Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ppi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLN 4.A OE1 no hydrogen 2.861 N/A GLN 4.A NE2 THR 238.A O no hydrogen 3.038 N/A PHE 5.A N ILE 2.A O no hydrogen 2.935 N/A GLU 6.A N LYS 3.A O no hydrogen 3.346 N/A ALA 8.A N PHE 5.A O no hydrogen 3.034 N/A SER 9.A N ARG 80.A O no hydrogen 2.849 N/A SER 9.A OG ALA 75.A O no hydrogen 2.769 N/A ALA 10.A N GLY 33.A O no hydrogen 2.820 N/A ILE 11.A N TYR 83.A O no hydrogen 3.080 N/A VAL 12.A N VAL 35.A O no hydrogen 2.979 N/A SER 13.A N VAL 85.A O no hydrogen 2.977 N/A SER 13.A OG HIS 88.A ND1 no hydrogen 2.886 N/A ALA 16.A N ASP 38.A OD2 no hydrogen 2.922 N/A GLU 21.A N GLY 17.A O no hydrogen 3.144 N/A ALA 22.A N GLY 18.A O no hydrogen 3.246 N/A THR 23.A N LEU 19.A O no hydrogen 3.091 N/A THR 23.A OG1 LEU 19.A O no hydrogen 2.898 N/A VAL 24.A N GLY 20.A O no hydrogen 2.856 N/A ARG 25.A N GLU 21.A O no hydrogen 2.913 N/A ARG 25.A NE GLU 21.A OE2 no hydrogen 3.126 N/A ARG 25.A NH1 GLU 50.A OE2 no hydrogen 2.771 N/A ARG 25.A NH2 GLU 21.A OE2 no hydrogen 3.062 N/A ARG 25.A NH2 GLU 50.A OE1 no hydrogen 2.946 N/A ARG 25.A NH2 GLU 50.A OE2 no hydrogen 3.356 N/A ARG 26.A N ALA 22.A O no hydrogen 2.971 N/A ARG 26.A NE ASP 30.A OD2 no hydrogen 3.016 N/A ARG 26.A NH1 ASP 231.A OD1 no hydrogen 2.836 N/A ARG 26.A NH2 ASP 231.A OD1 no hydrogen 3.469 N/A LEU 27.A N THR 23.A O no hydrogen 2.833 N/A HIS 28.A N VAL 24.A O no hydrogen 2.859 N/A ALA 29.A N ARG 25.A O no hydrogen 2.965 N/A ASP 30.A N ARG 26.A O no hydrogen 2.946 N/A GLY 31.A N HIS 28.A O no hydrogen 3.093 N/A LEU 32.A N LEU 27.A O no hydrogen 3.091 N/A GLY 33.A N ALA 8.A O no hydrogen 3.189 N/A VAL 34.A N ARG 54.A O no hydrogen 2.915 N/A VAL 35.A N ALA 10.A O no hydrogen 2.797 N/A ILE 36.A N GLU 56.A O no hydrogen 2.781 N/A ALA 37.A N VAL 12.A O no hydrogen 3.047 N/A ASP 38.A N VAL 58.A O no hydrogen 3.351 N/A ALA 40.A N ASP 38.A OD1 no hydrogen 3.006 N/A LYS 43.A NZ ALA 16.A O no hydrogen 2.752 N/A LYS 43.A NZ GLU 21.A OE1 no hydrogen 2.755 N/A GLY 44.A N ALA 40.A O no hydrogen 2.916 N/A LYS 45.A N ALA 41.A O no hydrogen 2.927 N/A ALA 46.A N GLU 42.A O no hydrogen 3.003 N/A LEU 47.A N LYS 43.A O no hydrogen 2.918 N/A ALA 48.A N GLY 44.A O no hydrogen 2.953 N/A ASP 49.A N LYS 45.A O no hydrogen 2.843 N/A GLU 50.A N ALA 46.A O no hydrogen 2.912 N/A LEU 51.A N LEU 47.A O no hydrogen 3.063 N/A GLY 52.A N ALA 48.A O no hydrogen 3.111 N/A ARG 54.A NH1 HIS 28.A O no hydrogen 3.172 N/A ARG 54.A NH2 HIS 28.A O no hydrogen 3.032 N/A ALA 55.A N GLY 52.A O no