Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k1b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N LEU 2.A O no hydrogen 3.287 N/A GLN 7.A N ILE 24.A O no hydrogen 3.057 N/A GLN 7.A NE2 VAL 8.A O no hydrogen 3.211 N/A GLY 9.A N SER 22.A O no hydrogen 2.531 N/A LEU 12.A N VAL 20.A O no hydrogen 2.669 N/A GLY 13.A N VAL 20.A O no hydrogen 3.469 N/A GLY 15.A N GLY 18.A O no hydrogen 2.880 N/A GLY 18.A N GLY 15.A O no hydrogen 3.037 N/A SER 19.A N HIS 36.A O no hydrogen 3.149 N/A VAL 20.A N GLY 13.A O no hydrogen 3.040 N/A TYR 21.A N ILE 34.A O no hydrogen 2.762 N/A SER 22.A N PRO 10.A O no hydrogen 2.847 N/A GLY 23.A N VAL 32.A O no hydrogen 2.860 N/A ILE 24.A N GLN 7.A O no hydrogen 3.154 N/A ARG 25.A N LEU 30.A O no hydrogen 2.798 N/A ARG 25.A NE ASP 28.A OD2 no hydrogen 1.891 N/A VAL 26.A N GLN 5.A O no hydrogen 3.004 N/A SER 27.A OG VAL 26.A O no hydrogen 2.434 N/A ASP 28.A N ARG 25.A O no hydrogen 3.013 N/A VAL 32.A N GLY 23.A O no hydrogen 2.997 N/A ALA 33.A N LEU 88.A O no hydrogen 2.811 N/A ILE 34.A N TYR 21.A O no hydrogen 2.682 N/A LYS 35.A N LEU 86.A O no hydrogen 2.839 N/A LYS 35.A NZ GLU 57.A OE1 no hydrogen 3.164 N/A LYS 35.A NZ GLU 57.A OE2 no hydrogen 2.632 N/A HIS 36.A N SER 19.A O no hydrogen 2.788 N/A VAL 37.A N PHE 84.A O no hydrogen 2.976 N/A LYS 39.A N ASP 82.A O no hydrogen 2.951 N/A LYS 39.A NZ GLU 79.A OE2 no hydrogen 2.796 N/A LYS 39.A NZ ARG 80.A O no hydrogen 2.973 N/A LYS 39.A NZ PRO 81.A O no hydrogen 3.237 N/A ARG 41.A N GLU 38.A O no hydrogen 3.106 N/A ILE 42.A N LYS 39.A O no hydrogen 3.214 N/A GLY 46.A N VAL 54.A O no hydrogen 2.598 N/A LEU 48.A N THR 52.A O no hydrogen 3.060 N/A GLY 51.A N LEU 48.A O no hydrogen 2.685 N/A THR 52.A OG1 ASN 50.A OD1 no hydrogen 2.348 N/A VAL 54.A N GLY 46.A O no hydrogen 3.131 N/A MET 56.A N ASP 44.A O no hydrogen 3.112 N/A VAL 58.A N PRO 55.A O no hydrogen 2.858 N/A VAL 59.A N PRO 55.A O no hydrogen 3.435 N/A LEU 60.A N MET 56.A O no hydrogen 2.873 N/A LEU 61.A N GLU 57.A O no hydrogen 2.901 N/A LYS 62.A N VAL 58.A O no hydrogen 2.995 N/A LYS 63.A N VAL 59.A O no hydrogen 3.242 N/A VAL 64.A N LEU 60.A O no hydrogen 3.197 N/A VAL 64.A N LEU 61.A O no hydrogen 3.214 N/A SER 65.A N LEU 61.A O no hydrogen 2.853 N/A SER 65.A OG LEU 61.A O no hydrogen 2.552 N/A SER 66.A N VAL 64.A O no hydrogen 3.016 N/A ILE 72.A N LEU 152.A O no hydrogen 3.065 N/A ARG 73.A N GLU 89.A OE1 no hydrogen 2.859 N/A LEU 74.A N SER 65.A OG no hydrogen 2.929 N/A LEU 75.A N ILE 87.A O no hydrogen 2.785 N/A ASP 76.A N ILE 87.A O no hydrogen 3.493 N/A TRP 77.A N ASP 76.A OD1 no hydrogen 2.717 N/A PHE 78.A N VAL 85.A O no hydrogen 2.834 N/A ARG 80.A N SER 83.A O no hydrogen 2.732 N/A SER 83.A N ARG 80.A O no hydrogen 3.475 N/A PHE 84.A N VAL 37.A O no hydrogen 2.981 N/A VAL 85.A N PHE 78.A O no hydrogen 2.780 N/A LEU 86.A N LYS 35.A O no hydrogen 2.703 N/A ILE 87.A N ASP 76.A O no hydrogen 2.901 N/A LEU 88.A N ALA 33.A