Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u0j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 ASP 122.A OD1 no hydrogen 2.415 N/A HIS 3.A N GLU 100.A OE1 no hydrogen 3.150 N/A TYR 4.A OH ASP 122.A OD1 no hydrogen 3.235 N/A TYR 4.A OH ASP 122.A OD2 no hydrogen 2.356 N/A SER 5.A N SER 115.A OG no hydrogen 2.906 N/A SER 5.A OG GLU 57.A OE2 no hydrogen 2.792 N/A SER 5.A OG SER 115.A OG no hydrogen 3.289 N/A THR 6.A N ASP 9.A OD2 no hydrogen 2.917 N/A ASP 9.A N THR 6.A OG1 no hydrogen 3.385 N/A ARG 10.A N THR 6.A O no hydrogen 3.143 N/A ARG 10.A NH1 SER 5.A O no hydrogen 3.078 N/A ARG 10.A NH1 SER 5.A OG no hydrogen 3.122 N/A HIS 11.A N GLY 7.A O no hydrogen 3.206 N/A ASP 12.A N GLN 8.A O no hydrogen 2.909 N/A PHE 13.A N ASP 9.A O no hydrogen 2.719 N/A TYR 14.A N ARG 10.A O no hydrogen 3.000 N/A TYR 14.A OH ASP 32.A OD1 no hydrogen 2.539 N/A ARG 15.A N HIS 11.A O no hydrogen 3.060 N/A PHE 16.A N ASP 12.A O no hydrogen 2.810 N/A ALA 17.A N PHE 13.A O no hydrogen 2.804 N/A ALA 18.A N TYR 14.A O no hydrogen 2.895 N/A ARG 19.A N PHE 16.A O no hydrogen 3.206 N/A LEU 20.A N ALA 17.A O no hydrogen 3.159 N/A HIS 21.A N SER 70.A O no hydrogen 2.851 N/A ASP 23.A N ASP 68.A O no hydrogen 2.799 N/A GLN 25.A N ASP 23.A OD1 no hydrogen 2.811 N/A GLN 25.A NE2 GLU 77.A OE1 no hydrogen 3.195 N/A CYS 26.A SG ASP 23.A O no hydrogen 3.221 N/A SER 30.A N ASP 33.A OD2 no hydrogen 3.000 N/A SER 30.A OG ASP 33.A OD2 no hydrogen 3.050 N/A ASP 33.A N SER 30.A OG no hydrogen 3.352 N/A LEU 34.A N SER 30.A O no hydrogen 2.982 N/A MET 35.A N ILE 31.A O no hydrogen 2.856 N/A ASP 36.A N ASP 32.A O no hydrogen 2.940 N/A LYS 37.A N ASP 33.A O no hydrogen 2.925 N/A PHE 38.A N LEU 34.A O no hydrogen 3.026 N/A SER 39.A N ASP 36.A O no hydrogen 3.250 N/A SER 39.A OG MET 35.A O no hydrogen 2.801 N/A SER 39.A OG ASP 36.A O no hydrogen 3.284 N/A HIS 42.A N ASP 40.A OD1 no hydrogen 2.623 N/A PHE 43.A N ASP 40.A O no hydrogen 3.007 N/A ARG 44.A NE TYR 50.A O no hydrogen 2.716 N/A ARG 44.A NE VAL 53.A O no hydrogen 3.119 N/A ARG 44.A NH1 PHE 38.A O no hydrogen 2.742 N/A ARG 44.A NH2 PHE 38.A O no hydrogen 3.122 N/A ARG 44.A NH2 VAL 53.A O no hydrogen 2.662 N/A ALA 45.A N HIS 42.A O no hydrogen 2.696 N/A GLU 46.A N HIS 42.A O no hydrogen 2.977 N/A HIS 47.A N PHE 43.A O no hydrogen 3.019 N/A HIS 47.A ND1 PHE 43.A O no hydrogen 3.199 N/A TYR 50.A N HIS 47.A O no hydrogen 2.816 N/A TYR 50.A OH SER 195.A OG no hydrogen 2.922 N/A ARG 51.A N PRO 48.A O no hydrogen 3.063 