Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k1g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ MET 248.A O no hydrogen 3.008 N/A LYS 2.A NZ ASP 250.A O no hydrogen 2.906 N/A LYS 2.A NZ ASP 254.A OD2 no hydrogen 2.783 N/A ILE 4.A N THR 27.A OG1 no hydrogen 2.839 N/A GLY 5.A N LEU 258.A O no hydrogen 2.906 N/A HIS 7.A N LEU 260.A O no hydrogen 3.046 N/A VAL 8.A N ALA 30.A O no hydrogen 3.087 N/A ALA 11.A N SER 9.A OG no hydrogen 3.125 N/A GLY 13.A N ALA 10.A O no hydrogen 3.047 N/A ASN 16.A N GLY 13.A O no hydrogen 3.083 N/A ALA 17.A N LEU 14.A O no hydrogen 2.934 N/A ILE 19.A N ALA 15.A O no hydrogen 3.226 N/A ARG 20.A N ASN 16.A O no hydrogen 2.869 N/A ARG 20.A NH1 SER 9.A O no hydrogen 2.799 N/A ARG 20.A NH1 ALA 11.A O no hydrogen 3.026 N/A ARG 20.A NH2 ALA 11.A O no hydrogen 3.372 N/A ALA 21.A N ALA 17.A O no hydrogen 2.959 N/A ALA 22.A N ALA 18.A O no hydrogen 2.969 N/A GLU 23.A N ILE 19.A O no hydrogen 2.984 N/A ILE 24.A N ALA 21.A O no hydrogen 3.241 N/A ASP 25.A N ALA 22.A O no hydrogen 3.053 N/A ALA 26.A N ALA 21.A O no hydrogen 3.091 N/A THR 27.A N ILE 4.A O no hydrogen 2.660 N/A THR 27.A OG1 ILE 4.A O no hydrogen 3.441 N/A PHE 29.A N GLN 65.A O no hydrogen 3.123 N/A ALA 30.A N ALA 6.A O no hydrogen 3.112 N/A LYS 34.A NZ ASN 35.A O no hydrogen 2.885 N/A LYS 34.A NZ GLN 38.A O no hydrogen 2.666 N/A GLN 36.A N GLN 36.A OE1 no hydrogen 2.672 N/A ARG 37.A N ASN 35.A OD1 no hydrogen 3.052 N/A GLN 38.A N ASN 35.A O no hydrogen 3.257 N/A ILE 49.A N THR 45.A O no hydrogen 3.039 N/A ASP 50.A N THR 46.A O no hydrogen 2.855 N/A GLU 51.A N GLN 47.A O no hydrogen 2.801 N/A PHE 52.A N THR 48.A O no hydrogen 2.911 N/A LYS 53.A N ILE 49.A O no hydrogen 2.900 N/A ALA 54.A N ASP 50.A O no hydrogen 2.731 N/A ALA 55.A N GLU 51.A O no hydrogen 2.975 N/A CYS 56.A N PHE 52.A O no hydrogen 2.975 N/A CYS 56.A SG PHE 52.A O no hydrogen 3.390 N/A GLU 57.A N LYS 53.A O no hydrogen 2.972 N/A LYS 58.A N ALA 54.A O no hydrogen 2.823 N/A TYR 59.A N ALA 55.A O no hydrogen 2.850 N/A HIS 60.A N GLU 57.A O no hydrogen 3.288 N/A TYR 61.A N CYS 56.A O no hydrogen 2.751 N/A TYR 61.A OH ALA 26.A O no hydrogen 2.716 N/A THR 62.A N GLN 65.A OE1 no hydrogen 2.911 N/A THR 62.A OG1 GLN 65.A OE1 no hydrogen 2.926 N/A GLN 65.A N THR 62.A O no hydrogen 2.970 N/A GLN 65.A NE2 THR 27.A O no hydrogen 2.726 N/A GLN 65.A NE2 HIS 60.A O no hydrogen 3.337 N/A ILE 66.A N SER 63.A O no hydrogen 3.345 N/A LEU 67.A N PHE 29.A O no hydrogen 2.908 N/A ALA 69.A N LEU 31.A O no hydrogen 2.933 N/A ASP 70.A N ASN 107.A O no hydrogen 3.057 N/A SER 71.A N GLU 94.A OE1 no hydrogen 2.915 N/A TYR 72.A N GLN 36.A O no hydrogen 2.955 N/A LEU 73.A N SER 71.A OG no hydrogen 3.100 N/A ASN 75.A N SER 87.A OG no hydrogen 2.856 N/A ASN 75.A ND2 SER 112.A O no hydrogen 3.102 N/A GLY 77.A N ASN 75.A OD1 no hydrogen 3.106 N/A HIS 78.A