Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ckj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N TYR 9.A O no hydrogen 2.878 N/A ARG 8.A NH1 ASN 7.A OD1 no hydrogen 3.095 N/A TYR 9.A N VAL 5.A O no hydrogen 3.200 N/A TYR 9.A OH ASP 28.A OD2 no hydrogen 2.838 N/A ARG 10.A N THR 27.A O no hydrogen 2.654 N/A LEU 11.A N LEU 3.A O no hydrogen 3.026 N/A LYS 14.A NZ TYR 24.A OH no hydrogen 2.874 N/A GLY 16.A N ILE 23.A O no hydrogen 3.147 N/A SER 17.A OG GLY 18.A O no hydrogen 3.443 N/A SER 17.A OG GLY 21.A O no hydrogen 2.913 N/A GLY 18.A N GLY 21.A O no hydrogen 2.791 N/A SER 19.A N ASP 149.A OD2 no hydrogen 3.267 N/A SER 19.A OG ASP 149.A OD1 no hydrogen 2.751 N/A SER 19.A OG ASP 149.A OD2 no hydrogen 3.262 N/A ILE 23.A N GLY 16.A O no hydrogen 2.736 N/A TYR 24.A N ILE 37.A O no hydrogen 2.818 N/A LEU 25.A N ARG 13.A O no hydrogen 2.798 N/A GLY 26.A N VAL 35.A O no hydrogen 3.008 N/A THR 27.A N ARG 10.A O no hydrogen 2.808 N/A ASP 28.A N GLU 33.A O no hydrogen 2.771 N/A ILE 29.A N ARG 8.A O no hydrogen 2.660 N/A ALA 31.A N ASP 28.A O no hydrogen 2.887 N/A GLU 33.A N ASP 28.A O no hydrogen 3.289 N/A VAL 35.A N GLY 26.A O no hydrogen 2.830 N/A ALA 36.A N MET 82.A O no hydrogen 2.918 N/A ILE 37.A N TYR 24.A O no hydrogen 2.904 N/A LYS 38.A N MET 80.A O no hydrogen 2.790 N/A LYS 38.A NZ GLU 52.A OE1 no hydrogen 3.039 N/A LEU 39.A N ASP 22.A O no hydrogen 3.436 N/A VAL 42.A N ASP 76.A O no hydrogen 2.683 N/A GLN 48.A NE2 GLN 48.A O no hydrogen 3.400 N/A LEU 49.A N GLU 40.A OE1 no hydrogen 3.183 N/A ILE 51.A N GLN 48.A O no hydrogen 2.996 N/A GLU 52.A N GLN 48.A O no hydrogen 3.233 N/A SER 53.A N LEU 49.A O no hydrogen 3.257 N/A SER 53.A OG LEU 49.A O no hydrogen 3.373 N/A ILE 55.A N ILE 51.A O no hydrogen 3.208 N/A TYR 56.A N GLU 52.A O no hydrogen 2.975 N/A LYS 57.A N SER 53.A O no hydrogen 2.917 N/A MET 58.A N LYS 54.A O no hydrogen 2.974 N/A MET 58.A N ILE 55.A O no hydrogen 2.829 N/A MET 59.A N ILE 55.A O no hydrogen 2.887 N/A GLN 60.A NE2 LYS 57.A O no hydrogen 2.902 N/A GLY 62.A N MET 59.A O no hydrogen 2.997 N/A THR 67.A N GLU 83.A OE1 no hydrogen 3.146 N/A ARG 69.A N VAL 81.A O no hydrogen 2.644 N/A ARG 69.A NH2 GLU 33.A OE2 no hydrogen 2.791 N/A TRP 70.A N VAL 81.A O no hydrogen 3.202 N/A CYS 71.A SG SER 53.A OG no hydrogen 3.419 N/A GLY 72.A N VAL 79.A O no hydrogen 2.910 N/A GLU 74.A N TYR 77.A O no hydrogen 2.706 N/A TYR 77.A N GLU 74.A O no hydrogen 3.152 N/A ASN 78.A N GLU 40.A O no hydrogen 3.411 N/A ASN 78.A ND2 GLY 72.A O no