Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pxq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ASN 7.A OD1 no hydrogen 3.088 N/A ASN 7.A N PHE 4.A O no hydrogen 2.693 N/A PHE 8.A N MET 5.A O no hydrogen 2.985 N/A GLN 9.A N ARG 26.A O no hydrogen 2.886 N/A VAL 11.A N LYS 24.A O no hydrogen 2.744 N/A GLU 12.A N LYS 24.A O no hydrogen 3.415 N/A ILE 14.A N VAL 22.A O no hydrogen 2.862 N/A GLY 15.A N VAL 22.A O no hydrogen 3.333 N/A THR 18.A N ASP 145.A OD2 no hydrogen 3.038 N/A THR 18.A OG1 ASP 145.A OD1 no hydrogen 3.490 N/A THR 18.A OG1 ASP 145.A OD2 no hydrogen 2.585 N/A VAL 22.A N GLY 15.A O no hydrogen 3.101 N/A TYR 23.A N LEU 36.A O no hydrogen 2.839 N/A LYS 24.A N GLU 12.A O no hydrogen 2.651 N/A ALA 25.A N VAL 34.A O no hydrogen 3.013 N/A ARG 26.A N GLN 9.A O no hydrogen 2.787 N/A ASN 27.A N GLU 32.A O no hydrogen 2.935 N/A LYS 28.A N ASN 7.A O no hydrogen 2.817 N/A LYS 28.A NZ GLU 6.A O no hydrogen 2.969 N/A LEU 29.A N ASN 27.A OD1 no hydrogen 2.823 N/A THR 30.A N ASN 27.A OD1 no hydrogen 3.066 N/A GLY 31.A N ASN 27.A O no hydrogen 2.666 N/A VAL 34.A N ALA 25.A O no hydrogen 2.906 N/A ALA 35.A N PHE 80.A O no hydrogen 2.855 N/A LEU 36.A N TYR 23.A O no hydrogen 2.914 N/A LYS 37.A N LEU 78.A O no hydrogen 2.919 N/A LYS 38.A N VAL 21.A O no hydrogen 3.100 N/A ILE 39.A N LEU 76.A O no hydrogen 2.762 N/A ILE 49.A N PRO 45.A O no hydrogen 3.080 N/A ARG 50.A N SER 46.A O no hydrogen 3.265 N/A GLU 51.A N THR 47.A O no hydrogen 3.162 N/A ILE 52.A N ALA 48.A O no hydrogen 2.990 N/A SER 53.A N ILE 49.A O no hydrogen 2.852 N/A SER 53.A OG ILE 49.A O no hydrogen 2.806 N/A LEU 54.A N ARG 50.A O no hydrogen 2.978 N/A LEU 55.A N GLU 51.A O no hydrogen 2.999 N/A LYS 56.A N ILE 52.A O no hydrogen 2.901 N/A GLU 57.A N SER 53.A O no hydrogen 3.093 N/A GLU 57.A N LEU 54.A O no hydrogen 3.218 N/A LEU 58.A N LEU 55.A O no hydrogen 3.102 N/A ASN 62.A N HIS 60.A ND1 no hydrogen 2.862 N/A ASN 62.A ND2 GLN 110.A OE1 no hydrogen 3.024 N/A ASN 62.A ND2 ILE 141.A O no hydrogen 2.989 N/A ILE 63.A N HIS 60.A O no hydrogen 3.093 N/A VAL 64.A N LEU 143.A O no hydrogen 3.003 N/A LYS 65.A N GLU 81.A OE2 no hydrogen 2.888 N/A LEU 67.A N VAL 79.A O no hydrogen 2.661 N/A ASP 68.A N VAL 79.A O no hydrogen 3.278 N/A VAL 69.A N ASP 68.A OD1 no hydrogen 2.766 N/A ILE 70.A N TYR 77.A O no hydrogen 2.937 N/A THR 72.A N LYS 75.A O no hydrogen 2.948 N/A LYS 75.A N THR 72.A O no hydrogen 2.749 N/A LEU 76.A N ILE 39.A O no hydrogen 2.946 N/A TYR 77.A N ILE 70.A O no hydrogen 2.841 N/A LEU 78.A N LYS 37.A O no hydrogen 2.803 N/A VAL 79.A N ASP 68.A O no hydrogen 2.870 N/A PHE 80.A N ALA 35.A O no hydrogen 2.680 N/A GLU 81.A N LYS 65.A O no hydrogen 3.048 N/A LEU 87.A N LEU 133.A O no hydrogen 2.838 N/A LYS 88.A N PRO 130.A O no hydrogen 3.226 N/A LYS 88.A NZ ASP 92.A OD1 no hydrogen 2.845 N/A LYS 89.A N ASP 86.A OD1 no hydrogen 