Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tpu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ASP 224.A OD1 no hydrogen 2.862 N/A ARG 1.A NE ASP 224.A OD2 no hydrogen 3.173 N/A ARG 1.A NH1 GLN 199.A O no hydrogen 2.876 N/A ARG 1.A NH2 ASP 224.A OD1 no hydrogen 3.371 N/A PHE 4.A N ASP 224.A O no hydrogen 2.864 N/A VAL 5.A N GLU 35.A O no hydrogen 2.914 N/A GLY 6.A N PHE 226.A O no hydrogen 2.888 N/A GLY 7.A N VAL 37.A O no hydrogen 2.838 N/A ASN 8.A N VAL 228.A O no hydrogen 2.828 N/A TRP 9.A N GLY 39.A O no hydrogen 3.045 N/A LYS 10.A N ASN 8.A OD1 no hydrogen 3.006 N/A LYS 10.A NZ GLU 94.A OE2 no hydrogen 2.793 N/A ASN 12.A ND2 TRP 9.A O no hydrogen 2.863 N/A ASP 14.A N SER 17.A OG no hydrogen 3.122 N/A LYS 16.A NZ GLU 20.A OE2 no hydrogen 2.757 N/A SER 17.A N ASP 14.A OD1 no hydrogen 2.942 N/A SER 17.A OG ASP 14.A O no hydrogen 3.402 N/A SER 17.A OG ASP 14.A OD1 no hydrogen 3.040 N/A LEU 18.A N ASP 14.A O no hydrogen 2.860 N/A GLY 19.A N LYS 15.A O no hydrogen 2.895 N/A GLU 20.A N LYS 16.A O no hydrogen 2.980 N/A LEU 21.A N SER 17.A O no hydrogen 3.051 N/A ILE 22.A N LEU 18.A O no hydrogen 2.923 N/A HIS 23.A N GLY 19.A O no hydrogen 2.971 N/A THR 24.A N GLU 20.A O no hydrogen 2.974 N/A THR 24.A OG1 GLU 20.A O no hydrogen 3.195 N/A LEU 25.A N LEU 21.A O no hydrogen 3.120 N/A ASN 26.A N ILE 22.A O no hydrogen 2.942 N/A ASN 26.A ND2 LYS 51.A O no hydrogen 2.936 N/A GLY 27.A N HIS 23.A O no hydrogen 3.170 N/A GLY 27.A N THR 24.A O no hydrogen 3.162 N/A ALA 28.A N LEU 25.A O no hydrogen 3.400 N/A SER 31.A N ASN 242.A OD1 no hydrogen 2.820 N/A SER 31.A OG THR 34.A OG1 no hydrogen 3.423 N/A ASP 33.A N SER 31.A OG no hydrogen 3.027 N/A THR 34.A N SER 31.A O no hydrogen 3.171 N/A THR 34.A OG1 ILE 241.A O no hydrogen 3.054 N/A GLU 35.A N PHE 3.A O no hydrogen 2.832 N/A VAL 37.A N VAL 5.A O no hydrogen 3.106 N/A CYS 38.A N GLY 57.A O no hydrogen 2.886 N/A GLY 39.A N GLY 7.A O no hydrogen 2.731 N/A ALA 40.A N ALA 59.A O no hydrogen 3.283 N/A TYR 44.A N PRO 41.A O no hydrogen 2.824 N/A LEU 45.A N SER 42.A O no hydrogen 3.133 N/A ALA 48.A N TYR 44.A O no hydrogen 2.794 N/A ARG 49.A N LEU 45.A O no hydrogen 2.919 N/A ARG 49.A NE ARG 49.A O no hydrogen 2.773 N/A ARG 49.A NH1 ILE 56.A O no hydrogen 2.764 N/A ARG 49.A NH2 LEU 52.A O no hydrogen 3.011 N/A ARG 49.A NH2 ASP 53.A O no hydrogen 