Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k3z_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N VAL 266.A O no hydrogen 2.616 N/A THR 4.A N ASN 268.A O no hydrogen 3.159 N/A SER 6.A N ILE 270.A O no hydrogen 2.807 N/A SER 6.A OG GLU 269.A OE1 no hydrogen 2.641 N/A LEU 7.A N ASP 34.A O no hydrogen 3.102 N/A ASN 8.A N LEU 272.A O no hydrogen 3.113 N/A ASN 8.A ND2 GLN 36.A OE1 no hydrogen 2.894 N/A THR 9.A N GLN 36.A O no hydrogen 3.158 N/A THR 9.A OG1 GLN 36.A O no hydrogen 3.505 N/A THR 9.A OG1 THR 38.A OG1 no hydrogen 2.829 N/A ASN 10.A N ASN 8.A OD1 no hydrogen 2.788 N/A LEU 12.A N THR 9.A O no hydrogen 2.846 N/A VAL 13.A N ASN 10.A O no hydrogen 3.322 N/A ARG 15.A NE ASP 283.A OD1 no hydrogen 2.865 N/A ARG 15.A NH1 PRO 11.A O no hydrogen 2.823 N/A ARG 15.A NH2 PHE 276.A O no hydrogen 2.862 N/A ARG 15.A NH2 ASP 283.A OD1 no hydrogen 2.825 N/A PHE 16.A N LEU 12.A O no hydrogen 3.020 N/A LEU 22.A N GLU 18.A O no hydrogen 2.944 N/A ILE 23.A N PRO 19.A O no hydrogen 2.880 N/A GLU 24.A N ASP 20.A O no hydrogen 2.836 N/A THR 25.A N ASP 21.A O no hydrogen 3.196 N/A THR 25.A OG1 ASP 21.A O no hydrogen 2.951 N/A VAL 26.A N LEU 22.A O no hydrogen 3.098 N/A ALA 27.A N ILE 23.A O no hydrogen 3.074 N/A ARG 28.A N GLU 24.A O no hydrogen 2.901 N/A ASP 29.A N THR 25.A O no hydrogen 2.781 N/A LEU 30.A N THR 25.A O no hydrogen 3.228 N/A LEU 30.A N VAL 26.A O no hydrogen 3.112 N/A ARG 31.A NH1 ALA 27.A O no hydrogen 2.868 N/A ARG 31.A NH1 ILE 310.A O no hydrogen 2.822 N/A ARG 33.A N THR 303.A O no hydrogen 3.168 N/A ARG 33.A NE ASP 34.A OD1 no hydrogen 2.912 N/A ARG 33.A NH1 ASP 307.A OD2 no hydrogen 2.786 N/A ARG 33.A NH2 ASP 34.A OD2 no hydrogen 3.080 N/A LEU 35.A N ARG 68.A O no hydrogen 2.873 N/A GLN 36.A N LEU 7.A O no hydrogen 2.983 N/A GLN 36.A NE2 SER 71.A OG no hydrogen 2.941 N/A LEU 37.A N SER 71.A O no hydrogen 2.950 N/A THR 38.A N THR 9.A OG1 no hydrogen 2.870 N/A THR 38.A OG1 THR 9.A OG1 no hydrogen 2.829 N/A THR 38.A OG1 GLU 40.A OE1 no hydrogen 3.056 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 2.703 N/A SER 45.A N ASN 43.A OD1 no hydrogen 2.804 N/A SER 45.A OG ASN 43.A OD1 no hydrogen 3.293 N/A SER 45.A OG TYR 93.A OH no hydrogen 2.811 N/A TRP 46.A N ASN 43.A O no hydrogen 3.005 N/A GLN 47.A N GLN 47.A OE1 no hydrogen 2.941 N/A THR 50.A OG1 GLN 47.A OE1 no hydrogen 2.847 N/A ILE 51.A N GLN 47.A O no hydrogen 3.032 N/A ARG 52.A