hydrogen 3.506 N/A MET 80.A N LYS 38.A O no hydrogen 2.905 N/A VAL 81.A N TRP 70.A O no hydrogen 2.647 N/A MET 82.A N ALA 36.A O no hydrogen 2.851 N/A GLU 83.A N THR 67.A O no hydrogen 2.901 N/A GLY 86.A N MET 136.A O no hydrogen 2.645 N/A SER 88.A N ASP 91.A OD2 no hydrogen 3.223 N/A LEU 89.A N PRO 131.A O no hydrogen 3.150 N/A LEU 89.A N PHE 134.A O no hydrogen 3.123 N/A GLU 90.A N SER 88.A OG no hydrogen 3.250 N/A ASP 91.A N SER 88.A OG no hydrogen 3.173 N/A LEU 92.A N SER 88.A O no hydrogen 3.114 N/A PHE 93.A N LEU 89.A O no hydrogen 2.871 N/A ASN 94.A N GLU 90.A O no hydrogen 2.903 N/A ASN 94.A ND2 GLU 90.A O no hydrogen 3.069 N/A ASN 94.A ND2 GLU 90.A OE2 no hydrogen 3.002 N/A PHE 95.A N ASP 91.A O no hydrogen 2.802 N/A CYS 96.A N LEU 92.A O no hydrogen 2.945 N/A CYS 96.A SG LEU 92.A O no hydrogen 3.192 N/A SER 97.A N ASN 94.A O no hydrogen 2.595 N/A ARG 98.A N PHE 93.A O no hydrogen 2.740 N/A ARG 98.A NH1 GLU 90.A OE2 no hydrogen 3.186 N/A ARG 98.A NH1 ASN 94.A OD1 no hydrogen 2.779 N/A ARG 98.A NH2 TYR 205.A OH no hydrogen 2.684 N/A ARG 98.A NH2 GLY 209.A O no hydrogen 3.445 N/A SER 101.A N ASP 289.A OD2 no hydrogen 2.818 N/A SER 101.A OG ASP 289.A OD1 no hydrogen 2.564 N/A LYS 103.A NZ ASP 285.A OD1 no hydrogen 2.746 N/A LYS 103.A NZ VAL 287.A O no hydrogen 3.545 N/A THR 104.A OG1 ASP 289.A OD1 no hydrogen 3.101 N/A VAL 105.A N SER 101.A O no hydrogen 2.966 N/A LEU 106.A N LEU 102.A O no hydrogen 2.786 N/A LEU 107.A N LYS 103.A O no hydrogen 2.720 N/A LEU 108.A N THR 104.A O no hydrogen 2.731 N/A ALA 109.A N VAL 105.A O no hydrogen 2.731 N/A ASP 110.A N LEU 106.A O no hydrogen 3.245 N/A GLN 111.A N LEU 108.A O no hydrogen 2.943 N/A GLN 111.A NE2 ASN 143.A O no hydrogen 2.902 N/A MET 112.A N LEU 108.A O no hydrogen 2.948 N/A ILE 113.A N ALA 109.A O no hydrogen 3.011 N/A SER 114.A N GLN 111.A O no hydrogen 2.912 N/A SER 114.A OG ASP 110.A O no hydrogen 2.988 N/A ARG 115.A N GLN 111.A O no hydrogen 2.984 N/A ARG 115.A NE VAL 145.A O no hydrogen 2.680 N/A ARG 115.A NH2 VAL 145.A O no hydrogen 3.493 N/A ILE 116.A N MET 112.A O no hydrogen 3.070 N/A GLU 117.A N ILE 113.A O no hydrogen 2.924 N/A TYR 118.A N SER 114.A O no hydrogen 2.984 N/A TYR 118.A OH MET 59.A O no hydrogen 3.201 N/A ILE 119.A N ARG 115.A O no hydrogen 3.127 N/A HIS 120.A N ILE 116.A O no hydrogen 3.292 N/A HIS 120.A ND1 TYR 266.A OH no hydrogen 2.720 N/A HIS 120.A NE2 ASP 195.A OD2 no hydrogen 2.986 N/A SER 121.A N GLU 117.A O no hydrogen 3.128 N/A SER 121.A OG TYR 118.A O no