Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4uq2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 2.955 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.904 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.132 N/A MET 5.A N CYS 101.A O no hydrogen 2.854 N/A ARG 6.A N TYR 27.A O no hydrogen 2.939 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.886 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 3.148 N/A ARG 6.A NH2 ASP 102.A OD2 no hydrogen 3.410 N/A TYR 7.A N TYR 99.A O no hydrogen 2.867 N/A PHE 8.A N VAL 25.A O no hydrogen 2.736 N/A TYR 9.A N ILE 97.A O no hydrogen 2.628 N/A THR 10.A N ILE 23.A O no hydrogen 2.949 N/A SER 11.A N ILE 95.A O no hydrogen 2.771 N/A SER 11.A OG ASP 74.A OD2 no hydrogen 3.542 N/A VAL 12.A N ARG 21.A O no hydrogen 2.904 N/A SER 13.A N HIS 93.A O no hydrogen 2.845 N/A SER 13.A OG GLY 91.A O no hydrogen 3.452 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.742 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.304 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 3.355 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 2.590 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.419 N/A ARG 17.A N.A ARG 14.A O no hydrogen 3.067 N/A ARG 17.A N.B ARG 14.A O no hydrogen 3.052 N/A ARG 21.A N VAL 12.A O no hydrogen 2.929 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.081 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.026 N/A PHE 22.A N SER 38.A OG no hydrogen 2.795 N/A ILE 23.A N THR 10.A O no hydrogen 2.862 N/A ALA 24.A N PHE 36.A O no hydrogen 2.826 N/A VAL 25.A N PHE 8.A O no hydrogen 3.023 N/A GLY 26.A N VAL 34.A O no hydrogen 3.149 N/A TYR 27.A N ARG 6.A O no hydrogen 2.721 N/A VAL 28.A N THR 31.A O no hydrogen 3.070 N/A ASP 29.A N SER 4.A O no hydrogen 2.991 N/A THR 31.A N VAL 28.A O no hydrogen 2.979 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.666 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.095 N/A PHE 33.A N GLY 26.A O no hydrogen 2.926 N/A ARG 35.A N GLU 46.A O no hydrogen 3.255 N/A ARG 35.A NH2 GLU 46.A OE1 no hydrogen 2.902 N/A PHE 36.A N ALA 24.A O no hydrogen 2.766 N/A SER 38.A N PHE 22.A O no hydrogen 2.804 N/A SER 38.A OG PHE 22.A O no hydrogen 3.564 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.742 N/A ALA 40.A N ASP 37.A O no hydrogen 2.800 N/A SER 42.A OG GLU 46.A OE2 no hydrogen 2.919 N/A GLN 43.A NE2 SER 38.A O no hydrogen 3.069 N/A GLN 43.A NE2 ALA 40.A O no hydrogen 2.915 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 3.458 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 3.336 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.760 N/A GLU 46.A N ARG 35.A O no hydrogen 2.943 N/A ARG 48.A N PHE 33.A O no hydrogen 2.608 N/A ILE 52.A N ALA 49.A O no hydrogen 3.359 N/A GLU 53.A N PRO 50.A O no hydrogen 3.046 N/A GLN 54.A NE2 TRP 51.A O no hydrogen 3.605 N/A GLU 55.A N ILE 52.A O no hydrogen 3.137 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.681 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.701 N/A ASP 61.A N PRO 57.A O no hydrogen 2.961 N/A GLN 62.A N GLU 58.A O no hydrogen 2.967 N/A GLN 62.A NE2 ASN 66.A OD1 no hydrogen 3.633 N/A GLU 63.A N TYR 59.A O no hydrogen 2.818 N/A THR 64.A N TRP 60.A O no hydrogen 