N ALA 48.A O no hydrogen 3.087 N/A ARG 53.A N SER 49.A O no hydrogen 2.931 N/A LEU 54.A N THR 50.A O no hydrogen 2.934 N/A THR 55.A N ILE 51.A O no hydrogen 2.871 N/A THR 55.A OG1 ILE 51.A O no hydrogen 2.703 N/A ARG 56.A N ARG 52.A O no hydrogen 2.928 N/A ASP 57.A N ARG 53.A O no hydrogen 3.063 N/A MET 58.A N LEU 54.A O no hydrogen 2.881 N/A ASP 59.A N THR 55.A O no hydrogen 2.873 N/A ARG 60.A N ARG 56.A O no hydrogen 2.960 N/A ALA 61.A N ASP 57.A O no hydrogen 3.129 N/A LEU 62.A N MET 58.A O no hydrogen 2.979 N/A GLN 63.A N ASP 59.A O no hydrogen 3.019 N/A ARG 64.A N ARG 60.A O no hydrogen 2.897 N/A ARG 64.A NH2 ASP 20.A OD1 no hydrogen 2.803 N/A ARG 64.A NH2 GLU 24.A OE2 no hydrogen 2.778 N/A THR 65.A N ALA 61.A O no hydrogen 3.071 N/A THR 65.A N LEU 62.A O no hydrogen 3.293 N/A THR 65.A OG1 ALA 61.A O no hydrogen 2.672 N/A THR 65.A OG1 LEU 62.A O no hydrogen 3.351 N/A GLY 66.A N LEU 62.A O no hydrogen 2.900 N/A VAL 67.A N THR 65.A OG1 no hydrogen 3.257 N/A ARG 68.A N ARG 33.A O no hydrogen 2.812 N/A THR 70.A N LEU 35.A O no hydrogen 2.940 N/A THR 70.A OG1 LEU 35.A O no hydrogen 3.330 N/A THR 70.A OG1 GLU 269.A OE1 no hydrogen 3.540 N/A THR 70.A OG1 GLU 269.A OE2 no hydrogen 2.687 N/A GLY 72.A N SER 112.A O no hydrogen 2.902 N/A MET 73.A N LEU 37.A O no hydrogen 2.985 N/A THR 74.A N GLY 114.A O no hydrogen 3.396 N/A THR 74.A OG1 THR 115.A OG1 no hydrogen 2.742 N/A GLY 75.A N HIS 39.A ND1 no hydrogen 3.084 N/A TYR 77.A N GLU 40.A OE2 no hydrogen 3.048 N/A GLY 78.A N GLY 75.A O no hydrogen 3.077 N/A ARG 79.A NE GLU 167.A OE2 no hydrogen 3.067 N/A ARG 79.A NH2 GLU 167.A OE1 no hydrogen 2.870 N/A LEU 80.A N GLY 78.A O no hydrogen 3.143 N/A ASN 81.A ND2 ILE 119.A O no hydrogen 2.820 N/A GLY 84.A N ASN 81.A O no hydrogen 2.995 N/A HIS 85.A N HIS 82.A O no hydrogen 2.966 N/A ASP 87.A N HIS 85.A ND1 no hydrogen 3.123 N/A ASP 89.A N ASP 87.A OD1 no hydrogen 2.974 N/A VAL 90.A N ASP 87.A OD1 no hydrogen 3.180 N/A ARG 91.A N ASP 87.A O no hydrogen 2.958 N/A ARG 91.A NH1 HIS 85.A O no hydrogen 2.821 N/A ARG 92.A N ARG 88.A O no hydrogen 2.913 N/A ARG 92.A NH1 ASP 96.A OD1 no hydrogen 3.272 N/A ARG 92.A NH1 GLU 144.A OE1 no hydrogen 3.260 N/A ARG 92.A NH2 GLU 144.A OE1 no hydrogen 3.461 N/A ARG 92.A NH2 GLU 144.A OE2 no hydrogen 2.821 N/A TYR 93.A N ASP 89.A O no hydrogen 2.946 N/A TYR 93.A OH SER 45.A OG no hydrogen 2.811 N/A TYR 94.A N VAL 90.A O no hydrogen 