O no hydrogen 2.814 N/A GLU 89.A N ARG 73.A O no hydrogen 3.116 N/A ARG 90.A NE VAL 32.A O no hydrogen 2.945 N/A ARG 90.A NH1 GLY 23.A O no hydrogen 2.986 N/A GLN 95.A N ILE 143.A O no hydrogen 3.338 N/A LEU 97.A N ILE 141.A O no hydrogen 2.885 N/A ASP 99.A N ASP 96.A OD1 no hydrogen 2.646 N/A PHE 100.A N ASP 96.A O no hydrogen 3.104 N/A ILE 101.A N LEU 97.A O no hydrogen 2.924 N/A THR 102.A N PHE 98.A O no hydrogen 2.978 N/A THR 102.A OG1 PHE 98.A O no hydrogen 2.765 N/A GLU 103.A N ASP 99.A O no hydrogen 2.902 N/A ARG 104.A N PHE 100.A O no hydrogen 3.019 N/A ARG 104.A NH1 HIS 271.A O no hydrogen 3.347 N/A ARG 104.A NH2 HIS 271.A O no hydrogen 3.092 N/A GLY 105.A N ILE 101.A O no hydrogen 2.660 N/A LEU 107.A N MET 203.A O no hydrogen 2.825 N/A ALA 112.A N GLN 108.A O no hydrogen 2.903 N/A ARG 113.A N GLU 109.A O no hydrogen 2.758 N/A ARG 113.A NE TRP 257.A O no hydrogen 2.638 N/A ARG 113.A NH2 TRP 257.A O no hydrogen 3.399 N/A SER 114.A N GLU 110.A O no hydrogen 3.246 N/A SER 114.A OG THR 267.A OG1 no hydrogen 2.652 N/A PHE 115.A N LEU 111.A O no hydrogen 2.971 N/A PHE 116.A N ALA 112.A O no hydrogen 2.813 N/A TRP 117.A N ARG 113.A O no hydrogen 2.979 N/A GLN 118.A N SER 114.A O no hydrogen 3.198 N/A GLN 118.A NE2 GLY 148.A O no hydrogen 2.960 N/A VAL 119.A N PHE 115.A O no hydrogen 3.014 N/A LEU 120.A N PHE 116.A O no hydrogen 2.911 N/A GLU 121.A N TRP 117.A O no hydrogen 2.953 N/A ALA 122.A N GLN 118.A O no hydrogen 2.899 N/A VAL 123.A N VAL 119.A O no hydrogen 2.809 N/A ARG 124.A N LEU 120.A O no hydrogen 2.850 N/A ARG 124.A NH2 GLN 253.A OE1 no hydrogen 2.982 N/A HIS 125.A N GLU 121.A O no hydrogen 2.978 N/A HIS 125.A NE2 VAL 64.A O no hydrogen 2.881 N/A CYS 126.A N ALA 122.A O no hydrogen 3.046 N/A CYS 126.A SG ALA 122.A O no hydrogen 3.459 N/A HIS 127.A N VAL 123.A O no hydrogen 2.954 N/A ASN 128.A N ARG 124.A O no hydrogen 2.895 N/A CYS 129.A N HIS 125.A O no hydrogen 3.029 N/A CYS 129.A N CYS 126.A O no hydrogen 2.917 N/A CYS 129.A SG LYS 63.A O no hydrogen 3.361 N/A CYS 129.A SG HIS 125.A O no hydrogen 3.390 N/A GLY 130.A N HIS 127.A O no hydrogen 3.177 N/A VAL 131.A N CYS 126.A O no hydrogen 2.864 N/A LEU 132.A N ALA 159.A O no hydrogen 2.819 N/A HIS 133.A NE2 ILE 153.A O no hydrogen 2.951 N/A ARG 134.A NE SER 157.A O no hydrogen 2.837 N/A ARG 134.A NH1 SER 157.A O no hydrogen 3.149 N/A ARG 134.A NH1 GLY 158.A O no hydrogen 3.072 N/A ARG 134.A NH1 ASP 168.A OD2 no hydrogen 3.305 N/A ARG 134.A NH2 ASP 168.A OD1 no hydrogen 3.491 N/A ARG 134.A NH2 ASP 168.A OD2 no hydrogen 3.142 N/A ARG 134.A NH2 TYR 186.A OH no hydrogen 3.056 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 2.981 N/A LYS 137.A NZ GLU 139.A OE2 no hydrogen 3.048 N/A LYS 137.A NZ THR 172.A OG1 no hydrogen 2.711 N/A ASN 140.A N LYS 137.A O no hydrogen 2.985 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.846 N/A ASN 140.A ND2 ASP 135.A OD2 no hydrogen 3.043 N/A ILE 141.A N ASP 