Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dgg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ SER 75.A OG no hydrogen 3.194 N/A LYS 2.A NZ GLU 76.A OE2.B no hydrogen 2.892 N/A TRP 5.A N ASP 3.A OD1 no hydrogen 3.221 N/A GLU 6.A N ASP 3.A O no hydrogen 3.382 N/A ILE 7.A N VAL 73.A O no hydrogen 3.229 N/A ARG 9.A NH1 PRO 78.A O no hydrogen 2.871 N/A ARG 9.A NH2 PRO 78.A O no hydrogen 2.895 N/A SER 11.A N PRO 8.A O no hydrogen 3.391 N/A SER 11.A OG PRO 8.A O no hydrogen 2.590 N/A LEU 12.A N ARG 9.A O no hydrogen 3.462 N/A ARG 13.A N THR 30.A O no hydrogen 2.911 N/A GLU 15.A N MET 28.A O no hydrogen 2.976 N/A VAL 16.A N MET 28.A O no hydrogen 3.330 N/A LEU 18.A N VAL 26.A O no hydrogen 2.775 N/A GLY 19.A N VAL 26.A O no hydrogen 3.278 N/A GLN 20.A NE2 GLY 24.A O no hydrogen 3.451 N/A GLU 25.A N THR 41.A O no hydrogen 3.060 N/A VAL 26.A N GLY 19.A O no hydrogen 2.999 N/A TRP 27.A N ILE 39.A O no hydrogen 2.769 N/A TRP 27.A NE1 GLU 25.A OE1 no hydrogen 3.222 N/A MET 28.A N VAL 16.A O no hydrogen 2.878 N/A GLY 29.A N VAL 37.A O no hydrogen 2.835 N/A THR 30.A N ARG 13.A O no hydrogen 2.907 N/A THR 30.A OG1 GLU 15.A OE1 no hydrogen 3.101 N/A THR 30.A OG1 GLU 15.A OE2 no hydrogen 3.458 N/A TRP 31.A N THR 35.A O no hydrogen 2.759 N/A ASN 32.A N SER 11.A O no hydrogen 2.838 N/A THR 34.A N TRP 31.A O no hydrogen 3.257 N/A THR 34.A OG1 ASN 32.A O no hydrogen 3.508 N/A THR 34.A OG1 THR 35.A OG1 no hydrogen 3.236 N/A THR 35.A OG1 TRP 31.A O no hydrogen 3.474 N/A THR 35.A OG1 THR 34.A OG1 no hydrogen 3.236 N/A ARG 36.A NH1 GLU 15.A OE2 no hydrogen 2.821 N/A VAL 37.A N GLY 29.A O no hydrogen 2.937 N/A ALA 38.A N THR 83.A O no hydrogen 2.966 N/A ILE 39.A N TRP 27.A O no hydrogen 2.728 N/A LYS 40.A N ILE 81.A O no hydrogen 2.851 N/A THR 41.A N GLU 25.A O no hydrogen 2.901 N/A THR 41.A OG1 GLU 25.A O no hydrogen 3.566 N/A LEU 42.A N ILE 79.A O no hydrogen 3.172 N/A THR 46.A N LYS 43.A O no hydrogen 3.081 N/A THR 46.A OG1 LYS 43.A O no hydrogen 2.715 N/A ALA 51.A N SER 48.A O no hydrogen 2.844 N/A PHE 52.A N SER 48.A O no hydrogen 3.060 N/A LEU 53.A N PRO 49.A O no hydrogen 3.109 N/A GLN 57.A N LEU 53.A O no hydrogen 3.458 N/A LYS 60.A N ALA 56.A O no hydrogen 2.939 N/A LYS 60.A NZ ASP 3.A OD2 no hydrogen 2.932 N/A LYS 61.A N GLN 57.A O no hydrogen 2.744 N/A LYS 61.A N VAL 58.A O no hydrogen 3.289 N/A LEU 62.A N VAL 58.A O no hydrogen 3.160 N/A ARG 63.A N TYR 121.A OH no hydrogen 3.048 N/A LYS 66.A N HIS 64.A ND1 no hydrogen 3.168 N/A LYS 66.A NZ GLN 114.A OE1 no hydrogen 2.730 N/A LEU 67.A N HIS 64.A O no hydrogen 2.981 N/A VAL 68.A N VAL 147.A O no hydrogen 2.998 N/A GLN 69.A N GLU 84.A OE1 no hydrogen 2.822 N/A GLN 69.A NE2 LEU 70.A O no hydrogen 3.076 N/A TYR 71.A N VAL 82.A O no hydrogen 2.744 N/A ALA 72.A N VAL 82.A O no hydrogen 3.151 N/A VAL 73.A N TRP 5.A O no hydrogen 3.042 N/A VAL 74.A N TYR 80.A O no hydrogen 2.746 N/A TYR 80.A