3.159 N/A VAL 95.A N ARG 91.A O no hydrogen 2.904 N/A ASP 96.A N ARG 92.A O no hydrogen 3.121 N/A TRP 97.A N TYR 93.A O no hydrogen 2.840 N/A TRP 97.A NE1 SER 45.A OG no hydrogen 2.972 N/A PHE 98.A N TYR 94.A O no hydrogen 2.912 N/A LYS 99.A N VAL 95.A O no hydrogen 2.934 N/A LYS 99.A NZ GLU 144.A OE1 no hydrogen 3.086 N/A THR 100.A N ASP 96.A O no hydrogen 3.060 N/A PHE 101.A N TRP 97.A O no hydrogen 2.957 N/A ALA 102.A N PHE 98.A O no hydrogen 2.918 N/A ASP 103.A N LYS 99.A O no hydrogen 3.024 N/A ILE 104.A N THR 100.A O no hydrogen 2.847 N/A ILE 105.A N PHE 101.A O no hydrogen 2.940 N/A GLY 106.A N ALA 102.A O no hydrogen 2.862 N/A ASP 107.A N ASP 103.A O no hydrogen 2.898 N/A LEU 108.A N ILE 104.A O no hydrogen 3.085 N/A GLY 109.A N GLY 106.A O no hydrogen 3.164 N/A GLY 110.A N ILE 105.A O no hydrogen 2.899 N/A LYS 111.A N THR 70.A O no hydrogen 3.023 N/A GLY 114.A N GLY 72.A O no hydrogen 3.119 N/A THR 115.A N PHE 158.A O no hydrogen 3.274 N/A THR 115.A OG1 THR 74.A OG1 no hydrogen 2.742 N/A THR 115.A OG1 GLN 116.A OE1 no hydrogen 3.459 N/A GLN 116.A N THR 115.A OG1 no hydrogen 2.746 N/A ILE 119.A N ASN 81.A O no hydrogen 3.157 N/A PHE 120.A N ARG 166.A O no hydrogen 2.787 N/A THR 121.A OG1 ASP 124.A OD2 no hydrogen 2.733 N/A ASP 124.A N THR 121.A OG1 no hydrogen 2.922 N/A PHE 125.A N THR 121.A O no hydrogen 2.904 N/A ASP 126.A N TYR 122.A O no hydrogen 2.849 N/A ALA 129.A N ASP 127.A OD1 no hydrogen 3.054 N/A ARG 130.A N ASP 127.A OD1 no hydrogen 3.111 N/A ARG 130.A NE ASP 124.A OD1 no hydrogen 2.767 N/A ARG 130.A NH2 ASP 124.A OD1 no hydrogen 3.322 N/A ARG 131.A N ASP 127.A O no hydrogen 2.879 N/A ARG 131.A NE PHE 125.A O no hydrogen 2.860 N/A ARG 131.A NH2 PHE 125.A O no hydrogen 2.943 N/A GLU 132.A N PRO 128.A O no hydrogen 3.121 N/A GLU 133.A N ALA 129.A O no hydrogen 3.062 N/A LEU 134.A N ARG 130.A O no hydrogen 2.865 N/A ILE 135.A N ARG 131.A O no hydrogen 2.867 N/A LYS 136.A N GLU 132.A O no hydrogen 3.076 N/A LYS 136.A NZ GLU 132.A OE2 no hydrogen 2.994 N/A ILE 137.A N GLU 133.A O no hydrogen 3.207 N/A ALA 138.A N LEU 134.A O no hydrogen 2.791 N/A ILE 139.A N ILE 135.A O no hydrogen 2.893 N/A ASP 140.A N LYS 136.A O no hydrogen 3.083 N/A CYS 141.A N ILE 137.A O no hydrogen 3.077 N/A CYS 141.A SG ILE 137.A O no hydrogen 3.585 N/A TRP 142.A N ALA 138.A O no hydrogen 3.046 N/A TRP 142.A NE1 PHE 117.A O no hydrogen 2.820 N/A ALA 143.A N