N/A VAL 53.A N TYR 50.A O no hydrogen 3.015 N/A TYR 54.A N GLU 57.A OE1 no hydrogen 2.594 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.737 N/A CYS 58.A N TYR 54.A O no hydrogen 3.099 N/A CYS 58.A SG TYR 54.A O no hydrogen 3.561 N/A SER 59.A N PRO 55.A O no hydrogen 2.721 N/A SER 59.A OG PRO 55.A O no hydrogen 2.870 N/A ALA 60.A N GLU 56.A O no hydrogen 2.922 N/A ILE 61.A N GLU 57.A O no hydrogen 3.075 N/A TYR 62.A N CYS 58.A O no hydrogen 2.954 N/A MET 63.A N SER 59.A O no hydrogen 2.790 N/A HIS 64.A N ALA 60.A O no hydrogen 2.888 N/A HIS 64.A ND1 HIS 109.A NE2 no hydrogen 2.992 N/A THR 65.A N ILE 61.A O no hydrogen 2.939 N/A THR 65.A OG1 TYR 62.A O no hydrogen 2.791 N/A ALA 66.A N MET 63.A O no hydrogen 3.424 N/A TYR 69.A OH LEU 29.A O no hydrogen 2.755 N/A SER 70.A N HIS 21.A O no hydrogen 3.094 N/A SER 70.A OG HIS 72.A O no hydrogen 3.318 N/A SER 70.A OG THR 80.A O no hydrogen 2.563 N/A SER 71.A OG HIS 72.A ND1 no hydrogen 3.033 N/A SER 71.A OG GLU 85.A OE1 no hydrogen 2.505 N/A HIS 72.A N SER 70.A OG no hydrogen 3.107 N/A HIS 72.A ND1 SER 71.A OG no hydrogen 3.033 N/A VAL 74.A N GLU 77.A O no hydrogen 2.763 N/A GLU 77.A N VAL 74.A O no hydrogen 2.982 N/A GLY 79.A N HIS 72.A O no hydrogen 2.813 N/A LEU 82.A N TYR 69.A O no hydrogen 2.731 N/A GLU 85.A N PRO 81.A O no hydrogen 3.125 N/A VAL 86.A N LEU 82.A O no hydrogen 2.909 N/A ASN 87.A N TYR 83.A O no hydrogen 2.684 N/A ASN 88.A N ARG 84.A O no hydrogen 2.932 N/A TYR 89.A N GLU 85.A O no hydrogen 2.954 N/A LEU 90.A N VAL 86.A O no hydrogen 2.927 N/A ARG 91.A N ASN 87.A O no hydrogen 3.056 N/A ARG 91.A NH1 GLU 156.A OE1 no hydrogen 3.570 N/A LEU 92.A N ASN 88.A O no hydrogen 2.833 N/A GLN 93.A N TYR 89.A O no hydrogen 3.027 N/A ARG 99.A NH2 GLU 211.A OE1 no hydrogen 3.237 N/A LEU 106.A N ASP 103.A O no hydrogen 2.745 N/A SER 107.A N ASP 103.A O no hydrogen 2.703 N/A HIS 109.A NE2 HIS 64.A ND1 no hydrogen 2.992 N/A ILE 110.A N LEU 106.A O no hydrogen 3.137 N/A LYS 111.A N SER 107.A O no hydrogen 2.892 N/A LYS 111.A NZ ASP 9.A OD1 no hydrogen 2.758 N/A MET 112.A N PRO 108.A O no hydrogen 3.047 N/A LEU 113.A N HIS 109.A O no hydrogen 2.936 N/A SER 114.A N ILE 110.A O no hydrogen 3.016 N/A SER 114.A OG ILE 110.A O no hydrogen 3.023 N/A SER 115.A N LYS 111.A O no hydrogen 2.865 N/A SER 115.A OG SER 5.A OG no hydrogen 3.289 N/A SER 115.A OG GLU 57.A OE2 no hydrogen 2.630 N/A ALA 116.A N MET 112.A O no hydrogen 2.874 N/A LEU 117.A N LEU 113.A O no hydrogen 3.111 N/A ASN 