N VAL 74.A O no hydrogen 3.062 N/A ILE 81.A N LYS 40.A O no hydrogen 2.984 N/A VAL 82.A N ALA 72.A O no hydrogen 2.902 N/A THR 83.A N ALA 38.A O no hydrogen 2.941 N/A THR 83.A OG1 GLU 84.A O no hydrogen 3.295 N/A GLU 84.A N GLN 69.A O no hydrogen 2.985 N/A SER 87.A OG GLU 141.A OE1 no hydrogen 2.773 N/A LYS 88.A N VAL 139.A O no hydrogen 2.890 N/A GLY 89.A N MET 86.A O no hydrogen 3.291 N/A LEU 91.A N ILE 137.A O no hydrogen 2.685 N/A ASP 93.A N SER 90.A OG no hydrogen 3.208 N/A PHE 94.A N SER 90.A O no hydrogen 3.103 N/A LEU 95.A N LEU 91.A O no hydrogen 2.937 N/A LYS 96.A N LEU 92.A O no hydrogen 3.175 N/A GLY 97.A N ASP 93.A O no hydrogen 2.955 N/A GLY 97.A N PHE 94.A O no hydrogen 3.324 N/A GLY 100.A N GLY 97.A O no hydrogen 3.128 N/A TYR 102.A N MET 99.A O no hydrogen 2.925 N/A LEU 103.A N MET 99.A O no hydrogen 3.332 N/A ARG 104.A N GLN 107.A OE1 no hydrogen 2.748 N/A ARG 104.A NH1 LYS 101.A O no hydrogen 2.714 N/A ARG 104.A NH1 LEU 103.A O no hydrogen 3.092 N/A LEU 105.A N LEU 261.A O no hydrogen 3.221 N/A LEU 108.A N ARG 104.A O no hydrogen 2.988 N/A VAL 109.A N LEU 105.A O no hydrogen 2.685 N/A ASP 110.A N PRO 106.A O no hydrogen 3.003 N/A MET 111.A N GLN 107.A O no hydrogen 2.993 N/A ALA 112.A N LEU 108.A O no hydrogen 3.164 N/A ALA 113.A N VAL 109.A O no hydrogen 2.848 N/A GLN 114.A N ASP 110.A O no hydrogen 3.160 N/A GLN 114.A NE2 ASP 110.A O no hydrogen 3.558 N/A GLN 114.A NE2 LEU 143.A O no hydrogen 2.911 N/A ILE 115.A N MET 111.A O no hydrogen 3.116 N/A ALA 116.A N ALA 112.A O no hydrogen 2.951 N/A SER 117.A N ALA 113.A O no hydrogen 2.854 N/A GLY 118.A N GLN 114.A O no hydrogen 3.009 N/A MET 119.A N ILE 115.A O no hydrogen 2.780 N/A ALA 120.A N ALA 116.A O no hydrogen 2.839 N/A TYR 121.A N SER 117.A O no hydrogen 3.175 N/A VAL 122.A N GLY 118.A O no hydrogen 3.075 N/A GLU 123.A N MET 119.A O no hydrogen 2.858 N/A ARG 124.A N ALA 120.A O no hydrogen 2.997 N/A MET 125.A N TYR 121.A O no hydrogen 3.078 N/A ASN 126.A N GLU 123.A O no hydrogen 3.169 N/A TYR 127.A N VAL 122.A O no hydrogen 3.060 N/A HIS 129.A N ASP 172.A OD2 no hydrogen 2.644 N/A HIS 129.A NE2 ALA 148.A O no hydrogen 2.928 N/A ARG 130.A N ASP 172.A OD1 no hydrogen 3.107 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.190 N/A ALA 134.A N GLU 182.A OE2 no hydrogen 3.060 N/A ASN 136.A N ARG 133.A O no hydrogen 2.769 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.489 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 2.804 N/A ILE 137.A N ALA 134.A O no hydrogen 3.140 N/A LEU 138.A N LYS 146.A O no hydrogen 3.059 N/A VAL 139.A N GLY 89.A O no hydrogen 2.847 N/A GLY 140.A N VAL 144.A O no hydrogen 2.830 N/A VAL 144.A N GLU 141.A O no hydrogen 3.295 N/A CYS 145.A N GLN 114.A OE1 no hydrogen 3.031 N/A CYS 145.A SG LEU 143.A O no hydrogen 3.694 N/A LYS 146.A N LEU 138.A O no hydrogen 2.888 N/A LYS 146.A NZ GLU 65.A O no hydrogen 2.950 N/A LYS 