ILE 139.A O no hydrogen 2.910 N/A GLU 144.A N ASP 140.A O no hydrogen 3.166 N/A VAL 145.A N CYS 141.A O no hydrogen 3.113 N/A ALA 146.A N TRP 142.A O no hydrogen 2.826 N/A GLU 147.A N ALA 143.A O no hydrogen 3.087 N/A HIS 148.A N GLU 144.A O no hydrogen 3.227 N/A HIS 148.A NE2 ASP 103.A OD1 no hydrogen 3.074 N/A HIS 148.A NE2 ASP 103.A OD2 no hydrogen 2.867 N/A ALA 149.A N VAL 145.A O no hydrogen 2.813 N/A ALA 150.A N ALA 146.A O no hydrogen 2.952 N/A GLY 151.A N GLU 147.A O no hydrogen 3.445 N/A ALA 152.A N HIS 148.A O no hydrogen 3.074 N/A GLY 153.A N ALA 150.A O no hydrogen 3.170 N/A LEU 154.A N ALA 149.A O no hydrogen 3.047 N/A ASP 155.A N LYS 111.A O no hydrogen 2.687 N/A TYR 156.A N LYS 111.A O no hydrogen 3.273 N/A VAL 157.A N PRO 190.A O no hydrogen 3.077 N/A PHE 158.A N VAL 113.A O no hydrogen 3.067 N/A TRP 159.A N TRP 192.A O no hydrogen 3.088 N/A TRP 159.A NE1 GLN 179.A OE1 no hydrogen 2.936 N/A GLU 160.A N THR 115.A O no hydrogen 2.930 N/A MET 162.A N PHE 168.A O no hydrogen 2.911 N/A ARG 166.A NH1 PHE 120.A O no hydrogen 3.008 N/A GLU 167.A N ILE 164.A O no hydrogen 3.063 N/A PHE 168.A N ILE 164.A O no hydrogen 3.136 N/A PHE 168.A N GLY 165.A O no hydrogen 2.983 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.888 N/A ILE 172.A N ASP 209.A OD1 no hydrogen 2.954 N/A GLU 174.A N THR 171.A OG1 no hydrogen 2.995 N/A CYS 175.A N THR 171.A O no hydrogen 2.932 N/A MET 176.A N ILE 172.A O no hydrogen 2.837 N/A LYS 177.A N ALA 173.A O no hydrogen 2.953 N/A LYS 177.A NZ GLU 174.A OE2 no hydrogen 2.897 N/A LEU 178.A N GLU 174.A O no hydrogen 2.861 N/A GLN 179.A N CYS 175.A O no hydrogen 2.935 N/A GLN 179.A NE2 THR 183.A OG1 no hydrogen 2.984 N/A GLN 179.A NE2 MET 191.A O no hydrogen 2.959 N/A ASP 180.A N MET 176.A O no hydrogen 2.923 N/A ARG 181.A N LYS 177.A O no hydrogen 3.197 N/A ARG 181.A NH1 GLU 132.A OE2 no hydrogen 2.796 N/A ARG 181.A NH2 GLU 132.A OE1 no hydrogen 3.047 N/A ARG 181.A NH2 GLU 132.A OE2 no hydrogen 3.470 N/A LEU 182.A N LEU 178.A O no hydrogen 2.937 N/A THR 183.A N GLN 179.A O no hydrogen 2.875 N/A THR 183.A OG1 GLN 179.A O no hydrogen 3.236 N/A ALA 184.A N ASP 180.A O no hydrogen 3.040 N/A ALA 185.A N ARG 181.A O no hydrogen 3.082 N/A ASN 186.A N THR 183.A O no hydrogen 3.202 N/A TRP 192.A N VAL 157.A O no hydrogen 2.883 N/A MET 193.A N VAL 222.A O no hydrogen 3.101 N/A MET 194.A N TRP 159.A O no hydrogen 2.745 N/A ALA 