hydrogen 2.804 N/A LYS 122.A N ILE 119.A O no hydrogen 3.073 N/A LYS 122.A NZ MET 58.A O no hydrogen 2.754 N/A ASN 123.A N HIS 120.A O no hydrogen 2.800 N/A PHE 124.A N ILE 119.A O no hydrogen 3.301 N/A ILE 125.A N LYS 154.A O no hydrogen 2.769 N/A HIS 126.A N ASP 195.A OD2 no hydrogen 2.794 N/A HIS 126.A NE2 ILE 148.A O no hydrogen 3.030 N/A ARG 127.A N ASP 195.A OD1 no hydrogen 2.977 N/A ARG 127.A NE LEU 152.A O no hydrogen 2.643 N/A ARG 127.A NH1 LEU 173.A O no hydrogen 2.702 N/A ARG 127.A NH1 GLN 190.A OE1 no hydrogen 3.503 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.187 N/A LYS 130.A NZ ASP 128.A OD2 no hydrogen 2.966 N/A ASN 133.A N LYS 130.A O no hydrogen 2.939 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.820 N/A LEU 135.A N TYR 146.A O no hydrogen 2.911 N/A MET 136.A N PRO 87.A O no hydrogen 3.043 N/A GLY 137.A N LEU 144.A O no hydrogen 2.967 N/A LYS 141.A N LEU 138.A O no hydrogen 3.035 N/A GLY 142.A N GLY 139.A O no hydrogen 2.888 N/A LEU 144.A N LYS 141.A O no hydrogen 2.877 N/A VAL 145.A N GLN 111.A OE1 no hydrogen 2.912 N/A TYR 146.A N LEU 135.A O no hydrogen 2.600 N/A ILE 147.A N GLY 64.A O no hydrogen 2.902 N/A ILE 148.A N ASN 133.A O no hydrogen 2.850 N/A ASP 149.A N TYR 56.A OH no hydrogen 2.905 N/A PHE 150.A N GLU 52.A OE2 no hydrogen 3.390 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 3.368 N/A LYS 154.A N ILE 125.A O no hydrogen 3.070 N/A LYS 154.A NZ LYS 155.A O no hydrogen 3.392 N/A TYR 156.A N ASN 123.A O no hydrogen 2.728 N/A TYR 156.A OH HIS 120.A O no hydrogen 2.826 N/A ARG 157.A NE ASN 123.A OD1 no hydrogen 2.787 N/A ARG 157.A NH2 SER 121.A O no hydrogen 3.425 N/A ARG 157.A NH2 ASN 123.A OD1 no hydrogen 3.435 N/A ASP 158.A N GLN 163.A O no hydrogen 3.076 N/A ARG 160.A N ASP 158.A OD1 no hydrogen 2.871 N/A THR 161.A N ASP 158.A OD1 no hydrogen 3.124 N/A HIS 164.A ND1 ILE 165.A O no hydrogen 3.024 N/A ILE 165.A N TYR 156.A O no hydrogen 3.104 N/A ASN 170.A N GLY 187.A O no hydrogen 3.034 N/A ASN 172.A N ASN 170.A OD1 no hydrogen 2.667 N/A LEU 173.A N ASN 172.A OD1 no hydrogen 3.071 N/A THR 176.A N ASP 128.A OD1 no hydrogen 3.024 N/A THR 176.A OG1 ASP 128.A OD1 no hydrogen 3.343 N/A ARG 178.A NH1 TYR 179.A OH no hydrogen 2.584 N/A TYR 179.A N THR 176.A O no hydrogen 3.290 N/A SER 181.A OG THR 184.A OG1 no hydrogen 2.650 N/A SER 181.A OG ASP 194.A OD1 no hydrogen 2.565 N/A ASN 183.A ND2 ASP 194.A OD1 no hydrogen 3.118 N/A THR 184.A OG1 SER 181.A OG no hydrogen 2.650 N/A HIS 185.A N SER 181.A O no hydrogen 