146.A NZ GLU 84.A OE1 no hydrogen 3.341 N/A LYS 146.A NZ GLU 84.A OE2 no hydrogen 3.053 N/A VAL 147.A N LYS 66.A O no hydrogen 2.812 N/A ALA 148.A N ASN 136.A O no hydrogen 2.990 N/A GLY 151.A N HIS 129.A O no hydrogen 3.123 N/A ILE 154.A N PHE 152.A O no hydrogen 2.873 N/A LYS 155.A NZ PRO 190.A O no hydrogen 3.238 N/A LYS 155.A NZ TYR 191.A O no hydrogen 3.432 N/A LYS 155.A NZ MET 194.A O no hydrogen 2.925 N/A TRP 156.A N PRO 153.A O no hydrogen 3.352 N/A TRP 156.A NE1 GLU 182.A OE2 no hydrogen 2.970 N/A THR 157.A N ILE 154.A O no hydrogen 3.233 N/A THR 157.A OG1 PRO 153.A O no hydrogen 2.818 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.769 N/A ALA 161.A N ALA 158.A O no hydrogen 2.949 N/A ALA 162.A N ALA 158.A O no hydrogen 3.017 N/A LEU 163.A N PRO 159.A O no hydrogen 2.853 N/A TYR 164.A N GLU 160.A O no hydrogen 3.049 N/A GLY 165.A N ALA 161.A O no hydrogen 2.995 N/A ARG 166.A N GLU 160.A O no hydrogen 3.249 N/A PHE 167.A N GLY 165.A O no hydrogen 2.995 N/A THR 168.A N SER 171.A OG no hydrogen 2.850 N/A LYS 170.A NZ ARG 234.A O no hydrogen 2.921 N/A SER 171.A N THR 168.A O no hydrogen 2.906 N/A SER 171.A N THR 168.A OG1 no hydrogen 3.359 N/A SER 171.A OG THR 168.A O no hydrogen 2.742 N/A ASP 172.A N THR 168.A O no hydrogen 3.113 N/A VAL 173.A N ILE 169.A O no hydrogen 2.983 N/A TRP 174.A N LYS 170.A O no hydrogen 3.382 N/A SER 175.A N SER 171.A O no hydrogen 3.338 N/A SER 175.A OG TRP 156.A O no hydrogen 2.405 N/A SER 175.A OG SER 171.A O no hydrogen 3.381 N/A PHE 176.A N ASP 172.A O no hydrogen 2.968 N/A GLY 177.A N VAL 173.A O no hydrogen 3.022 N/A ILE 178.A N TRP 174.A O no hydrogen 3.261 N/A LEU 179.A N SER 175.A O no hydrogen 2.820 N/A LEU 180.A N PHE 176.A O no hydrogen 2.924 N/A THR 181.A N ILE 178.A O no hydrogen 2.844 N/A THR 181.A OG1 ILE 178.A O no hydrogen 2.609 N/A GLU 182.A N ILE 178.A O no hydrogen 3.210 N/A LEU 183.A N LEU 179.A O no hydrogen 2.862 N/A THR 184.A N LEU 180.A O no hydrogen 2.985 N/A THR 184.A OG1 LEU 180.A O no hydrogen 3.038 N/A THR 184.A OG1 THR 181.A O no hydrogen 3.266 N/A THR 185.A N THR 181.A O no hydrogen 2.908 N/A THR 185.A OG1 THR 181.A O no hydrogen 2.766 N/A LYS 186.A N LEU 183.A O no hydrogen 3.469 N/A LYS 186.A NZ GLY 100.A O no hydrogen 2.591 N/A LYS 186.A NZ ASN 260.A O no hydrogen 3.504 N/A GLY 187.A N GLU 182.A O no hydrogen 2.671 N/A ARG 188.A N THR 185.A OG1 no hydrogen 3.284 N/A MET 194.A N TYR 191.A O no hydrogen 3.080 N/A VAL 195.A N GLU 198.A OE1 no hydrogen 3.092 N/A ASN 196.A ND2 PHE 152.A O no hydrogen 3.560 N/A VAL 199.A N VAL 195.A O no hydrogen 3.241 N/A VAL 199.A N ASN 196.A O no hydrogen 3.056 N/A LEU 200.A N ASN 196.A O no hydrogen 3.449 N/A ASP 201.A N ARG 197.A O no hydrogen 3.396 N/A GLN 202.A N GLU 198.A O no hydrogen 3.099 N/A VAL 203.A N VAL 199.A O no hydrogen 2.923 N/A GLU 204.A N LEU 200.A O no hydrogen 2.927 N/A ARG 205.A N ASP 201.A O no hydrogen 