Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pjd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N GLU 30.A OE1 no hydrogen 3.291 N/A LEU 3.A N GLU 30.A O no hydrogen 2.867 N/A SER 4.A N GLY 1.A O no hydrogen 3.427 N/A SER 4.A OG GLY 1.A O no hydrogen 3.328 N/A SER 4.A OG GLY 31.A O no hydrogen 3.498 N/A LYS 6.A N LEU 3.A O no hydrogen 2.953 N/A LYS 6.A NZ GLY 137.A O no hydrogen 2.933 N/A LYS 6.A NZ ASP 234.A OD1 no hydrogen 3.392 N/A ARG 7.A N ASP 85.A OD1 no hydrogen 2.940 N/A ILE 8.A N GLU 33.A O no hydrogen 3.010 N/A LEU 9.A N GLY 86.A O no hydrogen 3.150 N/A VAL 10.A N ALA 35.A O no hydrogen 2.866 N/A THR 11.A N VAL 88.A O no hydrogen 3.296 N/A THR 11.A OG1 VAL 88.A O no hydrogen 3.013 N/A ALA 14.A N SER 18.A OG no hydrogen 2.997 N/A SER 15.A N SER 18.A OG no hydrogen 3.135 N/A LYS 16.A NZ TYR 21.A OH no hydrogen 3.068 N/A LYS 16.A NZ GLN 53.A OE1 no hydrogen 3.537 N/A LEU 17.A N SER 15.A OG no hydrogen 2.878 N/A TYR 21.A N SER 18.A O no hydrogen 3.125 N/A GLY 22.A N SER 18.A O no hydrogen 3.352 N/A ILE 23.A N ILE 19.A O no hydrogen 2.977 N/A ALA 24.A N ALA 20.A O no hydrogen 3.046 N/A GLN 25.A N TYR 21.A O no hydrogen 3.105 N/A ALA 26.A N GLY 22.A O no hydrogen 3.397 N/A MET 27.A N ILE 23.A O no hydrogen 3.058 N/A HIS 28.A N ALA 24.A O no hydrogen 3.004 N/A ARG 29.A N GLN 25.A O no hydrogen 2.928 N/A ARG 29.A NE GLU 30.A OE2 no hydrogen 2.751 N/A ARG 29.A NH1 ASN 226.A OD1 no hydrogen 2.930 N/A ARG 29.A NH2 GLU 30.A OE2 no hydrogen 2.913 N/A ARG 29.A NH2 ASN 226.A OD1 no hydrogen 2.839 N/A GLU 30.A N ALA 26.A O no hydrogen 2.829 N/A GLY 31.A N HIS 28.A O no hydrogen 2.967 N/A GLU 33.A N LYS 6.A O no hydrogen 2.962 N/A ALA 35.A N ILE 8.A O no hydrogen 3.220 N/A PHE 36.A N ILE 58.A O no hydrogen 2.921 N/A THR 37.A N VAL 10.A O no hydrogen 3.388 N/A TYR 38.A N LEU 60.A O no hydrogen 2.838 N/A LEU 43.A N ASN 40.A O no hydrogen 2.897 N/A LYS 44.A N ASP 41.A O no hydrogen 3.232 N/A ARG 46.A NH1 LYS 42.A O no hydrogen 2.667 N/A VAL 47.A N LEU 43.A O no hydrogen 3.104 N/A GLU 48.A N LYS 44.A O no hydrogen 3.141 N/A GLU 49.A N GLY 45.A O no hydrogen 3.186 N/A PHE 50.A N ARG 46.A O no hydrogen 3.021 N/A ALA 51.A N VAL 47.A O no hydrogen 2.849 N/A ALA 52.A N GLU 48.A O no hydrogen 3.068 N/A ALA 52.A N GLU 49.A O no hydrogen 3.140 N/A GLN 53.A N GLU 49.A O no hydrogen 3.211 N/A LEU 54.A N PHE 50.A O no hydrogen 3.193 N/A GLY 55.A N ALA 52.A O no hydrogen 3.216 N/A SER 56.A N ALA 51.A O no hydrogen 2.612 N/A SER 56.A OG LEU 34.A O no hydrogen 2.703 N/A LEU 60.A N PHE 36.A O no hydrogen 2.847 N/A GLN 61.A NE2 GLN 39.A O no hydrogen 3.053 N/A CYS 62.A N TYR 38.A O no hydrogen 2.756 N/A CYS 62.A SG SER 69.A O no hydrogen 3.903 