N ASN 75.A O no hydrogen 3.231 N/A VAL 80.A N HIS 78.A ND1 no hydrogen 2.989 N/A LEU 84.A N VAL 80.A O no hydrogen 2.823 N/A GLU 85.A N THR 81.A O no hydrogen 3.086 N/A LYS 86.A N GLU 82.A O no hydrogen 3.074 N/A SER 87.A N ALA 83.A O no hydrogen 2.973 N/A SER 87.A OG ASN 75.A O no hydrogen 3.541 N/A SER 87.A OG ALA 83.A O no hydrogen 3.358 N/A ARG 88.A N LEU 84.A O no hydrogen 2.843 N/A ARG 88.A NE SER 129.A OG no hydrogen 2.806 N/A ARG 88.A NH2 ARG 125.A O no hydrogen 3.155 N/A ASP 89.A N GLU 85.A O no hydrogen 2.893 N/A ALA 90.A N LYS 86.A O no hydrogen 3.104 N/A PHE 91.A N SER 87.A O no hydrogen 2.969 N/A ILE 92.A N ARG 88.A O no hydrogen 2.966 N/A ASP 93.A N ASP 89.A O no hydrogen 3.026 N/A GLU 94.A N ALA 90.A O no hydrogen 2.806 N/A MET 95.A N PHE 91.A O no hydrogen 2.885 N/A GLN 96.A N ILE 92.A O no hydrogen 2.849 N/A ARG 97.A N ASP 93.A O no hydrogen 2.977 N/A ARG 97.A NE THR 33.A OG1 no hydrogen 3.143 N/A ARG 97.A NH1 THR 33.A O no hydrogen 2.830 N/A ARG 97.A NH2 ALA 42.A O no hydrogen 3.146 N/A CYS 98.A N GLU 94.A O no hydrogen 3.154 N/A CYS 98.A SG GLU 94.A O no hydrogen 3.509 N/A CYS 98.A SG LEU 105.A O no hydrogen 3.942 N/A GLU 99.A N MET 95.A O no hydrogen 3.011 N/A GLN 100.A N GLN 96.A O no hydrogen 2.919 N/A LEU 101.A N ARG 97.A O no hydrogen 3.026 N/A GLY 102.A N GLU 99.A O no hydrogen 3.066 N/A LEU 103.A N CYS 98.A O no hydrogen 2.884 N/A LEU 106.A N THR 141.A O no hydrogen 2.945 N/A ASN 107.A N PRO 68.A O no hydrogen 2.772 N/A PHE 108.A N VAL 143.A O no hydrogen 3.024 N/A SER 112.A N ASN 75.A OD1 no hydrogen 3.046 N/A HIS 113.A N SER 152.A O no hydrogen 3.331 N/A LEU 114.A N SER 152.A OG no hydrogen 2.926 N/A MET 115.A N HIS 113.A ND1 no hydrogen 2.959 N/A GLN 116.A N HIS 113.A O no hydrogen 3.051 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.798 N/A ASP 121.A N SER 118.A OG no hydrogen 3.108 N/A CYS 122.A N SER 118.A O no hydrogen 2.958 N/A CYS 122.A SG GLY 77.A O no hydrogen 3.368 N/A LEU 123.A N GLU 119.A O no hydrogen 2.895 N/A ALA 124.A N GLU 120.A O no hydrogen 2.981 N/A ARG 125.A N ASP 121.A O no hydrogen 3.007 N/A ARG 125.A NH1 HIS 78.A O no hydrogen 2.905 N/A ILE 126.A N CYS 122.A O no hydrogen 2.970 N/A ALA 127.A N LEU 123.A O no hydrogen 3.047 N/A GLU 128.A N ALA 124.A O no hydrogen 3.088 N/A SER 129.A N ARG 125.A O no hydrogen 2.880 N/A SER 129.A OG LEU 76.A O no hydrogen 2.661 N/A SER 129.A OG ARG 125.A O no hydrogen 3.049 N/A ILE 130.A N ILE 126.A O no hydrogen 3.006 N/A ASN 131.A N ALA 127.A O no hydrogen 2.906 N/A ILE 132.A N GLU 128.A O no hydrogen 2.892 N/A ALA 133.A N SER 129.A O no hydrogen 3.160 N/A LEU 134.A N ILE 130.A O no hydrogen 2.899 N/A ASP 135.A N ASN 131.A O no hydrogen 2.975 N/A LYS 136.A N ALA 133.A O no hydrogen 3.304 N/A THR 137.A OG1 ALA 133.A O no hydrogen 2.825 N/A GLN 138.A N GLU 99.A OE2 no hydrogen 3.078 N/A THR 