3.298 N/A LEU 186.A N ILE 182.A O no hydrogen 2.861 N/A GLY 187.A N THR 184.A O no hydrogen 3.073 N/A ILE 188.A N ASN 183.A O no hydrogen 2.972 N/A GLU 189.A N ARG 168.A O no hydrogen 3.059 N/A GLN 190.A N GLU 189.A OE1 no hydrogen 3.311 N/A SER 191.A N ASP 194.A OD2 no hydrogen 2.965 N/A SER 191.A OG PHE 260.A O no hydrogen 2.741 N/A ARG 193.A NH1 LEU 258.A O no hydrogen 3.187 N/A ASP 194.A N SER 191.A O no hydrogen 2.913 N/A ASP 195.A N ARG 192.A O no hydrogen 3.174 N/A GLU 197.A N ARG 193.A O no hydrogen 2.994 N/A GLU 197.A N ASP 194.A O no hydrogen 3.245 N/A SER 198.A N ASP 194.A O no hydrogen 3.196 N/A SER 198.A OG ASP 194.A O no hydrogen 2.785 N/A LEU 199.A N ASP 195.A O no hydrogen 3.383 N/A GLY 200.A N LEU 196.A O no hydrogen 3.272 N/A TYR 201.A N GLU 197.A O no hydrogen 3.234 N/A TYR 201.A OH GLU 197.A OE2 no hydrogen 2.655 N/A VAL 202.A N SER 198.A O no hydrogen 2.812 N/A LEU 203.A N LEU 199.A O no hydrogen 2.763 N/A MET 204.A N GLY 200.A O no hydrogen 2.977 N/A TYR 205.A N TYR 201.A O no hydrogen 2.785 N/A TYR 205.A OH GLU 90.A OE1 no hydrogen 2.950 N/A TYR 205.A OH GLU 90.A OE2 no hydrogen 3.386 N/A PHE 206.A N VAL 202.A O no hydrogen 3.009 N/A ASN 207.A N LEU 203.A O no hydrogen 3.202 N/A LEU 208.A N MET 204.A O no hydrogen 2.805 N/A GLY 209.A N TYR 205.A O no hydrogen 2.807 N/A LEU 211.A N GLN 214.A OE1 no hydrogen 2.770 N/A TRP 213.A NE1 ARG 178.A O no hydrogen 2.808 N/A GLN 214.A N LEU 211.A O no hydrogen 2.904 N/A ARG 227.A N LYS 224.A O no hydrogen 2.945 N/A ARG 227.A NH1 LEU 216.A O no hydrogen 2.628 N/A ILE 228.A N LYS 224.A O no hydrogen 3.342 N/A SER 229.A N TYR 225.A O no hydrogen 2.815 N/A SER 229.A OG TYR 225.A O no hydrogen 2.773 N/A GLU 230.A N GLU 226.A O no hydrogen 3.112 N/A LYS 231.A N ARG 227.A O no hydrogen 2.768 N/A LYS 232.A N ILE 228.A O no hydrogen 2.753 N/A LYS 232.A NZ ALA 177.A O no hydrogen 2.741 N/A LYS 232.A NZ ARG 178.A O no hydrogen 3.251 N/A LYS 232.A NZ ALA 180.A O no hydrogen 2.905 N/A LYS 232.A NZ HIS 185.A NE2 no hydrogen 3.121 N/A MET 233.A N SER 229.A O no hydrogen 2.938 N/A SER 234.A N GLU 230.A O no hydrogen 2.862 N/A SER 234.A OG GLU 230.A O no hydrogen 2.899 N/A THR 235.A OG1 LYS 231.A O no hydrogen 2.707 N/A VAL 239.A N PRO 236.A O no hydrogen 2.871 N/A LEU 240.A N PRO 236.A O no hydrogen 2.992 N/A CYS 241.A N ILE 237.A O no hydrogen 2.883 N/A CYS 241.A SG ILE 237.A O no hydrogen 3.380 N/A LYS 242.A N VAL 239.A O no hydrogen 3.240 N/A TYR 244.A N CYS 241.A O no hydrogen 3.073 