195.A N SER 223.A OG no hydrogen 2.916 N/A ILE 197.A N HIS 227.A O no hydrogen 3.335 N/A ASP 198.A N ASP 196.A OD1 no hydrogen 2.852 N/A HIS 199.A N ASP 196.A O no hydrogen 2.893 N/A HIS 199.A ND1 PRO 161.A O no hydrogen 2.777 N/A GLY 200.A N SER 163.A OG no hydrogen 3.065 N/A ASP 201.A N GLU 170.A O no hydrogen 2.735 N/A THR 203.A N ASP 201.A OD1 no hydrogen 2.843 N/A THR 203.A OG1 ASP 201.A OD1 no hydrogen 2.749 N/A THR 203.A OG1 ASP 201.A OD2 no hydrogen 3.240 N/A SER 204.A N ASP 201.A O no hydrogen 2.974 N/A SER 204.A OG ASN 206.A O no hydrogen 3.252 N/A SER 204.A OG ASP 209.A OD2 no hydrogen 2.628 N/A ASN 206.A N SER 204.A OG no hydrogen 2.909 N/A ASP 208.A N ASN 206.A OD1 no hydrogen 3.167 N/A ASP 209.A N ASN 206.A O no hydrogen 3.125 N/A TYR 210.A N PRO 207.A O no hydrogen 3.413 N/A ASP 211.A N ASP 208.A O no hydrogen 3.055 N/A TYR 213.A N ASP 211.A OD1 no hydrogen 2.946 N/A TRP 215.A N ASP 211.A O no hydrogen 3.250 N/A TRP 215.A NE1 ASP 209.A O no hydrogen 3.068 N/A ALA 216.A N PRO 212.A O no hydrogen 2.946 N/A ARG 217.A N TYR 213.A O no hydrogen 3.103 N/A ARG 217.A NE GLU 262.A OE1 no hydrogen 3.045 N/A ARG 217.A NH2 GLU 262.A OE1 no hydrogen 3.171 N/A THR 218.A N TRP 215.A O no hydrogen 3.081 N/A THR 218.A OG1 ALA 214.A O no hydrogen 2.567 N/A VAL 219.A N TRP 215.A O no hydrogen 3.058 N/A VAL 222.A N VAL 219.A O no hydrogen 2.824 N/A SER 223.A OG MET 193.A O no hydrogen 3.457 N/A SER 223.A OG ILE 225.A O no hydrogen 2.704 N/A ILE 226.A N GLU 269.A O no hydrogen 2.933 N/A HIS 227.A N ALA 195.A O no hydrogen 2.797 N/A HIS 227.A ND1 GLU 273.A OE1 no hydrogen 2.604 N/A HIS 227.A NE2 GLN 36.A OE1 no hydrogen 2.810 N/A ILE 228.A N CYS 271.A O no hydrogen 2.944 N/A LYS 229.A NZ ASP 196.A OD2 no hydrogen 3.019 N/A LYS 229.A NZ ASP 198.A OD2 no hydrogen 3.215 N/A GLN 230.A N GLU 273.A O no hydrogen 3.096 N/A LEU 232.A N LYS 229.A O no hydrogen 3.153 N/A MET 233.A N GLN 230.A O no hydrogen 3.011 N/A ASP 234.A N ILE 251.A O no hydrogen 2.815 N/A LYS 235.A NZ GLN 230.A O no hydrogen 2.913 N/A LYS 235.A NZ MET 233.A O no hydrogen 2.660 N/A GLY 236.A N ASP 234.A OD1 no hydrogen 2.991 N/A HIS 238.A ND1 ASP 234.A OD1 no hydrogen 2.943 N/A THR 242.A OG1 ARG 239.A O no hydrogen 2.586 N/A ASN 246.A ND2 ASP 211.A OD1 no hydrogen 3.563 N/A ASN 246.A ND2 ASP 211.A OD2 no hydrogen 3.336 N/A ALA 247.A N ALA 244.A O no hydrogen 3.027 N/A LYS 248.A NZ ASP 198.A O no