2.636 N/A LYS 89.A NZ HIS 84.A O no hydrogen 2.856 N/A PHE 90.A N ASP 86.A O no hydrogen 2.868 N/A MET 91.A N LEU 87.A O no hydrogen 2.747 N/A ASP 92.A N LYS 88.A O no hydrogen 2.988 N/A ALA 93.A N LYS 89.A O no hydrogen 2.961 N/A SER 94.A N PHE 90.A O no hydrogen 2.910 N/A SER 94.A N MET 91.A O no hydrogen 3.173 N/A SER 94.A OG PHE 90.A O no hydrogen 2.977 N/A ALA 95.A N ASP 92.A O no hydrogen 3.076 N/A GLY 98.A N SER 94.A O no hydrogen 2.400 N/A LEU 103.A N PRO 100.A O no hydrogen 2.875 N/A ILE 104.A N PRO 100.A O no hydrogen 3.082 N/A LYS 105.A N LEU 101.A O no hydrogen 2.881 N/A LYS 105.A NZ PHE 285.A O no hydrogen 2.917 N/A LYS 105.A NZ ASP 288.A OD1 no hydrogen 2.783 N/A SER 106.A N PRO 102.A O no hydrogen 2.944 N/A SER 106.A OG THR 290.A O no hydrogen 3.354 N/A TYR 107.A N LEU 103.A O no hydrogen 2.880 N/A LEU 108.A N ILE 104.A O no hydrogen 2.936 N/A PHE 109.A N LYS 105.A O no hydrogen 2.898 N/A GLN 110.A N SER 106.A O no hydrogen 2.897 N/A GLN 110.A NE2 SER 106.A O no hydrogen 3.494 N/A GLN 110.A NE2 SER 106.A OG no hydrogen 2.970 N/A GLN 110.A NE2 GLY 139.A O no hydrogen 2.912 N/A LEU 111.A N TYR 107.A O no hydrogen 2.895 N/A LEU 112.A N LEU 108.A O no hydrogen 2.915 N/A GLN 113.A N PHE 109.A O no hydrogen 2.934 N/A GLY 114.A N GLN 110.A O no hydrogen 2.895 N/A LEU 115.A N LEU 111.A O no hydrogen 2.833 N/A ALA 116.A N LEU 112.A O no hydrogen 2.784 N/A PHE 117.A N GLN 113.A O no hydrogen 3.046 N/A CYS 118.A N GLY 114.A O no hydrogen 2.990 N/A CYS 118.A SG GLY 114.A O no hydrogen 3.369 N/A HIS 119.A N LEU 115.A O no hydrogen 2.820 N/A HIS 119.A NE2 ASP 185.A OD2 no hydrogen 2.878 N/A SER 120.A N ALA 116.A O no hydrogen 2.984 N/A SER 120.A OG ALA 116.A O no hydrogen 3.254 N/A SER 120.A OG PHE 117.A O no hydrogen 2.890 N/A SER 120.A OG HIS 121.A ND1 no hydrogen 2.985 N/A HIS 121.A N PHE 117.A O no hydrogen 3.194 N/A HIS 121.A N CYS 118.A O no hydrogen 2.916 N/A HIS 121.A ND1 PHE 117.A O no hydrogen 2.844 N/A HIS 121.A ND1 SER 120.A OG no hydrogen 2.985 N/A ARG 122.A N HIS 119.A O no hydrogen 3.207 N/A VAL 123.A N CYS 118.A O no hydrogen 2.818 N/A HIS 125.A N ASP 185.A OD2 no hydrogen 2.750 N/A ARG 126.A N ASP 185.A OD1 no hydrogen 2.821 N/A ARG 126.A NE TYR 180.A OH no hydrogen 2.784 N/A LYS 129.A NZ ASP 127.A O no hydrogen 2.986 N/A LYS 129.A NZ ASP 127.A OD2 no hydrogen 2.610 N/A LYS 129.A NZ ASN 132.A OD1 no hydrogen 2.432 N/A LYS 129.A NZ ASP 145.A OD1 no hydrogen 2.902 N/A ASN 132.A N LYS 129.A O no hydrogen 3.080 N/A LEU 133.A N PRO 130.A O no hydrogen 3.322 N/A LEU 134.A N LYS 142.A O no hydrogen 2.939 N/A ILE 135.A N GLN 85.A O no hydrogen 2.964 N/A ASN 136.A N ALA 140.A O no hydrogen 3.193 N/A GLY 139.A N ASN 136.A O no hydrogen 3.334 N/A ALA 140.A N ASN 136.A OD1 no hydrogen 2.894 N/A ILE 141.A N GLN 110.A OE1 no hydrogen 3.216 N/A LYS 142.A N LEU 134.A O no hydrogen 2.642 N/A