Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u0j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLY 1.A O no hydrogen 2.765 N/A VAL 5.A N GLY 1.A O no hydrogen 3.274 N/A GLY 6.A N MET 2.A O no hydrogen 3.292 N/A TRP 7.A N GLU 3.A O no hydrogen 3.329 N/A LEU 8.A N LEU 4.A O no hydrogen 2.861 N/A VAL 9.A N VAL 5.A O no hydrogen 2.933 N/A ASP 10.A N GLY 6.A O no hydrogen 2.984 N/A LYS 11.A N TRP 7.A O no hydrogen 2.829 N/A GLY 12.A N VAL 9.A O no hydrogen 3.171 N/A ILE 13.A N LEU 8.A O no hydrogen 2.869 N/A THR 14.A N GLN 18.A OE1 no hydrogen 2.974 N/A THR 14.A OG1 GLN 18.A OE1 no hydrogen 3.091 N/A GLN 18.A N SER 15.A OG no hydrogen 3.194 N/A GLN 18.A NE2 GLU 22.A OE2 no hydrogen 2.478 N/A TRP 19.A N SER 15.A O no hydrogen 2.852 N/A TRP 19.A NE1 SER 26.A OG no hydrogen 3.164 N/A ILE 20.A N GLU 16.A O no hydrogen 2.894 N/A GLN 21.A N LYS 17.A O no hydrogen 2.700 N/A GLU 22.A N GLN 18.A O no hydrogen 2.775 N/A ASP 23.A N TRP 19.A O no hydrogen 2.886 N/A SER 26.A N ASP 23.A OD1 no hydrogen 2.657 N/A SER 26.A OG ASP 23.A O no hydrogen 3.027 N/A TYR 27.A N ASP 23.A O no hydrogen 3.193 N/A TYR 27.A OH GLU 16.A OE2 no hydrogen 2.436 N/A ILE 28.A N GLN 24.A O no hydrogen 3.091 N/A SER 29.A N ALA 25.A O no hydrogen 3.033 N/A SER 29.A OG ALA 25.A O no hydrogen 3.230 N/A PHE 30.A N SER 26.A O no hydrogen 2.850 N/A ASN 31.A N TYR 27.A O no hydrogen 2.976 N/A ASN 31.A ND2 TYR 27.A O no hydrogen 2.846 N/A ASN 35.A ND2 TYR 27.A OH no hydrogen 3.079 N/A ARG 37.A NH1 GLU 16.A OE2 no hydrogen 3.165 N/A GLN 39.A N SER 36.A OG no hydrogen 3.060 N/A ILE 40.A N SER 36.A O no hydrogen 3.392 N/A LYS 41.A N ARG 37.A O no hydrogen 3.349 N/A LYS 41.A NZ ASP 45.A OD2 no hydrogen 3.160 N/A ALA 42.A N SER 38.A O no hydrogen 2.876 N/A ALA 43.A N GLN 39.A O no hydrogen 2.902 N/A LEU 44.A N ILE 40.A O no hydrogen 2.933 N/A ASP 45.A N LYS 41.A O no hydrogen 2.779 N/A ASN 46.A N ALA 42.A O no hydrogen 2.756 N/A ALA 47.A N ALA 43.A O no hydrogen 2.687 N/A GLY 48.A N LEU 44.A O no hydrogen 2.781 N/A LYS 49.A N ASP 45.A O no hydrogen 2.862 N/A ILE 50.A N ASN 46.A O no hydrogen 2.915 N/A MET 51.A N ALA 47.A O no hydrogen 2.845 N/A SER 52.A N GLY 48.A O no hydrogen 2.833 N/A SER 52.A OG GLY 48.A O no hydrogen 2.866 N/A SER 52.A OG LYS 49.A O no hydrogen 3.479 N/A LEU 53.A N LYS 49.A O no hydrogen 2.894 N/A THR 54.A N ILE 50.A O no hydrogen 2.931 N/A THR 54.A OG1 ILE 50.A O no hydrogen 2.726 N/A LYS 55.A N MET 51.A O no hydrogen 3.115 N/A THR 56.A N ASP 59.A OD2 no hydrogen 3.093 N/A THR 56.A OG1 ASP 59.A OD2 no hydrogen 3.426 N/A ASP 59.A N THR 56.A O no hydrogen 2.933 N/A TYR 60.A N ALA 57.A O no hydrogen 2.757 