2.923 N/A ARG 49.A NH2 ILE 56.A O no hydrogen 2.957 N/A GLN 50.A N ASP 46.A O no hydrogen 2.920 N/A GLN 50.A NE2 ASP 46.A OD1 no hydrogen 2.851 N/A LYS 51.A N PHE 47.A O no hydrogen 2.936 N/A LEU 52.A N ALA 48.A O no hydrogen 3.019 N/A ASP 53.A N ASN 26.A OD1 no hydrogen 2.862 N/A LYS 55.A N ASP 53.A OD1 no hydrogen 3.020 N/A LYS 55.A NZ ASP 53.A OD1 no hydrogen 2.877 N/A ILE 56.A N ASP 53.A O no hydrogen 2.899 N/A GLY 57.A N VAL 36.A O no hydrogen 3.074 N/A ALA 59.A N CYS 38.A O no hydrogen 2.859 N/A ALA 60.A N TRP 87.A O no hydrogen 2.890 N/A GLN 61.A NE2 LYS 10.A O no hydrogen 3.091 N/A GLN 61.A NE2 GLY 39.A O no hydrogen 2.989 N/A CYS 63.A SG TYR 64.A O no hydrogen 3.658 N/A TYR 64.A N ILE 75.A O no hydrogen 2.846 N/A GLU 74.A N PHE 71.A O no hydrogen 3.193 N/A SER 76.A OG PRO 67.A O no hydrogen 2.867 N/A MET 79.A N SER 76.A O no hydrogen 3.025 N/A ILE 80.A N SER 76.A O no hydrogen 3.135 N/A LYS 81.A N PRO 77.A O no hydrogen 2.893 N/A LYS 81.A NZ GLU 116.A O no hydrogen 2.962 N/A ASP 82.A N ALA 78.A O no hydrogen 3.012 N/A ILE 83.A N MET 79.A O no hydrogen 3.139 N/A GLY 84.A N LYS 81.A O no hydrogen 2.845 N/A ALA 85.A N ILE 80.A O no hydrogen 3.285 N/A ALA 86.A N VAL 58.A O no hydrogen 3.115 N/A TRP 87.A N VAL 58.A O no hydrogen 3.317 N/A VAL 88.A N GLY 119.A O no hydrogen 3.003 N/A ILE 89.A N ALA 60.A O no hydrogen 2.928 N/A LEU 90.A N ILE 121.A O no hydrogen 2.936 N/A ASN 92.A ND2 GLU 94.A OE1 no hydrogen 3.372 N/A SER 93.A N GLU 162.A OE2 no hydrogen 2.800 N/A ARG 95.A N ASN 92.A OD1 no hydrogen 3.160 N/A ARG 95.A NE GLU 101.A OE2 no hydrogen 2.814 N/A ARG 95.A NH2 GLU 101.A OE2 no hydrogen 3.269 N/A ARG 96.A N ASN 92.A O no hydrogen 3.051 N/A ARG 96.A NE GLY 91.A O no hydrogen 2.742 N/A ARG 96.A NH1 ASP 103.A OD1 no hydrogen 2.867 N/A ARG 96.A NH2 CYS 123.A O no hydrogen 2.816 N/A HIS 97.A N SER 93.A O no hydrogen 2.843 N/A VAL 98.A N GLU 94.A O no hydrogen 2.834 N/A PHE 99.A N GLU 94.A O no hydrogen 3.108 N/A GLU 101.A N ARG 95.A O no hydrogen 2.896 N/A LEU 105.A N SER 102.A OG no hydrogen 3.328 N/A ILE 106.A N SER 102.A O no hydrogen 2.954 N/A GLY 107.A N ASP 103.A O no hydrogen 2.892 N/A GLN 108.A N GLU 104.A O no hydrogen 3.102 N/A LYS 109.A N LEU 105.A O no hydrogen 2.953 N/A LYS 109.A NZ CYS 63.A O no hydrogen 2.943 N/A LYS 109.A NZ GLU 101.A OE1 no hydrogen 2.904 N/A LYS 