N/A ASP 63.A N SER 69.A OG no hydrogen 3.013 N/A ALA 65.A N ASP 63.A OD2 no hydrogen 3.390 N/A GLU 66.A N ASP 63.A O no hydrogen 2.793 N/A ILE 70.A N GLU 66.A O no hydrogen 3.291 N/A ILE 70.A N ASP 67.A O no hydrogen 3.248 N/A ASP 71.A N ASP 67.A O no hydrogen 2.970 N/A THR 72.A N ALA 68.A O no hydrogen 2.990 N/A THR 72.A OG1 ALA 68.A O no hydrogen 3.159 N/A MET 73.A N SER 69.A O no hydrogen 3.285 N/A PHE 74.A N ILE 70.A O no hydrogen 3.304 N/A ALA 75.A N ASP 71.A O no hydrogen 3.055 N/A ALA 75.A N THR 72.A O no hydrogen 2.852 N/A GLU 76.A N THR 72.A O no hydrogen 2.771 N/A LEU 77.A N MET 73.A O no hydrogen 2.848 N/A GLY 78.A N PHE 74.A O no hydrogen 2.983 N/A LYS 79.A N GLU 76.A O no hydrogen 2.869 N/A LYS 79.A NZ GLU 76.A OE1 no hydrogen 2.781 N/A VAL 80.A N LEU 77.A O no hydrogen 3.074 N/A TRP 81.A N LEU 77.A O no hydrogen 2.810 N/A LYS 83.A NZ SER 132.A O no hydrogen 3.268 N/A PHE 84.A N MET 133.A O no hydrogen 3.021 N/A ASP 85.A N ARG 7.A O no hydrogen 2.785 N/A VAL 88.A N LEU 9.A O no hydrogen 2.885 N/A HIS 89.A N LEU 141.A O no hydrogen 2.628 N/A HIS 89.A ND1 THR 142.A OG1 no hydrogen 3.210 N/A HIS 89.A NE2 SER 122.A OG no hydrogen 2.773 N/A SER 90.A N THR 11.A OG1 no hydrogen 3.309 N/A PHE 93.A N SER 119.A OG no hydrogen 2.807 N/A GLN 98.A N PRO 95.A O no hydrogen 2.844 N/A GLN 98.A NE2 ASP 97.A OD1 no hydrogen 3.053 N/A LEU 99.A N GLY 96.A O no hydrogen 3.221 N/A GLY 101.A N ASN 154.A OD1 no hydrogen 2.987 N/A ASN 105.A N ASP 102.A OD2 no hydrogen 3.001 N/A ALA 106.A N ASP 102.A O no hydrogen 2.820 N/A VAL 107.A N TYR 103.A O no hydrogen 2.963 N/A THR 108.A N GLN 98.A OE1 no hydrogen 3.418 N/A GLY 111.A N THR 108.A OG1 no hydrogen 2.834 N/A PHE 112.A N THR 108.A O no hydrogen 2.942 N/A LYS 113.A N ARG 109.A O no hydrogen 3.019 N/A LYS 113.A NZ GLU 110.A OE1 no hydrogen 3.479 N/A ILE 114.A N GLU 110.A O no hydrogen 2.995 N/A ALA 115.A N GLY 111.A O no hydrogen 3.115 N/A HIS 116.A N PHE 112.A O no hydrogen 3.140 N/A HIS 116.A ND1 PHE 112.A O no hydrogen 2.822 N/A ASP 117.A N LYS 113.A O no hydrogen 2.978 N/A ILE 118.A N ILE 114.A O no hydrogen 2.914 N/A SER 119.A N ALA 115.A O no hydrogen 3.033 N/A SER 119.A OG PHE 93.A O no hydrogen 3.269 N/A SER 119.A OG ALA 115.A O no hydrogen 3.071 N/A SER 120.A N HIS 116.A O no hydrogen 3.039 N/A SER 120.A OG SER 164.A OG no hydrogen 3.188 N/A TYR 121.A N HIS 116.A O no hydrogen 2.847 N/A SER 122.A N ASP 117.A O no hydrogen 3.024 N/A SER 122.A OG HIS 89.A NE2 no hydrogen 2.773 N/A SER 122.A OG ILE 118.A O no hydrogen 2.455 N/A PHE 123.A N SER 120.A O no hydrogen 3.213 N/A ALA 125.A N TYR 121.A O no hydrogen 2.892 N/A MET 126.A N SER 122.A O no hydrogen 2.930 N/A ALA 127.A N PHE 123.A