N/A TYR 60.A OH VAL 9.A O no hydrogen 2.667 N/A LEU 61.A N ALA 57.A O no hydrogen 2.687 N/A VAL 62.A N PRO 58.A O no hydrogen 3.083 N/A GLY 63.A N LYS 238.A O no hydrogen 2.847 N/A GLN 64.A NE2 ASP 10.A OD1 no hydrogen 3.204 N/A SER 71.A N ASP 69.A OD1 no hydrogen 3.353 N/A SER 71.A OG ASP 69.A OD1 no hydrogen 2.468 N/A SER 71.A OG ASP 69.A OD2 no hydrogen 3.440 N/A SER 72.A OG ASP 69.A O no hydrogen 3.279 N/A ASN 73.A N ILE 70.A O no hydrogen 2.930 N/A ASN 73.A ND2 GLU 236.A O no hydrogen 2.852 N/A ARG 74.A N GLU 236.A OE2 no hydrogen 2.735 N/A ARG 74.A NE PHE 229.A O no hydrogen 2.941 N/A ARG 74.A NH1 GLU 236.A OE1 no hydrogen 2.797 N/A ARG 74.A NH1 GLU 236.A OE2 no hydrogen 3.140 N/A TYR 76.A N ASN 73.A OD1 no hydrogen 3.142 N/A LYS 77.A N ASN 73.A O no hydrogen 2.888 N/A LYS 77.A NZ SER 72.A O no hydrogen 3.228 N/A ILE 78.A N ARG 74.A O no hydrogen 2.847 N/A LEU 79.A N ILE 75.A O no hydrogen 3.021 N/A GLU 80.A N TYR 76.A O no hydrogen 2.896 N/A LEU 81.A N LYS 77.A O no hydrogen 2.717 N/A ASN 82.A N ILE 78.A O no hydrogen 3.233 N/A ASN 82.A N LEU 79.A O no hydrogen 3.216 N/A GLY 83.A N GLU 80.A O no hydrogen 3.031 N/A TYR 84.A N LEU 79.A O no hydrogen 3.056 N/A GLN 87.A N ASP 85.A OD1 no hydrogen 3.144 N/A GLN 87.A NE2 HIS 247.A O no hydrogen 2.785 N/A ALA 89.A N ASP 85.A O no hydrogen 2.719 N/A ALA 90.A N PRO 86.A O no hydrogen 2.763 N/A SER 91.A N GLN 87.A O no hydrogen 3.119 N/A SER 91.A OG GLN 87.A O no hydrogen 2.869 N/A SER 91.A OG VAL 249.A O no hydrogen 3.480 N/A VAL 92.A N TYR 88.A O no hydrogen 3.103 N/A PHE 93.A N ALA 89.A O no hydrogen 2.964 N/A LEU 94.A N ALA 90.A O no hydrogen 2.601 N/A GLY 95.A N SER 91.A O no hydrogen 2.798 N/A TRP 96.A N VAL 92.A O no hydrogen 2.719 N/A TRP 96.A NE1 VAL 187.A O no hydrogen 2.918 N/A ALA 97.A N PHE 93.A O no hydrogen 2.890 N/A THR 98.A N LEU 94.A O no hydrogen 3.038 N/A THR 98.A OG1 LEU 94.A O no hydrogen 3.288 N/A THR 98.A OG1 GLY 95.A O no hydrogen 3.171 N/A LYS 99.A N TRP 96.A O no hydrogen 3.240 N/A LYS 100.A N GLY 95.A O no hydrogen 2.794 N/A ARG 104.A N PHE 101.A O no hydrogen 2.897 N/A ARG 104.A NE MET 216.A O no hydrogen 2.945 N/A ASN 105.A N LYS 103.A O no hydrogen 2.592 N/A ASN 105.A ND2 ILE 170.A O no hydrogen 2.874 N/A ASN 105.A ND2 LEU 171.A O no hydrogen 3.469 N/A ASN 105.A ND2 THR 185.A O no hydrogen 2.807 N/A THR 106.A N ARG 215.A O no hydrogen 2.971 N/A THR 106.A OG1 LEU 171.A O no hydrogen 2.774 N/A ILE 107.A N VAL 187.A O no hydrogen 2.862 N/A TRP 108.A N PHE 217.A O no hydrogen 2.622 N/A TRP 108.A NE1 SER 191.A OG no hydrogen 3.032 N/A LEU 109.A N VAL 189.A O no hydrogen 2.651 N/A PHE 110.A N PHE 219.A O no