118.A N SER 114.A O no hydrogen 3.061 N/A ASN 118.A ND2 HIS 3.A O no hydrogen 2.937 N/A ASN 118.A ND2 GLU 100.A OE1 no hydrogen 3.008 N/A ARG 119.A N SER 115.A O no hydrogen 2.904 N/A ARG 119.A NE GLU 57.A OE2 no hydrogen 2.667 N/A LEU 120.A N ALA 116.A O no hydrogen 3.115 N/A MET 121.A N LEU 117.A O no hydrogen 2.823 N/A ASP 122.A N ASN 118.A O no hydrogen 2.848 N/A VAL 123.A N LEU 120.A O no hydrogen 3.111 N/A ALA 124.A N LEU 120.A O no hydrogen 2.761 N/A PHE 126.A N GLY 189.A O no hydrogen 2.682 N/A GLY 128.A N LEU 186.A O no hydrogen 3.175 N/A VAL 130.A N ILE 184.A O no hydrogen 2.833 N/A TYR 131.A N THR 163.A O no hydrogen 2.842 N/A ARG 132.A N PHE 182.A O no hydrogen 2.930 N/A ILE 134.A N ILE 180.A O no hydrogen 2.819 N/A ARG 135.A NH1 PRO 177.A O no hydrogen 2.768 N/A GLY 136.A N ASN 179.A OD1 no hydrogen 2.996 N/A ILE 141.A N ASP 137.A O no hydrogen 3.056 N/A ALA 142.A N LEU 138.A O no hydrogen 2.801 N/A ARG 143.A N ASP 139.A O no hydrogen 2.956 N/A LEU 144.A N THR 140.A O no hydrogen 3.187 N/A LEU 144.A N ILE 141.A O no hydrogen 3.172 N/A TYR 145.A N ILE 141.A O no hydrogen 3.190 N/A TYR 145.A OH HIS 225.A ND1 no hydrogen 2.741 N/A HIS 146.A N ALA 142.A O no hydrogen 3.049 N/A LEU 147.A N ARG 143.A O no hydrogen 3.020 N/A PHE 148.A N LEU 144.A O no hydrogen 3.097 N/A ASP 149.A N TYR 145.A O no hydrogen 2.771 N/A THR 150.A N HIS 146.A O no hydrogen 3.035 N/A THR 150.A OG1 HIS 146.A O no hydrogen 2.789 N/A GLY 151.A N PHE 148.A O no hydrogen 3.437 N/A GLY 152.A N LEU 147.A O no hydrogen 2.929 N/A ARG 153.A NH1 GLU 211.A OE2 no hydrogen 3.231 N/A TYR 154.A N PHE 212.A O no hydrogen 2.732 N/A GLU 156.A N SER 210.A O no hydrogen 3.006 N/A ALA 158.A N GLU 156.A OE1 no hydrogen 2.754 N/A SER 161.A OG GLU 203.A OE2 no hydrogen 2.743 N/A THR 162.A N ILE 204.A O no hydrogen 3.022 N/A THR 162.A OG1 ILE 204.A O no hydrogen 2.768 N/A THR 163.A N TYR 131.A O no hydrogen 3.064 N/A THR 163.A OG1 GLU 201.A O no hydrogen 2.811 N/A ARG 164.A N GLU 202.A O no hydrogen 3.290 N/A ARG 164.A NE GLU 202.A O no hydrogen 3.487 N/A ARG 164.A NH2 ASP 191.A OD2 no hydrogen 2.637 N/A ILE 165.A N THR 163.A OG1 no hydrogen 2.975 N/A SER 168.A N ILE 165.A O no hydrogen 2.916 N/A SER 168.A OG GLU 201.A OE2 no hydrogen 3.017 N/A ALA 169.A N LYS 166.A O no hydrogen 3.165 N/A GLN 170.A N ASP 167.A O no hydrogen 2.849 N/A THR 176.A N GLU 173.A O no hydrogen 3.118 N/A THR 176.A OG1 GLU 173.A O no hydrogen 2.696 N/A ASN 179.A N ILE 134.A O no hydrogen 2.924 N/A