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.865 N/A PHE 248.A N PRO 245.A O no hydrogen 3.083 N/A THR 250.A N SER 246.A O no hydrogen 2.914 N/A THR 250.A OG1 SER 246.A O no hydrogen 2.806 N/A TYR 251.A N GLU 247.A O no hydrogen 2.974 N/A TYR 251.A OH LEU 196.A O no hydrogen 2.776 N/A LEU 252.A N PHE 248.A O no hydrogen 3.130 N/A ASN 253.A N ALA 249.A O no hydrogen 2.941 N/A ASN 253.A ND2 GLU 238.A OE2 no hydrogen 3.329 N/A ASN 253.A ND2 ALA 249.A O no hydrogen 3.307 N/A PHE 254.A N THR 250.A O no hydrogen 3.268 N/A CYS 255.A N TYR 251.A O no hydrogen 3.201 N/A CYS 255.A SG TYR 251.A O no hydrogen 3.416 N/A ARG 256.A N LEU 252.A O no hydrogen 3.020 N/A ARG 256.A NH1 GLU 197.A OE2 no hydrogen 3.023 N/A SER 257.A N ASN 253.A O no hydrogen 3.037 N/A SER 257.A N PHE 254.A O no hydrogen 3.283 N/A SER 257.A OG PHE 254.A O no hydrogen 2.701 N/A LEU 258.A N PHE 254.A O no hydrogen 3.368 N/A ARG 259.A N ASP 262.A OD2 no hydrogen 3.037 N/A ASP 262.A N ARG 259.A O no hydrogen 2.952 N/A TYR 266.A N PRO 264.A O no hydrogen 3.012 N/A TYR 266.A OH HIS 120.A ND1 no hydrogen 2.720 N/A SER 267.A OG ASP 265.A OD1 no hydrogen 3.180 N/A TYR 268.A N ASP 265.A OD1 no hydrogen 2.985 N/A LEU 269.A N ASP 265.A O no hydrogen 3.286 N/A ARG 270.A N TYR 266.A O no hydrogen 2.813 N/A ARG 270.A NH1 GLU 117.A OE1 no hydrogen 2.642 N/A ARG 270.A NH2 GLU 117.A OE1 no hydrogen 2.895 N/A GLN 271.A N SER 267.A O no hydrogen 2.663 N/A LEU 272.A N TYR 268.A O no hydrogen 2.978 N/A ARG 274.A N ARG 270.A O no hydrogen 2.934 N/A ARG 274.A NE ASP 110.A OD1 no hydrogen 3.045 N/A ARG 274.A NH2 ASP 110.A OD1 no hydrogen 3.491 N/A ARG 274.A NH2 ASP 110.A OD2 no hydrogen 3.336 N/A ASN 275.A N GLN 271.A O no hydrogen 3.004 N/A LEU 276.A N LEU 272.A O no hydrogen 3.373 N/A PHE 277.A N PHE 273.A O no hydrogen 2.787 N/A HIS 278.A N ARG 274.A O no hydrogen 2.840 N/A ARG 279.A N ASN 275.A O no hydrogen 2.964 N/A ARG 279.A NH1 GLU 247.A OE2 no hydrogen 3.545 N/A ARG 279.A NH2 GLU 247.A OE2 no hydrogen 2.826 N/A GLN 280.A N LEU 276.A O no hydrogen 2.990 N/A GLY 281.A N HIS 278.A O no hydrogen 3.133 N/A PHE 282.A N PHE 277.A O no hydrogen 3.326 N/A PHE 288.A N ASN 291.A OD1 no hydrogen 3.055 N/A ASP 289.A N THR 104.A OG1 no hydrogen 3.148 N/A ASN 291.A N PHE 288.A O no hydrogen 2.828 N/A MET 292.A N PHE 288.A O no hydrogen 3.420 N/A MET 292.A N ASP 289.A O no hydrogen 2.879 N/A LEU 293.A N ASP 289.A O no hydrogen 3.047 N/A PHE 295.A N MET 292.A O no hydrogen 2.802 N/A GLY 296.A N LEU 293.A O no hydrogen 3.241 N/A