hydrogen 2.870 N/A GLY 111.A N SER 191.A O no hydrogen 3.289 N/A THR 115.A OG1 PRO 112.A O no hydrogen 2.991 N/A THR 115.A OG1 LEU 221.A O no hydrogen 2.991 N/A LYS 117.A NZ GLY 111.A O no hydrogen 2.879 N/A LYS 117.A NZ PRO 112.A O no hydrogen 2.804 N/A ASN 119.A ND2 GLY 230.A O no hydrogen 2.689 N/A ILE 120.A N GLY 116.A O no hydrogen 3.073 N/A ALA 121.A N LYS 117.A O no hydrogen 2.961 N/A GLU 122.A N THR 118.A O no hydrogen 2.788 N/A ALA 123.A N ASN 119.A O no hydrogen 3.229 N/A ILE 124.A N ILE 120.A O no hydrogen 2.923 N/A ALA 125.A N ALA 121.A O no hydrogen 2.867 N/A HIS 126.A N GLU 122.A O no hydrogen 2.949 N/A THR 127.A N ILE 124.A O no hydrogen 2.915 N/A THR 127.A OG1 ALA 123.A O no hydrogen 2.749 N/A VAL 128.A N ILE 124.A O no hydrogen 3.382 N/A GLY 132.A N VAL 151.A O no hydrogen 2.944 N/A CYS 133.A N ASP 145.A OD2 no hydrogen 2.694 N/A VAL 134.A N TRP 153.A O no hydrogen 3.259 N/A ASN 135.A N PRO 142.A O no hydrogen 2.720 N/A THR 137.A OG1 ASN 135.A OD1 no hydrogen 2.379 N/A ASN 138.A N ASN 135.A O no hydrogen 3.370 N/A PHE 141.A N ASN 138.A OD1 no hydrogen 2.411 N/A CYS 146.A N PHE 143.A O no hydrogen 2.539 N/A LYS 149.A NZ ASP 145.A O no hydrogen 3.065 N/A LYS 149.A NZ VAL 147.A O no hydrogen 2.909 N/A MET 150.A N PHE 130.A O no hydrogen 2.659 N/A ILE 152.A N PRO 186.A O no hydrogen 2.892 N/A TRP 153.A N GLY 132.A O no hydrogen 2.786 N/A TRP 153.A NE1 THR 190.A OG1 no hydrogen 2.923 N/A TRP 154.A N ILE 188.A O no hydrogen 2.842 N/A TRP 154.A NE1 GLU 156.A O no hydrogen 2.906 N/A TRP 154.A NE1 GLY 157.A O no hydrogen 2.960 N/A ALA 161.A N ILE 199.A O no hydrogen 2.779 N/A LYS 162.A NZ GLU 139.A O no hydrogen 3.285 N/A VAL 163.A N THR 160.A O no hydrogen 2.886 N/A ALA 167.A N VAL 163.A O no hydrogen 2.724 N/A LYS 168.A N VAL 164.A O no hydrogen 2.710 N/A LYS 168.A NZ GLU 165.A OE2 no hydrogen 3.376 N/A LYS 168.A NZ HIS 208.A ND1 no hydrogen 2.942 N/A ALA 169.A N GLU 165.A O no hydrogen 3.059 N/A ILE 170.A N SER 166.A O no hydrogen 2.915 N/A LEU 171.A N ALA 167.A O no hydrogen 2.837 N/A GLY 172.A N LYS 168.A O no hydrogen 2.746 N/A GLY 173.A N ILE 170.A O no hydrogen 3.174 N/A SER 174.A N ALA 169.A O no hydrogen 2.803 N/A VAL 176.A N ILE 182.A O no hydrogen 3.072 N/A VAL 178.A N ALA 180.A O no hydrogen 2.804 N/A GLN 181.A NE2 ASP 183.A OD1 no hydrogen 3.432 N/A ILE 182.A N VAL 176.A O no hydrogen 2.619 N/A THR 185.A OG1 LYS 149.A O no hydrogen 3.526 N/A THR 185.A OG1 ASP 183.A O no hydrogen 2.757 N/A VAL 187.A N ASN 105.A O no hydrogen 3.019 N/A ILE 188.A N ILE 152.A O no hydrogen 2.726 N/A VAL 189.A N ILE 107.A O no hydrogen 2.808 N/A THR 190.A N TRP 154.A O no hydrogen 