Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5khx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 THR 69.A OG1 no hydrogen 3.280 N/A PHE 4.A N ILE 67.A O no hydrogen 3.059 N/A GLU 5.A N TYR 23.A OH no hydrogen 3.465 N/A LYS 6.A NZ GLU 70.A OE2 no hydrogen 2.906 N/A ARG 7.A NE GLU 5.A OE1 no hydrogen 3.423 N/A ARG 7.A NH2 GLU 5.A OE1 no hydrogen 3.336 N/A PHE 8.A N GLU 5.A O no hydrogen 3.070 N/A LEU 9.A N LYS 6.A O no hydrogen 3.139 N/A LYS 10.A N ARG 22.A O no hydrogen 3.105 N/A LYS 10.A NZ ARG 7.A O no hydrogen 3.092 N/A ARG 11.A NE GLU 19.A OE2 no hydrogen 2.809 N/A ARG 11.A NH2 ASP 14.A OD1 no hydrogen 3.007 N/A ILE 12.A N LEU 20.A O no hydrogen 2.884 N/A LEU 15.A N VAL 18.A O no hydrogen 2.670 N/A GLY 16.A N VAL 18.A O no hydrogen 3.282 N/A LYS 17.A N SER 38.A O no hydrogen 2.954 N/A LYS 17.A NZ GLU 19.A OE2 no hydrogen 2.810 N/A VAL 18.A N GLY 16.A O no hydrogen 3.015 N/A GLU 19.A N VAL 36.A O no hydrogen 2.756 N/A LEU 20.A N ARG 13.A O no hydrogen 2.792 N/A CYS 21.A N VAL 34.A O no hydrogen 2.848 N/A ARG 22.A N LYS 10.A O no hydrogen 3.008 N/A ARG 22.A NH1 GLY 31.A O no hydrogen 2.774 N/A TYR 23.A N GLU 32.A O no hydrogen 2.854 N/A ASP 24.A N PHE 8.A O no hydrogen 3.094 N/A GLY 27.A N ASP 24.A O no hydrogen 3.119 N/A ASN 29.A N ASP 24.A OD2 no hydrogen 2.873 N/A THR 30.A N ASP 28.A OD1 no hydrogen 3.481 N/A THR 30.A OG1 ASP 28.A OD1 no hydrogen 2.659 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 3.329 N/A GLY 31.A N ASP 24.A OD1 no hydrogen 2.881 N/A VAL 34.A N CYS 21.A O no hydrogen 2.746 N/A ALA 35.A N MET 80.A O no hydrogen 2.942 N/A VAL 36.A N GLU 19.A O no hydrogen 2.761 N/A LYS 37.A N LEU 78.A O no hydrogen 2.801 N/A LYS 37.A NZ GLU 49.A OE1 no hydrogen 2.991 N/A LYS 37.A NZ GLU 49.A OE2 no hydrogen 2.778 N/A LYS 37.A NZ ASP 145.A OD1 no hydrogen 3.224 N/A LYS 37.A NZ ASP 145.A OD2 no hydrogen 2.768 N/A SER 38.A N LYS 17.A O no hydrogen 3.037 N/A LEU 46.A N HIS 42.A O no hydrogen 3.433 N/A LYS 47.A N ILE 43.A O no hydrogen 2.928 N/A LYS 48.A N ALA 44.A O no hydrogen 3.115 N/A GLU 49.A N ASP 45.A O no hydrogen 3.014 N/A ILE 50.A N LEU 46.A O no hydrogen 2.878 N/A GLU 51.A N LYS 47.A O no hydrogen 2.999 N/A ILE 52.A N LYS 48.A O no hydrogen 2.922 N/A LEU 53.A N GLU 49.A O no hydrogen 2.835 N/A ARG 54.A N ILE 50.A O no hydrogen 3.012 N/A ARG 54.A NH2 TYR 64.A OH no hydrogen 3.398 N/A ASN 55.A N GLU 51.A O no hydrogen 3.263 N/A ASN 55.A N ILE 52.A O no hydrogen 3.155 