109.A NZ GLU 101.A OE2 no hydrogen 3.494 N/A VAL 110.A N ILE 106.A O no hydrogen 2.955 N/A ALA 111.A N GLY 107.A O no hydrogen 3.183 N/A HIS 112.A N GLN 108.A O no hydrogen 3.019 N/A ALA 113.A N LYS 109.A O no hydrogen 2.824 N/A LEU 114.A N VAL 110.A O no hydrogen 3.000 N/A ALA 115.A N ALA 111.A O no hydrogen 2.929 N/A GLU 116.A N HIS 112.A O no hydrogen 3.069 N/A GLY 117.A N LEU 114.A O no hydrogen 3.032 N/A LEU 118.A N ALA 113.A O no hydrogen 3.126 N/A GLY 119.A N ALA 86.A O no hydrogen 2.884 N/A VAL 120.A N LYS 156.A O no hydrogen 2.909 N/A ILE 121.A N VAL 88.A O no hydrogen 2.898 N/A ALA 122.A N VAL 158.A O no hydrogen 2.884 N/A CYS 123.A N LEU 90.A O no hydrogen 2.964 N/A CYS 123.A SG LEU 90.A O no hydrogen 3.813 N/A CYS 123.A SG ILE 121.A O no hydrogen 3.991 N/A ILE 124.A N ALA 160.A O no hydrogen 2.965 N/A GLY 125.A N GLN 143.A OE1 no hydrogen 2.779 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.997 N/A LYS 127.A N GLU 130.A OE1 no hydrogen 3.014 N/A LYS 127.A NZ ASP 129.A OD2 no hydrogen 3.086 N/A ARG 131.A N LYS 127.A O no hydrogen 3.081 N/A ARG 131.A NH1 GLU 126.A OE2 no hydrogen 3.212 N/A GLU 132.A N LEU 128.A O no hydrogen 2.981 N/A ALA 133.A N ASP 129.A O no hydrogen 3.068 N/A GLY 134.A N ARG 131.A O no hydrogen 3.058 N/A ILE 135.A N GLU 130.A O no hydrogen 3.060 N/A LYS 138.A NZ GLU 142.A OE2 no hydrogen 3.145 N/A VAL 139.A N ILE 135.A O no hydrogen 3.160 N/A VAL 140.A N THR 136.A O no hydrogen 3.037 N/A PHE 141.A N GLU 137.A O no hydrogen 3.051 N/A GLU 142.A N LYS 138.A O no hydrogen 3.043 N/A GLN 143.A N VAL 139.A O no hydrogen 3.020 N/A GLN 143.A NE2 GLY 125.A O no hydrogen 3.390 N/A THR 144.A N VAL 140.A O no hydrogen 2.929 N/A THR 144.A OG1 VAL 140.A O no hydrogen 2.634 N/A LYS 145.A N PHE 141.A O no hydrogen 3.004 N/A LYS 145.A NZ ASP 149.A OD1 no hydrogen 3.073 N/A LYS 145.A NZ ASP 149.A OD2 no hydrogen 2.836 N/A ALA 146.A N GLU 142.A O no hydrogen 3.274 N/A ALA 148.A N THR 144.A O no hydrogen 2.853 N/A ASP 149.A N LYS 145.A O no hydrogen 2.849 N/A ASN 150.A N ILE 147.A O no hydrogen 2.949 N/A ASN 150.A ND2 ALA 146.A O no hydrogen 2.747 N/A VAL 151.A N ALA 148.A O no hydrogen 3.238 N/A SER 155.A N ASP 153.A OD1 no hydrogen 3.374 N/A SER 155.A OG ASP 153.A OD1 no hydrogen 2.927 N/A SER 155.A OG ASP 153.A OD2 no hydrogen 3.441 N/A VAL 157.A N TRP 154.A O no hydrogen 