138.A O no hydrogen 3.123 N/A LEU 142.A N LYS 151.A O no hydrogen 2.788 N/A ILE 143.A N GLN 95.A O no hydrogen 2.860 N/A ASP 144.A N GLU 149.A O no hydrogen 2.806 N/A LEU 145.A N PRO 93.A O no hydrogen 3.294 N/A ARG 147.A N ASP 144.A OD1 no hydrogen 3.112 N/A GLY 148.A N ASP 144.A O no hydrogen 2.784 N/A LEU 150.A N GLN 118.A OE1 no hydrogen 2.871 N/A LYS 151.A N LEU 142.A O no hydrogen 2.782 N/A LYS 151.A NZ SER 69.A O no hydrogen 2.327 N/A LEU 152.A N GLY 70.A O no hydrogen 2.925 N/A ILE 153.A N ASN 140.A O no hydrogen 2.999 N/A GLY 156.A N ASP 154.A OD1 no hydrogen 3.090 N/A SER 157.A OG ASP 170.A O no hydrogen 3.420 N/A GLY 158.A N PHE 155.A O no hydrogen 3.046 N/A ALA 159.A N LEU 132.A O no hydrogen 2.958 N/A LEU 161.A N GLY 130.A O no hydrogen 2.928 N/A LYS 162.A N TYR 166.A OH no hydrogen 3.093 N/A LYS 162.A NZ VAL 165.A O no hydrogen 3.141 N/A TYR 166.A N TYR 186.A O no hydrogen 2.846 N/A TYR 166.A OH LEU 160.A O no hydrogen 2.783 N/A THR 172.A N ASP 135.A OD1 no hydrogen 3.055 N/A THR 172.A OG1 ASP 135.A OD1 no hydrogen 2.689 N/A ARG 173.A NE ASP 213.A OD1 no hydrogen 2.987 N/A ARG 173.A NH2 ASP 213.A OD1 no hydrogen 3.405 N/A ARG 173.A NH2 ASP 213.A OD2 no hydrogen 2.800 N/A TYR 175.A N THR 172.A O no hydrogen 3.127 N/A SER 176.A N ARG 173.A O no hydrogen 2.767 N/A SER 176.A OG ARG 173.A O no hydrogen 2.529 N/A GLU 179.A N GLU 179.A OE2 no hydrogen 2.696 N/A TRP 180.A N PRO 177.A O no hydrogen 3.033 N/A ILE 181.A N PRO 177.A O no hydrogen 3.287 N/A ARG 182.A N PRO 178.A O no hydrogen 2.875 N/A ARG 182.A NE TYR 183.A OH no hydrogen 3.148 N/A ARG 182.A NH2 TYR 183.A OH no hydrogen 3.297 N/A TYR 183.A N GLU 179.A O no hydrogen 2.916 N/A HIS 184.A N TRP 180.A O no hydrogen 2.944 N/A TYR 186.A N TYR 166.A O no hydrogen 3.246 N/A TYR 186.A OH ASP 168.A O no hydrogen 2.665 N/A SER 190.A OG HIS 187.A O no hydrogen 3.468 N/A ALA 191.A N HIS 187.A O no hydrogen 3.071 N/A ALA 192.A N GLY 188.A O no hydrogen 2.967 N/A VAL 193.A N ARG 189.A O no hydrogen 2.952 N/A TRP 194.A N SER 190.A O no hydrogen 3.172 N/A SER 195.A N ALA 191.A O no hydrogen 3.114 N/A SER 195.A OG ALA 192.A O no hydrogen 2.700 N/A LEU 196.A N ALA 192.A O no hydrogen 2.914 N/A GLY 197.A N VAL 193.A O no hydrogen 2.936 N/A ILE 198.A N TRP 194.A O no hydrogen 3.076 N/A LEU 199.A N SER 195.A O no hydrogen 2.885 N/A LEU 200.A N LEU 196.A O no hydrogen 2.857 N/A TYR 201.A N GLY 197.A O no hydrogen 3.060 N/A TYR 201.A OH PHE 222.A O no hydrogen 2.506 N/A ASP 202.A N ILE 198.A O no hydrogen 2.945 N/A MET 203.A N LEU 199.A O no hydrogen 3.027 N/A VAL 204.A N LEU 200.A O no hydrogen 3.178 N/A CYS 205.A N TYR 201.A O no hydrogen 2.782 N/A GLY 206.A N ASP 202.A O no hydrogen 2.729 N/A ILE 208.A N ASP 207.A OD1 no hydrogen 2.810 N/A GLU 211.A N GLU 215.A OE2 no hydrogen 2.730 N/A HIS 212.A N GLU 215.A OE2 no hydrogen 3.137 N/A GLU 214.A N GLU 214.A OE2 no hydrogen 2.711 N/A GLU 215.A N HIS 212.A O no hydrogen 