3.058 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.755 N/A ARG 65.A N ASP 61.A O no hydrogen 2.897 N/A ASN 66.A N GLN 62.A O no hydrogen 2.877 N/A VAL 67.A N GLU 63.A O no hydrogen 2.874 N/A LYS 68.A N THR 64.A O no hydrogen 3.053 N/A LYS 68.A NZ GLN 43.A O no hydrogen 2.982 N/A ALA 69.A N ARG 65.A O no hydrogen 3.149 N/A GLN 70.A N ASN 66.A O no hydrogen 3.113 N/A GLN 70.A NE2 GLN 70.A O no hydrogen 3.572 N/A GLN 70.A NE2 ASP 74.A OD1 no hydrogen 2.606 N/A SER 71.A N VAL 67.A O no hydrogen 3.040 N/A SER 71.A OG LYS 68.A O no hydrogen 2.932 N/A GLN 72.A N LYS 68.A O no hydrogen 3.115 N/A THR 73.A N ALA 69.A O no hydrogen 3.195 N/A ASP 74.A N GLN 70.A O no hydrogen 2.887 N/A ARG 75.A N SER 71.A O no hydrogen 2.817 N/A VAL 76.A N GLN 72.A O no hydrogen 3.080 N/A ASP 77.A N THR 73.A O no hydrogen 3.007 N/A LEU 78.A N ASP 74.A O no hydrogen 3.233 N/A GLY 79.A N VAL 76.A O no hydrogen 3.052 N/A THR 80.A N VAL 76.A O no hydrogen 3.360 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.355 N/A LEU 81.A N ASP 77.A O no hydrogen 2.883 N/A ARG 82.A N LEU 78.A O no hydrogen 3.002 N/A GLY 83.A N GLY 79.A O no hydrogen 3.215 N/A TYR 84.A N THR 80.A O no hydrogen 2.861 N/A TYR 85.A N LEU 81.A O no hydrogen 2.931 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.091 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.700 N/A ASN 86.A N GLY 83.A O no hydrogen 3.070 N/A GLN 87.A N ARG 82.A O no hydrogen 2.903 N/A ASP 90.A N SER 88.A OG no hydrogen 3.247 N/A GLY 91.A N SER 88.A O no hydrogen 3.229 N/A SER 92.A OG SER 13.A O no hydrogen 2.561 N/A HIS 93.A N SER 13.A OG no hydrogen 2.782 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.811 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.981 N/A ILE 95.A N SER 11.A O no hydrogen 2.848 N/A GLN 96.A N ALA 117.A O no hydrogen 3.009 N/A ILE 97.A N TYR 9.A O no hydrogen 2.804 N/A MET 98.A N GLN 115.A O no hydrogen 2.915 N/A TYR 99.A N TYR 7.A O no hydrogen 3.157 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.457 N/A GLY 100.A N TYR 113.A O no hydrogen 3.051 N/A CYS 101.A N MET 5.A O no hydrogen 3.062 N/A ASP 102.A N ARG 111.A O no hydrogen 2.836 N/A VAL 103.A N HIS 3.A O no hydrogen 2.842 N/A GLY 104.A N ARG 108.A O no hydrogen 2.940 N/A GLY 107.A N GLY 104.A O no hydrogen 2.974 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.104 N/A LEU 110.A N ASP 102.A O no hydrogen 2.907 N/A ARG 111.A NE ASP 102.A OD2 no hydrogen 3.255 N/A ARG 111.A NE TYR 113.A OH no hydrogen 2.838 N/A ARG 111.A NH2 ASP 102.A OD2 no hydrogen 2.994 N/A TYR 113.A N GLY 100.A O no hydrogen 2.922 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.699 N/A ARG 114.A NE ASP 116.A OD1 no hydrogen 2.678 N/A ARG 114.A NH2 ASP 116.A OD1 no hydrogen 3.395 N/A ARG 114.A NH2 ASP 116.A OD2 no hydrogen 2.911 N/A GLN 115.A N MET 98.A O no hydrogen 2.906 N/A ASP 116.A N ILE 124.A O no hydrogen 2.789 N/A ALA 117.A N GLN 96.A O no hydrogen 2.784 N/A TYR 118.A N LYS 121.A O no hydrogen 2.977 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.520 N/A ASP 119.A N THR 94.A O no hydrogen 2.817 N/A LYS 121.A N TYR 118.A O no hydrogen 3.000 N/A TYR 123.A N ASP 116.A O no hydrogen 2.928 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.636 N/A ILE 124.A