3.119 N/A VAL 158.A N VAL 120.A O no hydrogen 3.022 N/A LEU 159.A N ARG 202.A O no hydrogen 3.036 N/A ALA 160.A N ALA 122.A O no hydrogen 2.839 N/A TYR 161.A N ILE 204.A O no hydrogen 2.829 N/A TYR 161.A OH GLU 126.A OE1 no hydrogen 2.758 N/A TYR 161.A OH GLU 126.A OE2 no hydrogen 3.350 N/A GLU 162.A N ILE 124.A O no hydrogen 2.955 N/A VAL 164.A N GLU 126.A O no hydrogen 2.948 N/A TRP 165.A NE1 GLU 126.A OE2 no hydrogen 2.890 N/A ALA 166.A N PRO 163.A O no hydrogen 3.077 N/A ILE 167.A N VAL 164.A O no hydrogen 3.214 N/A THR 169.A OG1 TRP 165.A O no hydrogen 2.656 N/A GLY 170.A N SER 208.A OG no hydrogen 2.900 N/A LYS 171.A N THR 169.A OG1 no hydrogen 3.359 N/A THR 172.A OG1 SER 208.A O no hydrogen 3.014 N/A THR 172.A OG1 ASN 213.A OD1 no hydrogen 3.395 N/A ALA 173.A N TYR 205.A OH no hydrogen 3.115 N/A THR 174.A N GLN 177.A OE1 no hydrogen 3.171 N/A GLN 177.A N THR 174.A OG1 no hydrogen 3.078 N/A ALA 178.A N THR 174.A O no hydrogen 3.033 N/A GLN 179.A N PRO 175.A O no hydrogen 2.855 N/A GLN 179.A NE2 GLU 183.A OE1 no hydrogen 3.155 N/A GLN 179.A NE2 ASP 222.A OD2 no hydrogen 2.891 N/A GLU 180.A N GLN 176.A O no hydrogen 3.068 N/A VAL 181.A N GLN 177.A O no hydrogen 3.370 N/A HIS 182.A N ALA 178.A O no hydrogen 2.969 N/A HIS 182.A ND1 ASP 222.A O no hydrogen 3.015 N/A GLU 183.A N GLN 179.A O no hydrogen 2.976 N/A LYS 184.A N GLU 180.A O no hydrogen 3.106 N/A LYS 184.A NZ GLU 137.A OE1 no hydrogen 3.245 N/A LYS 184.A NZ GLU 180.A OE2 no hydrogen 2.963 N/A LEU 185.A N VAL 181.A O no hydrogen 2.879 N/A ARG 186.A N HIS 182.A O no hydrogen 2.993 N/A ARG 186.A NE ASP 222.A OD1 no hydrogen 2.759 N/A ARG 186.A NH1 ALA 198.A O no hydrogen 2.860 N/A ARG 186.A NH1 THR 201.A O no hydrogen 2.797 N/A ARG 186.A NH2 ASP 222.A O no hydrogen 3.382 N/A ARG 186.A NH2 ASP 224.A OD2 no hydrogen 2.686 N/A GLY 187.A N GLU 183.A O no hydrogen 3.076 N/A TRP 188.A N LYS 184.A O no hydrogen 2.877 N/A LEU 189.A N LEU 185.A O no hydrogen 3.009 N/A LYS 190.A N ARG 186.A O no hydrogen 3.022 N/A THR 191.A N GLY 187.A O no hydrogen 3.241 N/A THR 191.A N TRP 188.A O no hydrogen 3.148 N/A THR 191.A OG1 GLY 187.A O no hydrogen 3.236 N/A THR 191.A OG1 TRP 188.A O no hydrogen 3.250 N/A THR 191.A OG1 HIS 192.A ND1 no hydrogen 3.023 N/A HIS 192.A N TRP 188.A O no hydrogen 2.869 N/A HIS 192.A ND1 TRP 188.A O no hydrogen 2.815 