3.357 N/A ARG 205.A N GLN 202.A O no hydrogen 3.102 N/A GLY 206.A N VAL 203.A O no hydrogen 3.140 N/A TYR 207.A N GLN 202.A O no hydrogen 3.047 N/A ARG 208.A NE TRP 227.A O no hydrogen 2.822 N/A ARG 208.A NH1 VAL 203.A O no hydrogen 3.062 N/A ARG 208.A NH1 TYR 207.A O no hydrogen 2.857 N/A ARG 208.A NH2 TRP 227.A O no hydrogen 2.746 N/A CYS 211.A SG PRO 212.A O no hydrogen 3.868 N/A CYS 211.A SG CYS 215.A O no hydrogen 2.992 N/A CYS 211.A SG GLU 217.A OE1 no hydrogen 3.494 N/A CYS 215.A N PRO 212.A O no hydrogen 3.125 N/A CYS 215.A SG PRO 216.A O no hydrogen 3.373 N/A SER 218.A OG GLU 252.A OE1 no hydrogen 2.659 N/A LEU 219.A N PRO 216.A O no hydrogen 2.992 N/A HIS 220.A N PRO 216.A O no hydrogen 3.306 N/A HIS 220.A ND1 GLU 217.A OE2 no hydrogen 2.918 N/A HIS 220.A NE2 MET 209.A O no hydrogen 2.808 N/A ASP 221.A N GLU 217.A O no hydrogen 2.904 N/A LEU 222.A N SER 218.A O no hydrogen 3.412 N/A MET 223.A N LEU 219.A O no hydrogen 3.166 N/A CYS 224.A N HIS 220.A O no hydrogen 3.013 N/A CYS 224.A SG HIS 220.A O no hydrogen 3.350 N/A GLN 225.A N ASP 221.A O no hydrogen 2.863 N/A CYS 226.A N LEU 222.A O no hydrogen 3.124 N/A CYS 226.A SG LEU 222.A O no hydrogen 3.485 N/A TRP 227.A N MET 223.A O no hydrogen 3.101 N/A TRP 227.A N CYS 224.A O no hydrogen 3.326 N/A ARG 228.A NH1 GLU 233.A O no hydrogen 2.661 N/A GLU 232.A N ASP 230.A OD1 no hydrogen 3.402 N/A GLU 233.A N ASP 230.A O no hydrogen 3.061 N/A ARG 234.A N PRO 231.A O no hydrogen 3.218 N/A ARG 234.A NE ARG 228.A O no hydrogen 2.929 N/A ARG 234.A NH1 GLU 160.A OE2 no hydrogen 2.623 N/A ARG 234.A NH1 LYS 170.A O no hydrogen 3.001 N/A ARG 234.A NH2 GLU 160.A OE1 no hydrogen 3.031 N/A ARG 234.A NH2 GLU 160.A OE2 no hydrogen 3.453 N/A ARG 234.A NH2 ARG 228.A O no hydrogen 3.036 N/A PHE 237.A N GLU 123.A OE1 no hydrogen 2.941 N/A PHE 237.A N GLU 123.A OE2 no hydrogen 3.239 N/A GLU 238.A N GLU 123.A OE1 no hydrogen 3.365 N/A TYR 239.A N THR 236.A OG1 no hydrogen 3.094 N/A LEU 240.A N THR 236.A O no hydrogen 3.003 N/A GLN 241.A N PHE 237.A O no hydrogen 2.637 N/A GLN 241.A NE2 GLU 245.A OE2 no hydrogen 2.823 N/A ALA 242.A N GLU 238.A O no hydrogen 3.192 N/A PHE 243.A N TYR 239.A O no hydrogen 2.848 N/A LEU 244.A N LEU 240.A O no hydrogen 3.005 N/A GLU 245.A N GLN 241.A O no hydrogen 2.870 N/A ASP 246.A N ALA 242.A O no hydrogen 2.982 N/A TYR 247.A N LEU 244.A O no hydrogen 3.392 N/A TYR 247.A OH SER 218.A OG no hydrogen 2.776 N/A THR 249.A N ASP 246.A O no hydrogen 3.071 N/A SER 250.A N ASP 246.A O no hydrogen 3.019 N/A SER 250.A OG ASP 246.A O no hydrogen 3.447 N/A THR 251.A N TYR 247.A O no hydrogen 3.017 N/A GLU 252.A N TYR 247.A O no hydrogen 2.902 N/A TYR 255.A OH LEU 261.A O no hydrogen 2.607 N/A GLY 258.A N LEU 261.A OXT no hydrogen 2.729 N/A ASN 260.A N GLU 214.A OE2 no hydrogen 3.013 N/A ASN 260.A ND2 GLU 214.A OE1 no hydrogen 2.977 N/A LEU 261.A N GLU 214.A OE2 no hydrogen 3.252 N/A