N/A LEU 56.A N LEU 53.A O no hydrogen 2.951 N/A TYR 57.A N TYR 117.A OH no hydrogen 3.105 N/A ASN 60.A N HIS 58.A ND1 no hydrogen 2.917 N/A ILE 61.A N HIS 58.A O no hydrogen 3.034 N/A VAL 62.A N ILE 143.A O no hydrogen 2.961 N/A LYS 63.A N GLU 81.A OE2 no hydrogen 2.853 N/A LYS 63.A NZ TYR 57.A OH no hydrogen 3.551 N/A LYS 65.A N ILE 79.A O no hydrogen 2.807 N/A LYS 65.A NZ GLU 32.A OE1 no hydrogen 3.504 N/A GLY 66.A N ILE 79.A O no hydrogen 3.090 N/A ILE 67.A N THR 2.A O no hydrogen 3.066 N/A CYS 68.A N LYS 77.A O no hydrogen 3.015 N/A CYS 68.A SG THR 69.A O no hydrogen 4.015 N/A THR 69.A OG1 HIS 3.A NE2 no hydrogen 3.280 N/A GLU 70.A N GLY 75.A O no hydrogen 2.798 N/A GLY 75.A N GLU 70.A O no hydrogen 2.821 N/A LEU 78.A N LYS 37.A O no hydrogen 2.775 N/A ILE 79.A N GLY 66.A O no hydrogen 2.838 N/A MET 80.A N ALA 35.A O no hydrogen 2.859 N/A GLU 81.A N LYS 63.A O no hydrogen 3.094 N/A GLY 86.A N LEU 83.A O no hydrogen 3.112 N/A SER 87.A OG GLU 90.A OE1 no hydrogen 2.786 N/A LEU 88.A N VAL 133.A O no hydrogen 2.811 N/A GLU 90.A N SER 87.A O no hydrogen 3.104 N/A TYR 91.A N SER 87.A O no hydrogen 2.850 N/A LEU 92.A N LEU 88.A O no hydrogen 2.878 N/A ASN 95.A N LEU 92.A O no hydrogen 3.140 N/A LYS 98.A N ASN 97.A OD1 no hydrogen 3.143 N/A ILE 99.A N ASN 95.A O no hydrogen 3.304 N/A GLN 103.A N ASN 100.A OD1 no hydrogen 3.273 N/A GLN 103.A NE2 HIS 139.A ND1 no hydrogen 3.335 N/A GLN 104.A N ASN 100.A O no hydrogen 3.070 N/A GLN 104.A NE2 LEU 196.A O no hydrogen 2.771 N/A LEU 105.A N LEU 101.A O no hydrogen 2.874 N/A LYS 106.A N LYS 102.A O no hydrogen 3.021 N/A TYR 107.A N GLN 103.A O no hydrogen 3.114 N/A TYR 107.A OH GLU 138.A O no hydrogen 2.707 N/A ALA 108.A N GLN 104.A O no hydrogen 3.004 N/A VAL 109.A N LEU 105.A O no hydrogen 3.006 N/A GLN 110.A N LYS 106.A O no hydrogen 3.016 N/A GLN 110.A NE2 HIS 139.A O no hydrogen 2.903 N/A ILE 111.A N TYR 107.A O no hydrogen 2.891 N/A CYS 112.A N ALA 108.A O no hydrogen 3.029 N/A CYS 112.A SG ALA 108.A O no hydrogen 3.274 N/A LYS 113.A N VAL 109.A O no hydrogen 2.907 N/A LYS 113.A NZ GLU 272.A OE2 no hydrogen 3.548 N/A GLY 114.A N GLN 110.A O no hydrogen 2.941 N/A MET 115.A N ILE 111.A O no hydrogen 2.796 N/A ASP 116.A N CYS 112.A O no hydrogen 2.835 N/A TYR 117.A N LYS 113.A O no hydrogen 2.922 N/A LEU 118.A N GLY 114.A O no hydrogen 3.023 N/A GLY 119.A N MET 115.A O no hydrogen 2.791 N/A SER 120.A N ASP 116.A O no hydrogen 2.947 N/A SER 120.A OG TYR 117.A