hydrogen 3.116 N/A GLU 56.A N VAL 34.A O no hydrogen 3.026 N/A VAL 58.A N ILE 36.A O no hydrogen 2.894 N/A THR 60.A N ASP 38.A O no hydrogen 2.925 N/A THR 60.A OG1 VAL 58.A O no hydrogen 2.909 N/A ASN 61.A N SER 67.A OG no hydrogen 3.020 N/A THR 63.A N ASN 61.A OD1 no hydrogen 3.129 N/A THR 63.A OG1 ASN 61.A OD1 no hydrogen 2.831 N/A SER 64.A N ASN 61.A O no hydrogen 2.945 N/A SER 67.A N SER 64.A OG no hydrogen 3.170 N/A SER 67.A OG SER 59.A O no hydrogen 3.369 N/A VAL 68.A N SER 64.A O no hydrogen 3.095 N/A LEU 69.A N GLU 65.A O no hydrogen 2.837 N/A ALA 70.A N ASP 66.A O no hydrogen 3.082 N/A ALA 71.A N SER 67.A O no hydrogen 3.187 N/A ILE 72.A N VAL 68.A O no hydrogen 2.952 N/A GLU 73.A N LEU 69.A O no hydrogen 3.060 N/A ALA 74.A N ALA 70.A O no hydrogen 3.083 N/A ALA 75.A N ALA 71.A O no hydrogen 3.009 N/A ASN 76.A N ILE 72.A O no hydrogen 3.062 N/A ASN 76.A ND2 ILE 72.A O no hydrogen 3.283 N/A ASN 76.A ND2 SER 131.A OG no hydrogen 3.306 N/A GLN 77.A N ALA 74.A O no hydrogen 3.025 N/A LEU 78.A N ALA 75.A O no hydrogen 2.949 N/A ARG 80.A N GLY 7.A O no hydrogen 2.890 N/A ARG 80.A NH1 LEU 81.A O no hydrogen 3.139 N/A ARG 80.A NH1 SER 131.A O no hydrogen 3.079 N/A ARG 80.A NH1 SER 131.A OG no hydrogen 3.145 N/A ARG 80.A NH2 SER 131.A O no hydrogen 2.717 N/A LEU 81.A N ASN 76.A OD1 no hydrogen 2.943 N/A ARG 82.A N SER 9.A O no hydrogen 2.969 N/A ARG 82.A NH1 GLU 136.A O no hydrogen 2.836 N/A ARG 82.A NH1 ARG 143.A O no hydrogen 2.877 N/A ARG 82.A NH2 GLU 136.A O no hydrogen 2.819 N/A TYR 83.A OH GLN 4.A O no hydrogen 3.242 N/A ALA 84.A N ALA 145.A O no hydrogen 3.361 N/A VAL 85.A N ILE 11.A O no hydrogen 2.931 N/A VAL 86.A N VAL 147.A O no hydrogen 2.810 N/A ALA 87.A N SER 13.A O no hydrogen 3.124 N/A ALA 87.A N SER 13.A OG no hydrogen 2.931 N/A HIS 88.A N SER 13.A OG no hydrogen 3.387 N/A HIS 88.A ND1 SER 13.A OG no hydrogen 2.886 N/A HIS 88.A NE2 LEU 116.A O no hydrogen 2.881 N/A VAL 93.A N THR 113.A OG1 no hydrogen 3.305 N/A GLN 95.A N GLY 160.A O no hydrogen 3.075 N/A GLN 95.A NE2.A ASP 106.A O no hydrogen 2.800 N/A GLN 95.A NE2.B ASP 106.A OD2.B no hydrogen 2.813 N/A GLN 99.A N SER 103.A O no hydrogen 2.773 N/A GLY 102.A N GLN 99.A O no hydrogen 2.820 N/A SER 103.A N ASP 101.A OD1 no hydrogen 2.953 N/A SER 103.A OG ASP 101.A OD1 no hydrogen 2.641 N/A ALA 105.A N ILE 97.A O no hydrogen 2.848 N/A ASP 106.A N GLN 95.A OE1.A no hydrogen 2.869 N/A ASP 106.A N GLN 95.A OE1.B no hydrogen 2.881 N/A GLY 109.A N ASP 106.A OD2.A no hydrogen 3.015 N/A PHE 110.A N ASP 106.A O no hydrogen 3.398 N/A THR 111.A