O no hydrogen 3.459 N/A LYS 128.A N VAL 124.A O no hydrogen 3.025 N/A ALA 129.A N ALA 125.A O no hydrogen 3.366 N/A CYS 130.A SG MET 126.A O no hydrogen 3.419 N/A ARG 131.A NE GLU 179.A OE1 no hydrogen 2.607 N/A ARG 131.A NE GLU 179.A OE2 no hydrogen 3.269 N/A ARG 131.A NH2 GLU 179.A OE1 no hydrogen 2.354 N/A MET 133.A N CYS 130.A O no hydrogen 3.022 N/A ASN 135.A N PHE 84.A O no hydrogen 3.196 N/A ASN 135.A ND2 ASP 85.A OD2 no hydrogen 3.287 N/A GLY 137.A N GLY 180.A O no hydrogen 2.607 N/A SER 138.A N ASN 135.A O no hydrogen 3.121 N/A SER 138.A OG ASN 135.A O no hydrogen 2.592 N/A ALA 139.A N ASP 85.A O no hydrogen 3.322 N/A LEU 140.A N ARG 182.A O no hydrogen 2.806 N/A LEU 141.A N PHE 87.A O no hydrogen 3.163 N/A THR 142.A N ASN 184.A O no hydrogen 3.294 N/A THR 142.A OG1 HIS 89.A ND1 no hydrogen 3.210 N/A THR 142.A OG1 HIS 89.A O no hydrogen 3.352 N/A SER 144.A N ILE 186.A O no hydrogen 2.828 N/A SER 144.A OG TYR 145.A O no hydrogen 3.547 N/A SER 144.A OG GLU 166.A OE2 no hydrogen 2.512 N/A ALA 148.A N TYR 145.A O no hydrogen 2.949 N/A GLU 149.A N LEU 146.A O no hydrogen 2.885 N/A ARG 150.A N LEU 146.A O no hydrogen 2.968 N/A ARG 150.A NH1 SER 251.A O no hydrogen 3.240 N/A ARG 150.A NH2 SER 251.A O no hydrogen 2.570 N/A TYR 155.A N ILE 152.A O no hydrogen 3.193 N/A TYR 155.A N PRO 153.A O no hydrogen 2.657 N/A ASN 156.A ND2 GLN 98.A O no hydrogen 2.801 N/A ASN 156.A ND2 GLY 101.A O no hydrogen 3.186 N/A MET 158.A N TYR 155.A O no hydrogen 2.929 N/A GLY 159.A N ASN 156.A O no hydrogen 2.833 N/A LEU 160.A N VAL 157.A O no hydrogen 3.172 N/A ALA 161.A N VAL 157.A O no hydrogen 3.147 N/A LYS 162.A N MET 158.A O no hydrogen 3.048 N/A LYS 162.A NZ LEU 143.A O no hydrogen 3.075 N/A ALA 163.A N GLY 159.A O no hydrogen 3.246 N/A SER 164.A N LEU 160.A O no hydrogen 3.246 N/A SER 164.A OG SER 120.A OG no hydrogen 3.188 N/A LEU 165.A N ALA 161.A O no hydrogen 2.886 N/A GLU 166.A N LYS 162.A O no hydrogen 2.749 N/A ALA 167.A N ALA 163.A O no hydrogen 3.005 N/A ASN 168.A N SER 164.A O no hydrogen 2.755 N/A ASN 168.A ND2 SER 120.A O no hydrogen 3.186 N/A VAL 169.A N LEU 165.A O no hydrogen 3.126 N/A TYR 171.A N ALA 167.A O no hydrogen 3.027 N/A MET 172.A N ASN 168.A O no hydrogen 2.861 N/A ALA 173.A N VAL 169.A O no hydrogen 3.056 N/A ASN 174.A N ARG 170.A O no hydrogen 3.051 N/A ALA 175.A N TYR 171.A O no hydrogen 3.149 N/A MET 176.A N MET 172.A O no hydrogen 2.814 N/A GLY 177.A N ALA 173.A O no hydrogen 2.930 N/A GLU 179.A N MET 176.A O no hydrogen 2.994 N/A GLY 180.A N GLY 177.A O no hydrogen 2.970 N/A VAL 181.A N MET 176.A O no hydrogen 3.380 N/A ARG 182.A N SER 138.A O no hydrogen 3.090 N/A ARG 182.A NH1 LEU 231.A O no hydrogen 3.413 