hydrogen 3.029 N/A LYS 248.A NZ ASP 198.A OD1 no hydrogen 2.931 N/A LYS 248.A NZ TYR 210.A O no hydrogen 3.470 N/A GLY 249.A N LEU 232.A O no hydrogen 2.886 N/A ARG 250.A N ALA 247.A O no hydrogen 2.865 N/A ARG 250.A NH1 THR 242.A OG1 no hydrogen 3.175 N/A ILE 251.A N LEU 232.A O no hydrogen 3.139 N/A LEU 256.A N GLN 252.A O no hydrogen 3.203 N/A LEU 257.A N PRO 253.A O no hydrogen 2.894 N/A LYS 258.A N GLU 254.A O no hydrogen 3.136 N/A ALA 259.A N PRO 255.A O no hydrogen 2.951 N/A PHE 260.A N LEU 256.A O no hydrogen 2.922 N/A ALA 261.A N LEU 257.A O no hydrogen 2.911 N/A GLU 262.A N LYS 258.A O no hydrogen 2.841 N/A GLY 263.A N ALA 259.A O no hydrogen 3.019 N/A GLY 264.A N ALA 261.A O no hydrogen 2.965 N/A ALA 265.A N PHE 260.A O no hydrogen 3.030 N/A ASN 268.A ND2 PRO 220.A O no hydrogen 2.972 N/A ASN 268.A ND2 SER 223.A O no hydrogen 2.747 N/A GLU 269.A N PRO 224.A O no hydrogen 2.920 N/A ILE 270.A N THR 4.A O no hydrogen 2.799 N/A CYS 271.A N ILE 226.A O no hydrogen 2.914 N/A CYS 271.A SG GLN 36.A OE1 no hydrogen 3.934 N/A CYS 271.A SG HIS 227.A NE2 no hydrogen 3.490 N/A LEU 272.A N SER 6.A O no hydrogen 2.822 N/A GLU 273.A N ILE 228.A O no hydrogen 2.931 N/A GLU 278.A N GLU 278.A OE1 no hydrogen 2.912 N/A ASP 283.A N ARG 279.A O no hydrogen 2.812 N/A ARG 284.A N PRO 281.A O no hydrogen 3.113 N/A GLU 285.A N ASN 282.A O no hydrogen 3.068 N/A GLN 289.A N GLU 285.A O no hydrogen 2.880 N/A ILE 290.A N VAL 286.A O no hydrogen 3.015 N/A ALA 291.A N ILE 287.A O no hydrogen 2.862 N/A GLU 292.A N PRO 288.A O no hydrogen 2.919 N/A SER 293.A N GLN 289.A O no hydrogen 2.896 N/A SER 293.A OG.A GLN 289.A O no hydrogen 2.626 N/A SER 293.A OG.B ILE 290.A O no hydrogen 2.667 N/A VAL 294.A N ILE 290.A O no hydrogen 2.974 N/A ALA 295.A N ALA 291.A O no hydrogen 3.064 N/A PHE 296.A N GLU 292.A O no hydrogen 2.786 N/A TRP 297.A N SER 293.A O no hydrogen 3.127 N/A TRP 297.A N VAL 294.A O no hydrogen 3.039 N/A TRP 297.A NE1 GLN 230.A OE1 no hydrogen 2.701 N/A ALA 298.A N VAL 294.A O no hydrogen 2.901 N/A HIS 300.A N TRP 297.A O no hydrogen 2.596 N/A ILE 301.A N TRP 297.A O no hydrogen 2.806 N/A GLY 304.A N ASP 302.A OD2 no hydrogen 2.724 N/A ALA 305.A N THR 303.A OG1 no hydrogen 3.303 N/A ASP 307.A N GLY 304.A O no hydrogen 2.919 N/A LEU 308.A N ALA 305.A O no hydrogen 2.920 N/A LYS 309.A N THR 65.A O no hydrogen 2.915 N/A LYS 309.A NZ GLN 63.A O no hydrogen 2.746 N/A