N MET 107.A O no hydrogen 2.930 N/A THR 111.A OG1 MET 107.A O no hydrogen 3.294 N/A THR 111.A OG1 GLY 108.A O no hydrogen 3.144 N/A LYS 112.A N GLY 108.A O no hydrogen 2.909 N/A THR 113.A N GLY 109.A O no hydrogen 3.343 N/A THR 113.A OG1 GLY 109.A O no hydrogen 3.043 N/A ILE 114.A N PHE 110.A O no hydrogen 3.001 N/A ASP 115.A N THR 111.A O no hydrogen 2.769 N/A LEU 116.A N LYS 112.A O no hydrogen 3.055 N/A TYR 117.A N THR 113.A O no hydrogen 3.049 N/A TYR 117.A OH GLY 89.A O no hydrogen 2.916 N/A TYR 117.A OH PHE 91.A O no hydrogen 3.344 N/A LEU 118.A N ILE 114.A O no hydrogen 2.938 N/A ASN 119.A N ILE 114.A O no hydrogen 2.977 N/A GLY 120.A N ASP 115.A O no hydrogen 2.820 N/A THR 121.A OG1 TYR 117.A O no hydrogen 2.715 N/A TYR 122.A N LEU 118.A O no hydrogen 2.955 N/A ASN 123.A N ASN 119.A O no hydrogen 2.869 N/A ASN 123.A ND2 VAL 62.A O no hydrogen 2.856 N/A VAL 124.A N GLY 120.A O no hydrogen 3.058 N/A ALA 125.A N THR 121.A O no hydrogen 2.917 N/A ARG 126.A N TYR 122.A O no hydrogen 2.864 N/A ARG 126.A NE ASN 123.A OD1 no hydrogen 2.988 N/A ARG 126.A NH2 GLU 65.A OE1 no hydrogen 2.679 N/A ARG 126.A NH2 ASN 123.A OD1 no hydrogen 2.927 N/A LEU 127.A N ASN 123.A O no hydrogen 3.361 N/A VAL 128.A N VAL 124.A O no hydrogen 2.945 N/A ALA 129.A N ALA 125.A O no hydrogen 2.829 N/A ALA 130.A N ARG 126.A O no hydrogen 3.099 N/A SER 131.A N LEU 127.A O no hydrogen 3.268 N/A ILE 132.A N VAL 128.A O no hydrogen 2.964 N/A ALA 133.A N ALA 129.A O no hydrogen 2.786 N/A ALA 134.A N SER 131.A O no hydrogen 3.084 N/A ALA 135.A N ILE 132.A O no hydrogen 2.959 N/A ARG 138.A N GLU 142.A O no hydrogen 3.043 N/A ARG 138.A NH1 GLN 4.A O no hydrogen 2.902 N/A ARG 138.A NH2 GLN 4.A O no hydrogen 2.841 N/A ARG 138.A NH2 GLU 6.A O no hydrogen 3.206 N/A GLY 141.A N ARG 138.A O no hydrogen 2.816 N/A GLU 142.A N ASN 140.A OD1 no hydrogen 2.981 N/A ARG 143.A N GLY 186.A O no hydrogen 2.767 N/A ARG 143.A NE ALA 135.A O no hydrogen 2.777 N/A ARG 143.A NH1 ALA 185.A O no hydrogen 2.765 N/A GLY 144.A N GLY 186.A O no hydrogen 3.493 N/A ALA 145.A N ARG 82.A O no hydrogen 3.031 N/A LEU 146.A N ARG 188.A O no hydrogen 2.829 N/A VAL 147.A N ALA 84.A O no hydrogen 2.958 N/A LEU 148.A N ASN 190.A O no hydrogen 2.868 N/A THR 149.A OG1 VAL 86.A O no hydrogen 2.736 N/A ALA 150.A N ILE 192.A O no hydrogen 2.813 N/A ILE 152.A N PRO 194.A O no hydrogen 3.073 N/A ALA 153.A N SER 151.A OG no hydrogen 2.962 N/A GLY 154.A N SER 151.A O no hydrogen 2.952 N/A TYR 155.A N ILE 152.A O no hydrogen 2.945 N/A GLU 156.A N ILE 152.A O no hydrogen 2.939 