O no hydrogen 2.663 N/A ARG 121.A N TYR 117.A O no hydrogen 3.315 N/A ARG 121.A N LEU 118.A O no hydrogen 3.205 N/A GLN 122.A N GLY 119.A O no hydrogen 2.903 N/A TYR 123.A N LEU 118.A O no hydrogen 3.314 N/A VAL 124.A N LYS 150.A O no hydrogen 2.794 N/A HIS 125.A N ASP 185.A OD2 no hydrogen 2.804 N/A HIS 125.A NE2 ASP 145.A O no hydrogen 2.656 N/A ARG 126.A N ASP 185.A OD1 no hydrogen 3.015 N/A ARG 126.A NH1 LEU 148.A O no hydrogen 2.795 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.140 N/A ALA 130.A N GLU 195.A OE1 no hydrogen 2.848 N/A ARG 131.A NH2.A ASP 127.A OD1 no hydrogen 3.185 N/A ASN 132.A N ALA 129.A O no hydrogen 3.269 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.776 N/A ASN 132.A ND2 ASP 127.A OD2 no hydrogen 2.956 N/A VAL 133.A N ALA 130.A O no hydrogen 3.052 N/A LEU 134.A N LYS 142.A O no hydrogen 2.674 N/A VAL 135.A N GLY 86.A O no hydrogen 2.774 N/A GLU 136.A N GLN 140.A O no hydrogen 2.802 N/A SER 137.A N GLN 140.A O no hydrogen 3.296 N/A HIS 139.A N SER 137.A OG no hydrogen 3.217 N/A GLN 140.A N SER 137.A O no hydrogen 3.290 N/A GLN 140.A NE2 GLU 59.A O no hydrogen 2.811 N/A VAL 141.A N GLN 110.A OE1 no hydrogen 2.776 N/A LYS 142.A N LEU 134.A O no hydrogen 2.798 N/A LYS 142.A NZ GLU 81.A OE2 no hydrogen 2.752 N/A LYS 142.A NZ GLU 136.A OE2 no hydrogen 3.323 N/A ILE 143.A N ASN 60.A O no hydrogen 2.929 N/A GLY 144.A N ASN 132.A O no hydrogen 2.721 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 2.887 N/A THR 149.A N PHE 146.A O no hydrogen 3.139 N/A THR 149.A OG1 HIS 125.A O no hydrogen 3.480 N/A THR 149.A OG1 PHE 146.A O no hydrogen 3.169 N/A LYS 150.A N VAL 124.A O no hydrogen 2.875 N/A ILE 152.A N GLN 122.A O no hydrogen 2.779 N/A LYS 156.A N GLU 153.A O no hydrogen 3.071 N/A LYS 156.A NZ ASP 155.A O no hydrogen 3.471 N/A VAL 159.A N SER 178.A O no hydrogen 3.063 N/A LYS 160.A NZ THR 158.A O no hydrogen 2.848 N/A ARG 163.A N ASP 161.A OD1 no hydrogen 3.248 N/A SER 165.A N ASP 164.A OD1 no hydrogen 2.865 N/A VAL 167.A N SER 165.A O no hydrogen 2.864 N/A TRP 169.A N PRO 166.A O no hydrogen 2.838 N/A TRP 169.A NE1 GLU 195.A OE1 no hydrogen 2.854 N/A TYR 170.A N VAL 167.A O no hydrogen 3.231 N/A TYR 170.A OH ARG 126.A O no hydrogen 2.901 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.796 N/A CYS 174.A N ALA 171.A O no hydrogen 3.140 N/A CYS 174.A SG LYS 179.A O no hydrogen 3.503 N/A LEU 175.A N ALA 171.A O no hydrogen 3.261 N/A MET 176.A N PRO 172.A O no