3.032 N/A ILE 216.A N HIS 212.A O no hydrogen 3.185 N/A ILE 217.A N ASP 213.A O no hydrogen 2.939 N/A ARG 218.A N GLU 214.A O no hydrogen 2.925 N/A GLY 219.A N GLU 215.A O no hydrogen 2.953 N/A ARG 224.A NE TYR 201.A OH no hydrogen 3.422 N/A SER 228.A N GLU 109.A OE2 no hydrogen 2.699 N/A SER 228.A OG GLU 109.A OE1 no hydrogen 2.693 N/A SER 228.A OG GLU 109.A OE2 no hydrogen 3.270 N/A CYS 231.A N SER 228.A OG no hydrogen 3.344 N/A GLN 232.A N SER 228.A O no hydrogen 2.982 N/A GLN 232.A NE2 VAL 227.A O no hydrogen 3.333 N/A HIS 233.A N SER 229.A O no hydrogen 2.976 N/A HIS 233.A ND1 HIS 255.A NE2 no hydrogen 2.902 N/A LEU 234.A N GLU 230.A O no hydrogen 3.036 N/A ILE 235.A N CYS 231.A O no hydrogen 2.935 N/A ARG 236.A N GLN 232.A O no hydrogen 2.912 N/A ARG 236.A NH1 VAL 221.A O no hydrogen 2.775 N/A ARG 236.A NH2 GLN 232.A OE1 no hydrogen 2.877 N/A TRP 237.A N HIS 233.A O no hydrogen 2.851 N/A CYS 238.A N LEU 234.A O no hydrogen 2.904 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.470 N/A LEU 239.A N ILE 235.A O no hydrogen 2.936 N/A ALA 240.A N TRP 237.A O no hydrogen 3.180 N/A ASP 245.A N ARG 242.A O no hydrogen 2.835 N/A ARG 246.A N PRO 243.A O no hydrogen 3.224 N/A ARG 246.A NE ALA 240.A O no hydrogen 2.861 N/A ARG 246.A NH1 GLU 179.A OE1 no hydrogen 2.802 N/A ARG 246.A NH1 SER 190.A O no hydrogen 2.865 N/A ARG 246.A NH2 GLU 179.A OE1 no hydrogen 3.436 N/A ARG 246.A NH2 GLU 179.A OE2 no hydrogen 2.685 N/A ARG 246.A NH2 ALA 240.A O no hydrogen 3.354 N/A ARG 246.A NH2 LEU 241.A O no hydrogen 3.273 N/A THR 248.A N GLU 251.A OE1 no hydrogen 2.824 N/A THR 248.A OG1 GLU 251.A OE1 no hydrogen 3.451 N/A GLU 251.A N THR 248.A OG1 no hydrogen 3.007 N/A ILE 252.A N THR 248.A O no hydrogen 2.964 N/A GLN 253.A N PHE 249.A O no hydrogen 2.991 N/A GLN 253.A NE2 GLU 121.A OE2 no hydrogen 2.751 N/A ASN 254.A N GLU 250.A O no hydrogen 2.876 N/A HIS 255.A N ILE 252.A O no hydrogen 3.085 N/A HIS 255.A NE2 HIS 233.A ND1 no hydrogen 2.902 N/A TRP 257.A N HIS 255.A ND1 no hydrogen 3.060 N/A TRP 257.A NE1 GLU 109.A OE1 no hydrogen 2.783 N/A MET 258.A N HIS 255.A O no hydrogen 2.781 N/A GLN 259.A N PRO 256.A O no hydrogen 3.470 N/A GLN 259.A NE2 GLN 253.A O no hydrogen 3.045 N/A GLN 259.A NE2 HIS 255.A O no hydrogen 2.933 N/A LEU 263.A N GLU 266.A OE1 no hydrogen 3.058 N/A GLN 265.A NE2 ASN 146.A O no hydrogen 3.393 N/A GLN 265.A NE2 GLN 265.A O no hydrogen 3.295 N/A THR 267.A N LEU 263.A O no hydrogen 2.938 N/A THR 267.A OG1 SER 114.A OG no hydrogen 2.652 N/A THR 267.A OG1 LEU 263.A O no hydrogen 2.789 N/A ALA 268.A N PRO 264.A O no hydrogen 2.972 N/A GLU 269.A N GLN 265.A O no hydrogen 3.024 N/A ILE 270.A N GLU 266.A O no hydrogen 2.911 N/A HIS 271.A N THR 267.A O no hydrogen 2.863 N/A HIS 271.A NE2 GLU 110.A OE1 no hydrogen 2.822 N/A LEU 272.A N ALA 268.A O no hydrogen 2.831 N/A HIS 273.A N ALA 268.A O no hydrogen 2.677 N/A HIS 273.A NE2 ASN 146.A O no hydrogen 3.117 N/A