N/A GLN 158.A NE2 THR 256.A O no hydrogen 3.250 N/A ILE 159.A N PRO 257.A O no hydrogen 2.783 N/A GLN 161.A N GLN 158.A O no hydrogen 2.972 N/A ALA 165.A N GLN 161.A O no hydrogen 2.985 N/A ALA 166.A N THR 162.A O no hydrogen 2.975 N/A ALA 167.A N ALA 163.A O no hydrogen 3.048 N/A LYS 168.A N TYR 164.A O no hydrogen 2.958 N/A LYS 168.A NZ THR 149.A O no hydrogen 3.025 N/A LYS 168.A NZ ALA 150.A O no hydrogen 3.199 N/A ALA 169.A N ALA 165.A O no hydrogen 2.876 N/A GLY 170.A N ALA 166.A O no hydrogen 2.931 N/A VAL 171.A N ALA 167.A O no hydrogen 3.169 N/A ILE 172.A N LYS 168.A O no hydrogen 2.940 N/A GLY 173.A N ALA 169.A O no hydrogen 2.916 N/A LEU 174.A N GLY 170.A O no hydrogen 2.962 N/A THR 175.A N ILE 172.A O no hydrogen 3.162 N/A THR 175.A OG1 VAL 171.A O no hydrogen 2.975 N/A THR 175.A OG1 ILE 172.A O no hydrogen 2.983 N/A THR 175.A OG1 THR 191.A OG1 no hydrogen 2.644 N/A ALA 178.A N LEU 174.A O no hydrogen 2.816 N/A ALA 179.A N THR 175.A O no hydrogen 2.955 N/A ARG 180.A N ILE 176.A O no hydrogen 2.909 N/A ASP 181.A N ALA 177.A O no hydrogen 2.901 N/A LEU 182.A N ALA 178.A O no hydrogen 2.862 N/A SER 183.A N ARG 180.A O no hydrogen 3.329 N/A SER 183.A OG ARG 180.A O no hydrogen 2.766 N/A ALA 185.A N LEU 182.A O no hydrogen 2.943 N/A GLY 186.A N SER 183.A O no hydrogen 3.170 N/A ILE 187.A N LEU 182.A O no hydrogen 3.350 N/A ARG 188.A N GLY 144.A O no hydrogen 3.088 N/A ARG 188.A NE GLU 142.A OE1 no hydrogen 2.767 N/A ARG 188.A NH1 LEU 236.A O no hydrogen 2.824 N/A ARG 188.A NH1 ILE 242.A O no hydrogen 2.852 N/A ARG 188.A NH2 GLU 142.A OE1 no hydrogen 3.467 N/A ARG 188.A NH2 GLU 142.A OE2 no hydrogen 3.307 N/A ARG 188.A NH2 LEU 236.A O no hydrogen 3.396 N/A ARG 188.A NH2 LEU 237.A O no hydrogen 2.984 N/A VAL 189.A N ASN 243.A OD1 no hydrogen 2.919 N/A ASN 190.A N LEU 146.A O no hydrogen 3.103 N/A ASN 190.A ND2 ILE 242.A O no hydrogen 2.909 N/A THR 191.A N GLU 245.A O no hydrogen 3.006 N/A THR 191.A OG1 THR 175.A OG1 no hydrogen 2.644 N/A ILE 192.A N LEU 148.A O no hydrogen 2.926 N/A ALA 193.A N MET 247.A O no hydrogen 2.788 N/A GLY 195.A N LEU 249.A O no hydrogen 2.882 N/A THR 196.A OG1 GLN 253.A OE1 no hydrogen 3.026 N/A LYS 198.A N GLY 224.A O no hydrogen 2.828 N/A LYS 198.A NZ GLU 203.A OE1 no hydrogen 3.516 N/A LYS 198.A NZ GLU 203.A OE2 no hydrogen 2.693 N/A THR 199.A N MET 197.A O no hydrogen 3.074 N/A MET 202.A N THR 199.A OG1 no hydrogen 3.303 N/A GLU 203.A N THR 199.A O no hydrogen 2.928 N/A SER 204.A N ILE 201.A O no hydrogen 3.200 N/A SER 204.A OG ILE 201.A O no hydrogen 2.495 N/A VAL 