hydrogen 2.803 N/A GLN 177.A N GLU 173.A O no hydrogen 2.891 N/A SER 178.A N CYS 174.A O no hydrogen 3.011 N/A SER 178.A OG VAL 159.A O no hydrogen 3.434 N/A LYS 179.A N GLU 173.A O no hydrogen 3.296 N/A TYR 181.A N SER 184.A OG no hydrogen 2.802 N/A SER 184.A N TYR 181.A O no hydrogen 2.917 N/A SER 184.A OG GLU 173.A OE2 no hydrogen 2.692 N/A SER 184.A OG TYR 181.A O no hydrogen 3.134 N/A ASP 185.A N ILE 182.A O no hydrogen 2.922 N/A VAL 186.A N ILE 182.A O no hydrogen 3.243 N/A TRP 187.A N ALA 183.A O no hydrogen 3.188 N/A SER 188.A N SER 184.A O no hydrogen 3.178 N/A SER 188.A OG TRP 169.A O no hydrogen 2.750 N/A SER 188.A OG SER 184.A O no hydrogen 3.443 N/A PHE 189.A N ASP 185.A O no hydrogen 2.815 N/A GLY 190.A N VAL 186.A O no hydrogen 3.078 N/A VAL 191.A N TRP 187.A O no hydrogen 3.334 N/A THR 192.A N SER 188.A O no hydrogen 2.910 N/A THR 192.A OG1 SER 188.A O no hydrogen 2.812 N/A LEU 193.A N PHE 189.A O no hydrogen 2.719 N/A HIS 194.A N GLY 190.A O no hydrogen 3.040 N/A HIS 194.A NE2 PRO 237.A O no hydrogen 2.869 N/A GLU 195.A N VAL 191.A O no hydrogen 3.063 N/A LEU 196.A N THR 192.A O no hydrogen 3.076 N/A LEU 197.A N LEU 193.A O no hydrogen 2.960 N/A THR 198.A N HIS 194.A O no hydrogen 2.964 N/A THR 198.A OG1 HIS 194.A O no hydrogen 3.415 N/A THR 198.A OG1 GLU 195.A O no hydrogen 2.903 N/A TYR 199.A N LEU 196.A O no hydrogen 3.074 N/A TYR 199.A OH ILE 99.A O no hydrogen 2.808 N/A CYS 200.A N GLU 195.A O no hydrogen 2.776 N/A ASP 201.A N THR 198.A O no hydrogen 3.066 N/A SER 204.A N ASP 201.A O no hydrogen 3.073 N/A SER 204.A OG ASP 201.A OD2 no hydrogen 3.379 N/A SER 205.A N SER 202.A O no hydrogen 3.260 N/A SER 205.A OG SER 202.A O no hydrogen 3.282 N/A ALA 208.A N SER 205.A OG no hydrogen 3.056 N/A LEU 209.A N SER 205.A O no hydrogen 2.942 N/A PHE 210.A N PRO 206.A O no hydrogen 2.994 N/A LEU 211.A N MET 207.A O no hydrogen 3.015 N/A LYS 212.A N ALA 208.A O no hydrogen 3.190 N/A MET 213.A N LEU 209.A O no hydrogen 3.022 N/A ILE 214.A N PHE 210.A O no hydrogen 2.785 N/A GLY 215.A N LEU 211.A O no hydrogen 2.794 N/A THR 217.A OG1 HIS 218.A O no hydrogen 2.701 N/A GLY 219.A N THR 222.A OG1 no hydrogen 2.877 N/A MET 221.A N HIS 218.A O no hydrogen 3.172 N/A ARG 225.A N MET 221.A O no hydrogen 3.124 N/A ARG 225.A NH1 PRO 216.A O no hydrogen 3.091 N/A LEU 226.A N THR 222.A O no hydrogen 2.961 N/A VAL 227.A N VAL 223.A O no hydrogen 2.880 N/A ASN 228.A N THR 224.A O no hydrogen 2.965 N/A THR 