A N TYR 231.A O no hydrogen 2.944 N/A ARG 236.A N GLY 232.A O no hydrogen 2.938 N/A ARG 236.A NE ASN 27.A OD1 no hydrogen 3.162 N/A ARG 236.A NH1 GLU 240.A OE2 no hydrogen 2.785 N/A HIS 237.A N ALA 233.A O no hydrogen 2.931 N/A ILE 238.A N LEU 234.A O no hydrogen 3.041 N/A ILE 239.A N VAL 235.A O no hydrogen 3.036 N/A GLU 240.A N ARG 236.A O no hydrogen 2.944 N/A GLU 240.A N HIS 237.A O no hydrogen 3.111 N/A ASN 241.A N HIS 237.A O no hydrogen 2.765 N/A ASN 241.A ND2 HIS 237.A NE2 no hydrogen 3.202 N/A TYR 243.A N ASN 241.A OD1 no hydrogen 3.365 N/A LEU 244.A N ASN 241.A O no hydrogen 3.295 N/A GLY 246.A N VAL 191.A O no hydrogen 2.786 N/A VAL 248.A N GLU 247.A OE1 no hydrogen 2.859 N/A ILE 249.A N THR 193.A O no hydrogen 2.815 N/A ARG 250.A NE ASP 252.A OD2 no hydrogen 2.745 N/A ARG 250.A NH1 ASP 158.A OD1 no hydrogen 3.177 N/A ARG 250.A NH1 ASP 158.A OD2 no hydrogen 3.562 N/A ARG 250.A NH2 ASP 158.A OD2 no hydrogen 2.699 N/A ARG 250.A NH2 ASP 252.A OD2 no hydrogen 2.922 N/A LEU 251.A N ALA 195.A O no hydrogen 2.966 N/A ALA 254.A N ASP 252.A OD1 no hydrogen 2.971 N/A LEU 255.A N ASP 252.A O no hydrogen 2.984 N/A ARG 256.A NH1 LEU 255.A O no hydrogen 2.890 N/A MET 257.A N ASP 158.A OD2 no hydrogen 3.299 N/A