3.127 N/A SER 191.A N LEU 109.A O no hydrogen 3.122 N/A SER 191.A OG THR 193.A O no hydrogen 2.615 N/A ASN 194.A ND2 GLN 209.A OE1 no hydrogen 3.431 N/A CYS 196.A N ASN 194.A OD1 no hydrogen 2.917 N/A ALA 197.A N ASN 194.A O no hydrogen 3.156 N/A VAL 198.A N THR 205.A O no hydrogen 2.840 N/A ILE 199.A N MET 159.A O no hydrogen 2.818 N/A ASP 200.A N SER 203.A O no hydrogen 2.683 N/A SER 203.A N ASP 200.A O no hydrogen 2.788 N/A SER 203.A OG THR 205.A OG1 no hydrogen 3.299 N/A THR 205.A N VAL 198.A O no hydrogen 2.746 N/A THR 205.A OG1 SER 203.A OG no hydrogen 3.299 N/A GLN 209.A N PHE 206.A O no hydrogen 2.873 N/A GLN 210.A NE2 ASP 214.A OD1 no hydrogen 2.737 N/A LEU 212.A N HIS 208.A O no hydrogen 2.989 N/A GLN 213.A N GLN 209.A O no hydrogen 2.835 N/A ASP 214.A N GLN 210.A O no hydrogen 2.989 N/A ARG 215.A N LEU 212.A O no hydrogen 3.129 N/A MET 216.A N GLN 213.A O no hydrogen 3.298 N/A PHE 217.A N THR 106.A O no hydrogen 2.731 N/A LYS 218.A N PHE 255.A O no hydrogen 2.676 N/A LYS 218.A NZ GLU 220.A OE2 no hydrogen 3.036 N/A PHE 219.A N TRP 108.A O no hydrogen 2.771 N/A GLU 220.A N TYR 84.A OH no hydrogen 2.696 N/A LEU 221.A N PHE 110.A O no hydrogen 2.647 N/A LEU 225.A N THR 114.A O no hydrogen 2.627 N/A PHE 229.A N ASP 226.A O no hydrogen 2.926 N/A LYS 231.A NZ GLU 122.A OE2 no hydrogen 2.305 N/A VAL 232.A N ASN 119.A OD1 no hydrogen 2.621 N/A THR 233.A N GLU 236.A OE1 no hydrogen 3.040 N/A LYS 234.A NZ GLU 22.A OE1 no hydrogen 3.479 N/A LYS 234.A NZ GLU 22.A OE2 no hydrogen 3.210 N/A GLU 236.A N THR 233.A OG1 no hydrogen 3.076 N/A VAL 237.A N THR 233.A O no hydrogen 3.032 N/A LYS 238.A N LYS 234.A O no hydrogen 2.943 N/A LYS 238.A NZ TYR 60.A O no hydrogen 2.811 N/A ASP 239.A N GLN 235.A O no hydrogen 2.826 N/A PHE 240.A N GLU 236.A O no hydrogen 2.845 N/A PHE 241.A N VAL 237.A O no hydrogen 2.982 N/A ARG 242.A N LYS 238.A O no hydrogen 2.891 N/A ARG 242.A NE ASP 246.A OD1 no hydrogen 3.477 N/A ARG 242.A NE ASP 246.A OD2 no hydrogen 2.535 N/A ARG 242.A NH1 GLY 63.A O no hydrogen 3.237 N/A ARG 242.A NH1 GLN 64.A O no hydrogen 3.047 N/A TRP 243.A N ASP 239.A O no hydrogen 2.720 N/A ALA 244.A N PHE 240.A O no hydrogen 2.880 N/A LYS 245.A N PHE 241.A O no hydrogen 2.948 N/A ASP 246.A N ARG 242.A O no hydrogen 2.921 N/A HIS 247.A N ALA 244.A O no hydrogen 3.189 N/A HIS 247.A ND1 TRP 243.A O no hydrogen 2.744 N/A VAL 249.A N SER 91.A OG no hydrogen 2.959 N/A GLU 252.A N TYR 88.A OH no hydrogen 2.934 N/A GLU 254.A N GLU 252.A O no hydrogen 2.696 N/A VAL 257.A N LYS 218.A O no hydrogen 3.160 N/A LYS 258.A NZ GLY 261.A O no hydrogen 2.899 N/A LYS 258.A NZ GLY 261.A OXT no hydrogen 3.090 N/A