N/A ARG 182.A NH1 ILE 239.A O no hydrogen 2.882 N/A ARG 182.A NH2 LEU 231.A O no hydrogen 3.290 N/A ASN 184.A N LEU 140.A O no hydrogen 2.996 N/A ASN 184.A ND2 ILE 239.A O no hydrogen 3.131 N/A ALA 185.A N GLU 242.A O no hydrogen 3.035 N/A ILE 186.A N THR 142.A O no hydrogen 3.047 N/A SER 187.A N VAL 244.A O no hydrogen 2.797 N/A ALA 188.A N SER 144.A O no hydrogen 3.218 N/A GLY 189.A N VAL 246.A O no hydrogen 3.388 N/A SER 197.A OG LEU 194.A O no hydrogen 3.301 N/A GLY 198.A N ALA 195.A O no hydrogen 3.142 N/A ILE 199.A N ALA 196.A O no hydrogen 3.111 N/A ALA 207.A N ARG 203.A O no hydrogen 3.073 N/A HIS 208.A N LYS 204.A O no hydrogen 3.211 N/A GLU 210.A N LEU 206.A O no hydrogen 3.189 N/A ALA 211.A N HIS 208.A O no hydrogen 3.003 N/A VAL 212.A N HIS 208.A O no hydrogen 3.220 N/A THR 213.A OG1 CYS 209.A O no hydrogen 2.402 N/A ARG 216.A N THR 213.A O no hydrogen 2.604 N/A ARG 216.A NH1 THR 213.A O no hydrogen 2.600 N/A ARG 217.A NH1 ASP 223.A OD1 no hydrogen 3.053 N/A ARG 217.A NH2 ASP 223.A OD1 no hydrogen 2.829 N/A THR 220.A OG1 GLU 222.A OE1 no hydrogen 3.520 N/A GLU 222.A N THR 220.A OG1 no hydrogen 2.989 N/A ASP 223.A N THR 220.A OG1 no hydrogen 3.249 N/A VAL 224.A N THR 220.A O no hydrogen 3.129 N/A GLY 225.A N ILE 221.A O no hydrogen 2.843 N/A ASN 226.A N GLU 222.A O no hydrogen 2.847 N/A SER 227.A N ASP 223.A O no hydrogen 3.186 N/A SER 227.A OG ASP 223.A O no hydrogen 3.308 N/A ALA 228.A N VAL 224.A O no hydrogen 2.814 N/A ALA 229.A N GLY 225.A O no hydrogen 2.762 N/A PHE 230.A N ASN 226.A O no hydrogen 3.135 N/A LEU 231.A N SER 227.A O no hydrogen 2.957 N/A CYS 232.A N ALA 228.A O no hydrogen 3.121 N/A CYS 232.A N ALA 229.A O no hydrogen 3.359 N/A CYS 232.A SG ALA 228.A O no hydrogen 3.669 N/A SER 233.A N PHE 230.A O no hydrogen 3.170 N/A SER 233.A OG PHE 230.A O no hydrogen 2.919 N/A LEU 235.A N SER 233.A OG no hydrogen 3.338 N/A SER 236.A N SER 233.A O no hydrogen 3.161 N/A SER 236.A OG PHE 230.A O no hydrogen 2.762 N/A SER 236.A OG SER 233.A O no hydrogen 3.095 N/A ALA 237.A N ASP 234.A O no hydrogen 3.293 N/A ILE 239.A N SER 236.A O no hydrogen 2.926 N/A GLY 241.A N VAL 183.A O no hydrogen 2.569 N/A GLU 242.A N ASN 184.A OD1 no hydrogen 2.958 N/A VAL 244.A N ALA 185.A O no hydrogen 3.034 N/A HIS 245.A NE2 GLU 149.A OE1 no hydrogen 3.319 N/A HIS 245.A NE2 GLU 149.A OE2 no hydrogen 2.938 N/A VAL 246.A N SER 187.A O no hydrogen 2.981 N/A GLY 249.A N ASP 247.A OD2 no hydrogen 3.032 N/A PHE 250.A N ASP 247.A O no hydrogen 3.294 N/A SER 251.A N ASP 247.A OD1 no hydrogen 3.214 N/A SER 251.A OG ASP 247.A OD1 no hydrogen 3.529 N/A ILE 252.A N GLY 249.A O no hydrogen 3.454 N/A ALA 253.A N PHE 250.A O no hydrogen 3.173 N/A