205.A N MET 202.A O no hydrogen 3.185 N/A GLY 206.A N GLU 203.A O no hydrogen 3.241 N/A LEU 210.A N GLY 206.A O no hydrogen 3.236 N/A ALA 211.A N GLU 207.A O no hydrogen 2.926 N/A LYS 212.A N GLU 208.A O no hydrogen 3.197 N/A PHE 213.A N ALA 209.A O no hydrogen 2.994 N/A ALA 214.A N LEU 210.A O no hydrogen 2.917 N/A ALA 215.A N ALA 211.A O no hydrogen 3.251 N/A ALA 215.A N LYS 212.A O no hydrogen 3.153 N/A ASN 216.A N PHE 213.A O no hydrogen 3.113 N/A ASN 216.A ND2 ARG 254.A O no hydrogen 3.074 N/A ILE 217.A N ALA 214.A O no hydrogen 3.273 N/A PHE 219.A N GLY 251.A O no hydrogen 3.102 N/A LYS 221.A NZ PRO 218.A O no hydrogen 2.666 N/A ARG 222.A N PRO 220.A O no hydrogen 2.804 N/A ARG 222.A NH1 LEU 223.A O no hydrogen 3.055 N/A ARG 222.A NH1 GLU 228.A OE1 no hydrogen 3.008 N/A ARG 222.A NH1 GLU 228.A OE2 no hydrogen 3.490 N/A ARG 222.A NH2 GLU 228.A OE2 no hydrogen 2.720 N/A GLY 224.A N THR 196.A O no hydrogen 3.069 N/A THR 225.A N GLU 228.A OE1 no hydrogen 2.836 N/A GLU 228.A N THR 225.A OG1 no hydrogen 3.014 N/A PHE 229.A N THR 225.A O no hydrogen 3.155 N/A ALA 230.A N PRO 226.A O no hydrogen 2.873 N/A ASP 231.A N ASP 227.A O no hydrogen 2.919 N/A ALA 232.A N GLU 228.A O no hydrogen 3.134 N/A ALA 233.A N PHE 229.A O no hydrogen 2.897 N/A ALA 234.A N ALA 230.A O no hydrogen 2.936 N/A PHE 235.A N ASP 231.A O no hydrogen 3.056 N/A LEU 236.A N ALA 232.A O no hydrogen 2.982 N/A LEU 237.A N ALA 233.A O no hydrogen 3.073 N/A THR 238.A N ALA 234.A O no hydrogen 3.035 N/A THR 238.A N PHE 235.A O no hydrogen 3.188 N/A THR 238.A OG1 ALA 234.A O no hydrogen 2.984 N/A THR 238.A OG1 PHE 235.A O no hydrogen 3.416 N/A ASN 239.A N PHE 235.A O no hydrogen 2.931 N/A TYR 241.A N ASN 239.A OD1 no hydrogen 3.009 N/A ILE 242.A N ASN 239.A OD1 no hydrogen 3.257 N/A GLY 244.A N VAL 189.A O no hydrogen 2.831 N/A GLU 245.A N ASN 190.A OD1 no hydrogen 2.959 N/A VAL 246.A N GLU 245.A OE1 no hydrogen 2.963 N/A MET 247.A N THR 191.A O no hydrogen 2.779 N/A ARG 248.A NE ASP 250.A OD2 no hydrogen 2.836 N/A ARG 248.A NH1 GLU 156.A OE2 no hydrogen 2.595 N/A ARG 248.A NH2 GLU 156.A OE1 no hydrogen 2.958 N/A ARG 248.A NH2 GLU 156.A OE2 no hydrogen 3.196 N/A ARG 248.A NH2 ASP 250.A OD2 no hydrogen 3.034 N/A ARG 248.A NH2 GLN 253.A O no hydrogen 3.027 N/A LEU 249.A N ALA 193.A O no hydrogen 3.001 N/A ALA 252.A N ASP 250.A OD1 no hydrogen 2.982 N/A GLN 253.A N ASP 250.A O no hydrogen 2.912 N/A ARG 254.A NH1 GLN 253.A O no hydrogen 3.001 N/A PHE 255.A N GLU 156.A OE1 no hydrogen 3.067 N/A THR 256.A OG1 LYS 258.A O no hydrogen 2.785 N/A