229.A N ARG 225.A O no hydrogen 3.069 N/A THR 229.A OG1 ARG 225.A O no hydrogen 2.731 N/A LEU 230.A N LEU 226.A O no hydrogen 2.987 N/A LYS 231.A N VAL 227.A O no hydrogen 2.843 N/A GLU 232.A N ASN 228.A O no hydrogen 3.027 N/A GLY 233.A N LEU 230.A O no hydrogen 3.105 N/A LYS 234.A N THR 229.A O no hydrogen 3.228 N/A LYS 234.A NZ GLU 232.A OE1 no hydrogen 3.248 N/A ARG 235.A NE TRP 254.A O no hydrogen 2.878 N/A ARG 235.A NH1 LEU 230.A O no hydrogen 2.813 N/A ARG 235.A NH1 LYS 234.A O no hydrogen 2.896 N/A ARG 235.A NH2 TRP 254.A O no hydrogen 2.893 N/A CYS 238.A SG PRO 239.A O no hydrogen 3.679 N/A CYS 238.A SG CYS 242.A O no hydrogen 3.629 N/A CYS 242.A SG PRO 243.A O no hydrogen 3.694 N/A VAL 246.A N PRO 243.A O no hydrogen 2.996 N/A TYR 247.A N PRO 243.A O no hydrogen 3.126 N/A TYR 247.A OH LEU 236.A O no hydrogen 3.088 N/A GLN 248.A N ASP 244.A O no hydrogen 2.751 N/A LEU 249.A N GLU 245.A O no hydrogen 3.386 N/A MET 250.A N VAL 246.A O no hydrogen 2.947 N/A ARG 251.A N TYR 247.A O no hydrogen 2.772 N/A LYS 252.A N GLN 248.A O no hydrogen 3.181 N/A LYS 252.A NZ ASN 266.A OD1 no hydrogen 3.320 N/A CYS 253.A N MET 250.A O no hydrogen 3.267 N/A CYS 253.A SG LEU 249.A O no hydrogen 3.441 N/A TRP 254.A N ARG 251.A O no hydrogen 3.056 N/A TRP 254.A NE1 TRP 187.A O no hydrogen 3.214 N/A ASN 260.A N GLN 257.A O no hydrogen 3.040 N/A ARG 261.A N PRO 258.A O no hydrogen 3.127 N/A ARG 261.A NE GLU 255.A O no hydrogen 2.760 N/A ARG 261.A NH1 GLU 173.A OE2 no hydrogen 2.791 N/A ARG 261.A NH1 ALA 183.A O no hydrogen 2.826 N/A ARG 261.A NH2 GLU 173.A OE1 no hydrogen 2.739 N/A ARG 261.A NH2 GLU 173.A OE2 no hydrogen 3.473 N/A ARG 261.A NH2 GLU 255.A O no hydrogen 3.455 N/A ARG 261.A NH2 PHE 256.A O no hydrogen 3.146 N/A THR 262.A N LYS 252.A O no hydrogen 3.143 N/A THR 262.A OG1 SER 263.A O no hydrogen 3.360 N/A THR 262.A OG1 ASN 266.A OD1 no hydrogen 2.786 N/A GLN 265.A NE2 GLN 265.A O no hydrogen 3.116 N/A GLN 265.A NE2 GLU 269.A OE2 no hydrogen 3.263 N/A ASN 266.A N SER 263.A OG no hydrogen 3.181 N/A LEU 267.A N SER 263.A O no hydrogen 3.020 N/A ILE 268.A N PHE 264.A O no hydrogen 2.864 N/A GLU 269.A N GLN 265.A O no hydrogen 3.191 N/A GLY 270.A N ASN 266.A O no hydrogen 2.984 N/A PHE 271.A N LEU 267.A O no hydrogen 2.930 N/A GLU 272.A N ILE 268.A O no hydrogen 2.841 N/A ALA 273.A N GLU 269.A O no hydrogen 2.990 N/A LEU 274.A N PHE 271.A O no hydrogen 2.825 N/A LEU 275.A N GLU 272.A O no hydrogen 3.273 N/A