N ASP 116.A O no hydrogen 3.299 N/A ALA 125.A N THR 134.A O no hydrogen 3.035 N/A LEU 126.A N ARG 114.A O no hydrogen 2.748 N/A ASN 127.A N SER 132.A O no hydrogen 2.908 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.945 N/A LEU 130.A N ASN 127.A O no hydrogen 2.827 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.703 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.321 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.341 N/A THR 134.A N ALA 125.A O no hydrogen 3.023 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.603 N/A ALA 136.A N TYR 123.A O no hydrogen 2.899 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.980 N/A GLN 141.A N ASP 137.A O no hydrogen 3.192 N/A GLN 141.A N MET 138.A O no hydrogen 3.000 N/A ILE 142.A N MET 138.A O no hydrogen 3.394 N/A ILE 142.A N ALA 139.A O no hydrogen 3.014 N/A THR 143.A N ALA 139.A O no hydrogen 3.487 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.636 N/A LYS 144.A N ALA 140.A O no hydrogen 2.823 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.089 N/A ARG 145.A N GLN 141.A O no hydrogen 3.087 N/A LYS 146.A N ILE 142.A O no hydrogen 3.264 N/A TRP 147.A N THR 143.A O no hydrogen 2.914 N/A GLU 148.A N LYS 144.A O no hydrogen 2.932 N/A ALA 149.A N ARG 145.A O no hydrogen 3.037 N/A ALA 150.A N LYS 146.A O no hydrogen 2.822 N/A HIS 151.A N GLU 148.A O no hydrogen 2.991 N/A HIS 151.A ND1 ALA 149.A O no hydrogen 3.340 N/A ALA 152.A N TRP 147.A O no hydrogen 2.897 N/A GLN 155.A N ALA 152.A O no hydrogen 2.933 N/A GLN 156.A N ALA 152.A O no hydrogen 3.184 N/A ARG 157.A N ALA 153.A O no hydrogen 2.791 N/A ARG 157.A NH1 LEU 130.A O no hydrogen 2.890 N/A ALA 158.A N GLU 154.A O no hydrogen 3.103 N/A TYR 159.A N GLN 155.A O no hydrogen 3.256 N/A LEU 160.A N GLN 156.A O no hydrogen 2.837 N/A GLU 161.A N ARG 157.A O no hydrogen 3.018 N/A GLY 162.A N TYR 159.A O no hydrogen 3.252 N/A CYS 164.A N TYR 159.A O no hydrogen 2.786 N/A GLU 166.A N GLY 162.A O no hydrogen 2.929 N/A TRP 167.A N ARG 163.A O no hydrogen 2.893 N/A LEU 168.A N CYS 164.A O no hydrogen 2.990 N/A ARG 169.A N VAL 165.A O no hydrogen 3.026 N/A ARG 169.A NE GLY 107.A O no hydrogen 2.988 N/A ARG 169.A NH2 GLY 107.A O no hydrogen 2.868 N/A ARG 170.A N GLU 166.A O no hydrogen 3.184 N/A TYR 171.A N TRP 167.A O no hydrogen 2.867 N/A LEU 172.A N LEU 168.A O no hydrogen 2.992 N/A GLU 173.A N ARG 169.A O no hydrogen 3.142 N/A ASN 174.A N ARG 170.A O no hydrogen 2.953 N/A GLY 175.A N TYR 171.A O no hydrogen 2.937 N/A LYS 176.A N GLU 173.A O no hydrogen 2.822 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 3.067 N/A THR 178.A N GLY 175.A O no hydrogen 3.138 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.344 N/A LEU 179.A N GLY 175.A O no hydrogen 2.826 N/A GLN 180.A N LYS 176.A O no hydrogen 3.188 N/A ARG 181.A NE THR 178.A O no hydrogen 2.853 N/A ARG 181.A NH1 ASP 183.A OD2 no hydrogen 2.465 N/A ASP 183.A N TYR 209.A O no hydrogen 2.793 N/A LYS 186.A N LEU 206.A O no hydrogen 2.769 N/A THR 190.A N ARG 202.A O no hydrogen 2.971 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.549 N/A HIS 191.A NE2 GLU 254.A OE2 no hydrogen 3.264 N/A HIS 192.A N THR 200.A O no hydrogen 3.082 N/A ILE 194.A N GLU 198.A O no hydrogen 2.794 N/A SER 