N/A VAL 193.A N LEU 189.A O no hydrogen 3.016 N/A VAL 197.A N SER 194.A OG no hydrogen 3.161 N/A ALA 198.A N SER 194.A O no hydrogen 3.161 N/A GLN 199.A N ASP 195.A O no hydrogen 2.917 N/A SER 200.A N ALA 196.A O no hydrogen 3.268 N/A SER 200.A N VAL 197.A O no hydrogen 3.360 N/A SER 200.A OG ALA 196.A O no hydrogen 2.945 N/A THR 201.A N VAL 197.A O no hydrogen 3.109 N/A THR 201.A OG1 VAL 197.A O no hydrogen 2.794 N/A ARG 202.A NH1 LYS 2.A O no hydrogen 2.854 N/A ARG 202.A NH1 GLU 35.A OE1 no hydrogen 2.913 N/A ARG 202.A NH2 GLU 35.A OE1 no hydrogen 3.249 N/A ARG 202.A NH2 GLU 35.A OE2 no hydrogen 3.338 N/A ILE 203.A N ASP 224.A OD2 no hydrogen 2.919 N/A ILE 204.A N LEU 159.A O no hydrogen 2.891 N/A TYR 205.A N GLY 225.A O no hydrogen 2.882 N/A TYR 205.A OH GLY 207.A O no hydrogen 2.730 N/A GLY 206.A N TYR 161.A O no hydrogen 2.911 N/A SER 208.A OG ALA 166.A O no hydrogen 2.645 N/A GLY 211.A N GLU 236.A OE2 no hydrogen 2.902 N/A ASN 213.A N THR 210.A OG1 no hydrogen 3.234 N/A CYS 214.A N THR 210.A O no hydrogen 3.116 N/A CYS 214.A SG GLY 211.A O no hydrogen 3.689 N/A LYS 215.A NZ ALA 243.A O no hydrogen 2.857 N/A LYS 215.A NZ HIS 245.A OXT no hydrogen 2.934 N/A LEU 217.A N ASN 213.A O no hydrogen 3.508 N/A ALA 218.A N CYS 214.A O no hydrogen 2.979 N/A SER 219.A N LYS 215.A O no hydrogen 3.138 N/A SER 219.A OG LYS 215.A O no hydrogen 3.532 N/A SER 219.A OG GLU 216.A O no hydrogen 2.866 N/A GLN 220.A N LEU 217.A O no hydrogen 3.243 N/A ASP 222.A N GLN 179.A OE1 no hydrogen 2.967 N/A VAL 223.A N GLN 220.A O no hydrogen 3.337 N/A ASP 224.A N ILE 203.A O no hydrogen 2.908 N/A PHE 226.A N PHE 4.A O no hydrogen 3.023 N/A LEU 227.A N TYR 205.A O no hydrogen 2.952 N/A VAL 228.A N GLY 6.A O no hydrogen 2.890 N/A SER 232.A N GLY 229.A O no hydrogen 2.930 N/A SER 232.A OG ASN 8.A O no hydrogen 3.223 N/A SER 232.A OG GLY 229.A O no hydrogen 2.662 N/A LEU 233.A N GLY 230.A O no hydrogen 3.382 N/A LYS 234.A N ALA 231.A O no hydrogen 3.332 N/A PHE 237.A N LYS 234.A O no hydrogen 3.248 N/A VAL 238.A N PRO 235.A O no hydrogen 3.080 N/A ILE 240.A N GLU 236.A O no hydrogen 3.111 N/A ILE 241.A N PHE 237.A O no hydrogen 3.065 N/A ASN 242.A N VAL 238.A O no hydrogen 3.051 N/A ASN 242.A ND2 LYS 29.A O no hydrogen 2.716 N/A ALA 243.A N ILE 240.A O no hydrogen 3.046 N/A HIS 245.A N ASN 242.A O no hydrogen 3.135 N/A