ASN 179.A ND2 GLY 136.A O no hydrogen 3.210 N/A ILE 180.A N ILE 134.A O no hydrogen 3.086 N/A ALA 181.A N HIS 225.A O no hydrogen 2.876 N/A PHE 182.A N ARG 132.A O no hydrogen 2.690 N/A GLN 183.A N PHE 227.A O no hydrogen 2.990 N/A ILE 184.A N VAL 130.A O no hydrogen 2.769 N/A SER 185.A N LEU 229.A O no hydrogen 2.843 N/A SER 185.A OG LEU 229.A O no hydrogen 3.176 N/A LEU 186.A N GLY 128.A O no hydrogen 2.778 N/A LYS 187.A N GLN 231.A OE1 no hydrogen 2.762 N/A ARG 188.A N GLN 231.A OE1 no hydrogen 2.890 N/A GLY 189.A N PHE 126.A O no hydrogen 2.871 N/A ALA 190.A N MET 205.A O no hydrogen 3.075 N/A ILE 192.A N GLU 203.A O no hydrogen 3.395 N/A SER 193.A N ASP 191.A OD1 no hydrogen 2.854 N/A SER 193.A OG ASP 191.A OD1 no hydrogen 2.664 N/A SER 195.A N ILE 192.A O no hydrogen 2.891 N/A SER 195.A OG TYR 50.A OH no hydrogen 2.922 N/A SER 196.A N SER 193.A O no hydrogen 3.259 N/A SER 196.A OG ALA 198.A O no hydrogen 3.335 N/A SER 196.A OG GLU 203.A OE1 no hydrogen 3.192 N/A GLN 197.A N THR 65.A OG1 no hydrogen 2.834 N/A GLN 197.A NE2 TYR 62.A OH no hydrogen 3.153 N/A GLN 197.A NE2 ASP 68.A OD2 no hydrogen 2.847 N/A ALA 198.A N SER 196.A OG no hydrogen 3.015 N/A GLU 201.A N ALA 198.A O no hydrogen 3.203 N/A GLU 202.A N PRO 199.A O no hydrogen 3.235 N/A ILE 204.A N THR 162.A O no hydrogen 2.942 N/A MET 205.A N ALA 190.A O no hydrogen 2.876 N/A LEU 206.A N MET 160.A O no hydrogen 2.945 N/A MET 209.A N PRO 157.A O no hydrogen 3.444 N/A SER 210.A N GLU 156.A O no hydrogen 3.275 N/A PHE 212.A N TYR 154.A O no hydrogen 2.754 N/A VAL 213.A N SER 230.A O no hydrogen 3.012 N/A GLU 215.A N VAL 228.A O no hydrogen 2.909 N/A SER 218.A N LEU 226.A O no hydrogen 3.128 N/A LEU 220.A N LYS 224.A O no hydrogen 2.790 N/A SER 221.A OG GLU 222.A OE2 no hydrogen 2.962 N/A LYS 224.A N SER 221.A O no hydrogen 2.715 N/A LYS 224.A NZ VAL 171.A O no hydrogen 2.865 N/A LYS 224.A NZ THR 176.A O no hydrogen 2.888 N/A LYS 224.A NZ ASN 178.A O no hydrogen 3.061 N/A HIS 225.A N ASN 179.A O no hydrogen 3.016 N/A HIS 225.A ND1 TYR 145.A OH no hydrogen 2.741 N/A LEU 226.A N SER 218.A O no hydrogen 2.888 N/A PHE 227.A N ALA 181.A O no hydrogen 2.770 N/A VAL 228.A N HIS 216.A O no hydrogen 2.786 N/A LEU 229.A N GLN 183.A O no hydrogen 2.801 N/A SER 230.A N VAL 213.A O no hydrogen 3.082 N/A SER 230.A OG GLU 215.A OE1 no hydrogen 3.415 N/A GLN 231.A N SER 185.A O no hydrogen 2.978 N/A GLN 231.A NE2 ARG 188.A O no hydrogen 3.146 N/A ILE 232.A N GLU 211.A O no hydrogen 2.901 N/A