195.A N GLU 198.A O no hydrogen 3.230 N/A HIS 197.A N SER 195.A OG no hydrogen 3.007 N/A ALA 199.A N VAL 249.A O no hydrogen 2.994 N/A THR 200.A N HIS 192.A O no hydrogen 3.030 N/A LEU 201.A N VAL 247.A O no hydrogen 2.918 N/A ARG 202.A N THR 190.A O no hydrogen 3.301 N/A CYS 203.A N ALA 245.A O no hydrogen 2.881 N/A TRP 204.A N HIS 188.A O no hydrogen 2.892 N/A ALA 205.A N LYS 243.A O no hydrogen 2.957 N/A LEU 206.A N LYS 186.A O no hydrogen 2.876 N/A PHE 208.A N PHE 241.A O no hydrogen 3.374 N/A TYR 209.A N ASP 183.A O no hydrogen 2.992 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.666 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.821 N/A THR 214.A N GLN 262.A O no hydrogen 3.005 N/A THR 216.A N HIS 260.A O no hydrogen 2.876 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 3.113 N/A GLN 218.A N THR 258.A O no hydrogen 2.842 N/A GLN 218.A NE2 ASP 223.A OD1 no hydrogen 3.061 N/A ARG 219.A N GLU 222.A O no hydrogen 3.065 N/A ARG 219.A NE GLU 253.A OE1 no hydrogen 3.236 N/A ARG 219.A NH2 GLU 253.A OE1 no hydrogen 2.568 N/A ASP 220.A N ARG 256.A O no hydrogen 2.991 N/A GLU 222.A N ARG 219.A O no hydrogen 2.710 N/A GLN 224.A N TRP 217.A O no hydrogen 3.129 N/A GLN 226.A N.A GLN 224.A O no hydrogen 2.474 N/A GLN 226.A N.B GLN 224.A O no hydrogen 2.492 N/A ASP 227.A N GLN 224.A O no hydrogen 3.420 N/A GLU 229.A N ALA 246.A O no hydrogen 2.911 N/A VAL 231.A N TRP 244.A O no hydrogen 3.330 N/A ARG 234.A N GLN 242.A O no hydrogen 2.920 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.955 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 2.975 N/A ALA 236.A N THR 240.A O no hydrogen 2.801 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.039 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.750 N/A PHE 241.A N PHE 208.A O no hydrogen 2.978 N/A GLN 242.A N ARG 234.A O no hydrogen 2.877 N/A LYS 243.A N ALA 205.A O no hydrogen 3.071 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.805 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.284 N/A ALA 245.A N CYS 203.A O no hydrogen 3.003 N/A ALA 246.A N GLU 229.A O no hydrogen 2.898 N/A VAL 247.A N LEU 201.A O no hydrogen 3.068 N/A VAL 249.A N ALA 199.A O no hydrogen 2.682 N/A SER 251.A OG ASP 196.A O no hydrogen 3.451 N/A GLY 252.A N GLU 254.A OE2 no hydrogen 3.327 N/A GLU 253.A N PRO 250.A O no hydrogen 2.760 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.766 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 2.772 N/A ARG 256.A N GLU 253.A O no hydrogen 3.136 N/A TYR 257.A N GLU 254.A O no hydrogen 3.159 N/A THR 258.A N GLN 218.A O no hydrogen 2.933 N/A THR 258.A OG1 GLN 218.A O no hydrogen 3.472 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.924 N/A CYS 259.A N LEU 272.A O no hydrogen 2.782 N/A CYS 259.A SG THR 216.A O no hydrogen 4.041 N/A HIS 260.A N THR 216.A O no hydrogen 2.624 N/A HIS 260.A NE2 THR 258.A OG1 no hydrogen 2.924 N/A VAL 261.A N LEU 270.A O no hydrogen 3.034 N/A GLN 262.A N THR 214.A O no hydrogen 2.861 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.821 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.023 N/A LEU 266.A N HIS 263.A O no hydrogen 2.969 N/A LEU 270.A N VAL 261.A O no hydrogen 3.073 N/A LEU 272.A N CYS 259.A O no hydrogen 2.817 N/A