LYS 142.A NZ GLU 81.A OE1 no hydrogen 3.144 N/A LYS 142.A NZ GLU 81.A OE2 no hydrogen 2.776 N/A LEU 143.A N ASN 62.A O no hydrogen 2.906 N/A GLY 147.A N HIS 125.A O no hydrogen 2.758 N/A ARG 157.A N THR 18.A O no hydrogen 3.260 N/A TYR 159.A OH GLN 131.A OE1 no hydrogen 3.274 N/A THR 160.A OG1 THR 158.A O no hydrogen 2.670 N/A THR 165.A OG1 ASP 127.A OD1 no hydrogen 2.537 N/A TRP 167.A N VAL 164.A O no hydrogen 3.048 N/A TRP 167.A NE1 GLY 205.A O no hydrogen 2.974 N/A TYR 168.A OH GLU 195.A OE1 no hydrogen 2.632 N/A ARG 169.A N LEU 166.A O no hydrogen 3.142 N/A ARG 169.A NH2 THR 165.A OG1 no hydrogen 3.315 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.681 N/A ILE 173.A N ALA 170.A O no hydrogen 3.101 N/A LEU 174.A N ALA 170.A O no hydrogen 3.283 N/A LEU 175.A N PRO 171.A O no hydrogen 2.844 N/A GLY 176.A N ILE 173.A O no hydrogen 3.013 N/A CYS 177.A N GLU 172.A O no hydrogen 2.903 N/A CYS 177.A SG TYR 179.A O no hydrogen 2.861 N/A LYS 178.A NZ TYR 179.A OH no hydrogen 3.170 N/A ALA 183.A N SER 181.A OG no hydrogen 3.107 N/A VAL 184.A N SER 181.A O no hydrogen 3.086 N/A ASP 185.A N THR 182.A O no hydrogen 3.058 N/A TRP 187.A N ALA 183.A O no hydrogen 3.116 N/A SER 188.A N VAL 184.A O no hydrogen 3.273 N/A SER 188.A OG TYR 168.A O no hydrogen 2.648 N/A SER 188.A OG VAL 184.A O no hydrogen 3.170 N/A LEU 189.A N ASP 185.A O no hydrogen 2.941 N/A GLY 190.A N ILE 186.A O no hydrogen 2.805 N/A CYS 191.A N TRP 187.A O no hydrogen 3.007 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.546 N/A ILE 192.A N SER 188.A O no hydrogen 2.967 N/A PHE 193.A N LEU 189.A O no hydrogen 2.831 N/A ALA 194.A N GLY 190.A O no hydrogen 3.053 N/A GLU 195.A N CYS 191.A O no hydrogen 3.030 N/A MET 196.A N ILE 192.A O no hydrogen 2.890 N/A VAL 197.A N PHE 193.A O no hydrogen 3.188 N/A THR 198.A N ALA 194.A O no hydrogen 2.839 N/A THR 198.A OG1 ALA 194.A O no hydrogen 2.954 N/A ARG 199.A N GLU 195.A O no hydrogen 2.723 N/A ARG 199.A NE ALA 95.A O no hydrogen 3.250 N/A ARG 199.A NH2 ALA 95.A O no hydrogen 2.906 N/A ARG 200.A N THR 198.A OG1 no hydrogen 3.374 N/A GLY 205.A N PHE 203.A O no hydrogen 3.050 N/A GLY 205.A N GLN 211.A OE1 no hydrogen 2.998 N/A ASP 206.A N ASP 210.A OD2 no hydrogen 2.935 N/A SER 207.A OG ASP 206.A OD1 no hydrogen 3.562 N/A ASP 210.A N SER 207.A OG no hydrogen 3.032 N/A GLN 211.A N SER 207.A O no hydrogen 2.814 N/A GLN 211.A NE2 PHE 203.A O no hydrogen 2.885 N/A LEU 212.A N GLU 208.A O no hydrogen 3.015 N/A PHE 213.A N ILE 209.A O no hydrogen 2.923 N/A ARG 214.A N ASP 210.A O no hydrogen 2.898 N/A ARG 214.A NE ASP 210.A OD2 no hydrogen 2.842 N/A ILE 215.A N GLN 211.A O no hydrogen 3.004 N/A PHE 216.A N LEU 212.A O no hydrogen 2.826 N/A ARG 217.A N PHE 213.A O no hydrogen 2.899 N/A THR 218.A N ILE 215.A O no hydrogen 3.095 N/A THR 218.A OG1 ARG 214.A O no hydrogen 3.101 N/A LEU 219.A N ILE 215.A O no hydrogen 2.869 N/A GLY 220.A N PHE 216.A O no hydrogen 2.696 N/A THR 221.A N TRP 243.A O no hydrogen 2.918 N/A THR 221.A OG1 PRO 241.A O no hydrogen 2.710 N/A VAL 226.A N ASP 223.A OD1 no hydrogen 3.020 N/A TRP 227.A N ASP 223.A O no hydrogen 2.837 N/A GLY 229.A N GLU 224.A OE1 no hydrogen 2.727 N/A VAL 230.A N TRP 227.A O no hydrogen 2.964 N/A THR 231.A N GLU 224.A OE2 no hydrogen 2.997 N/A THR 231.A OG1 GLU 224.A OE2 no hydrogen 2.607 N/A SER 232.A N GLY 229.A O no hydrogen 3.013 N/A MET 233.A N VAL 230.A O no hydrogen 3.126 N/A ASP 235.A N LEU 175.A O no hydrogen 2.834 N/A TYR 236.A N MET 233.A O no hydrogen 2.990 N/A PHE 240.A N LYS 237.A O no hydrogen 2.853 N/A LYS 242.A NZ TRP 243.A O no hydrogen 2.719 N/A TRP 243.A N THR 221.A OG1 no hydrogen 2.848 N/A GLN 246.A N THR 218.A O no hydrogen 2.778 N/A GLN 246.A NE2 ALA 244.A O no hydrogen 2.934 N/A LYS 250.A N ASP 247.A O no hydrogen 2.890 N/A VAL 251.A N ASP 247.A O no hydrogen 2.983 N/A VAL 252.A N PHE 248.A O no hydrogen 2.767 N/A LEU 255.A N VAL 252.A O no hydrogen 3.223 N/A GLY 259.A N ASP 256.A OD1 no hydrogen 3.160 N/A ARG 260.A N ASP 256.A O no hydrogen 2.803 N/A SER 261.A N GLU 257.A O no hydrogen 2.827 N/A SER 261.A OG HIS 283.A NE2 no hydrogen 2.871 N/A LEU 262.A N ASP 258.A O no hydrogen 3.141 N/A LEU 263.A N GLY 259.A O no hydrogen 2.869 N/A SER 264.A N ARG 260.A O no hydrogen 2.825 N/A SER 264.A OG ARG 260.A O no hydrogen 3.054 N/A SER 264.A OG SER 261.A O no hydrogen 2.651 N/A GLN 265.A N SER 261.A O no hydrogen 3.139 N/A GLN 265.A NE2 SER 261.A O no hydrogen 3.197 N/A MET 266.A N LEU 262.A O no hydrogen 3.030 N/A LEU 267.A N LEU 263.A O no hydrogen 2.908 N/A TYR 269.A OH GLY 220.A O no hydrogen 2.598 N/A ASN 272.A N ASP 270.A OD1 no hydrogen 2.804 N/A LYS 273.A N ASP 270.A O no hydrogen 2.779 N/A LYS 273.A NZ VAL 226.A O no hydrogen 2.988 N/A LYS 273.A NZ ASP 270.A OD2 no hydrogen 2.638 N/A ARG 274.A N ASP 270.A O no hydrogen 2.948 N/A ARG 274.A NE HIS 268.A O no hydrogen 2.843 N/A ARG 274.A NH1 GLU 172.A OE1 no hydrogen 3.460 N/A ARG 274.A NH1 GLU 172.A OE2 no hydrogen 2.748 N/A ARG 274.A NH1 ALA 183.A O no hydrogen 2.938 N/A ARG 274.A NH2 GLU 172.A OE1 no hydrogen 2.863 N/A ARG 274.A NH2 GLU 172.A OE2 no hydrogen 3.528 N/A ARG 274.A NH2 HIS 268.A O no hydrogen 3.145 N/A ARG 274.A NH2 TYR 269.A O no hydrogen 2.894 N/A ILE 275.A N GLN 265.A O no hydrogen 2.971 N/A ALA 279.A N SER 276.A OG no hydrogen 2.956 N/A ALA 280.A N SER 276.A O no hydrogen 2.941 N/A LEU 281.A N ALA 277.A O no hydrogen 3.169 N/A ALA 282.A N ALA 279.A O no hydrogen 3.153 N/A HIS 283.A N ALA 280.A O no hydrogen 2.990 N/A HIS 283.A NE2 SER 261.A OG no hydrogen 2.871 N/A PHE 285.A N HIS 283.A ND1 no hydrogen 2.894 N/A PHE 286.A N HIS 283.A O no hydrogen 2.942 N/A GLN 287.A N PRO 284.A O no hydrogen 3.027 N/A VAL 289.A N PHE 286.A O no hydrogen 3.206 N/A