141.A N SER 104.A O no hydrogen 2.864 N/A ALA 142.A N ARG 173.A O no hydrogen 2.844 N/A VAL 143.A N LEU 106.A O no hydrogen 2.816 N/A ILE 144.A N GLY 175.A O no hydrogen 2.853 N/A GLU 145.A N PHE 108.A O no hydrogen 2.818 N/A ASN 146.A N CYS 177.A O no hydrogen 3.238 N/A ASN 146.A ND2 ASP 179.A O no hydrogen 3.418 N/A THR 147.A N GLY 155.A O no hydrogen 2.778 N/A THR 147.A OG1 LEU 154.A O no hydrogen 2.832 N/A ASN 153.A N GLN 150.A O no hydrogen 2.897 N/A ASN 153.A ND2 SER 112.A OG no hydrogen 2.494 N/A LEU 154.A N GLY 111.A O no hydrogen 2.984 N/A GLY 155.A N HIS 160.A ND1 no hydrogen 2.917 N/A PHE 158.A N TYR 188.A OH no hydrogen 2.802 N/A GLU 159.A N GLU 159.A OE2 no hydrogen 2.724 N/A HIS 160.A N LYS 157.A O no hydrogen 3.032 N/A ALA 162.A N PHE 158.A O no hydrogen 3.010 N/A ALA 163.A N GLU 159.A O no hydrogen 2.894 N/A ILE 164.A N HIS 160.A O no hydrogen 3.060 N/A ILE 165.A N LEU 161.A O no hydrogen 3.025 N/A ASP 166.A N ALA 162.A O no hydrogen 3.021 N/A GLY 167.A N ILE 164.A O no hydrogen 2.953 N/A VAL 168.A N ILE 165.A O no hydrogen 2.960 N/A LYS 171.A NZ ILE 165.A O no hydrogen 3.440 N/A LYS 171.A NZ ASP 166.A O no hydrogen 3.555 N/A LYS 171.A NZ VAL 168.A O no hydrogen 2.664 N/A SER 172.A N ASP 170.A OD1 no hydrogen 3.098 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.651 N/A SER 172.A OG ASP 170.A OD2 no hydrogen 3.407 N/A ARG 173.A N ASP 170.A O no hydrogen 3.130 N/A ARG 173.A NE ASP 170.A OD2 no hydrogen 2.764 N/A ARG 173.A NH1 LEU 134.A O no hydrogen 2.980 N/A ARG 173.A NH1 THR 137.A O no hydrogen 3.057 N/A ARG 173.A NH2 LEU 134.A O no hydrogen 3.201 N/A ARG 173.A NH2 ASP 170.A OD2 no hydrogen 2.919 N/A GLY 175.A N ALA 142.A O no hydrogen 2.903 N/A VAL 176.A N TYR 211.A O no hydrogen 2.761 N/A CYS 177.A N ILE 144.A O no hydrogen 2.891 N/A ILE 178.A N GLY 214.A O no hydrogen 3.338 N/A ASP 179.A N ASN 146.A OD1 no hydrogen 2.730 N/A THR 180.A N HIS 216.A O no hydrogen 3.008 N/A THR 180.A OG1 HIS 216.A O no hydrogen 3.449 N/A THR 180.A OG1 ASN 218.A O no hydrogen 2.683 N/A CYS 181.A SG ARG 230.A O no hydrogen 3.543 N/A HIS 182.A N ASP 179.A OD2 no hydrogen 3.092 N/A HIS 182.A ND1 ASN 146.A O no hydrogen 2.755 N/A ALA 183.A N ASP 179.A O no hydrogen 2.908 N/A PHE 184.A N THR 180.A O no hydrogen 3.041 N/A ALA 185.A N CYS 181.A O no hydrogen 2.966 N/A ALA 186.A N HIS 182.A O no hydrogen 2.975 N/A GLY 187.A N PHE 184.A O no hydrogen 3.059 N/A TYR 188.A N ALA 183.A O no hydrogen 2.888 N/A LEU 190.A N ASP 189.A OD1 no hydrogen 2.863 N/A ARG 191.A N ASP 189.A OD1 no hydrogen 3.285 N/A ARG 191.A NE ASP 189.A OD1 no hydrogen 2.973 N/A ARG 191.A NE ASP 189.A OD2 no hydrogen 3.473 N/A ARG 191.A NH1 ASP 189.A OD2 no hydrogen 3.058 N/A GLU 195.A N THR 192.A OG1 no hydrogen 3.014 N/A CYS 196.A N THR 192.A O no hydrogen 3.006 N/A CYS 196.A SG LEU 190.A O no hydrogen 3.382 N/A CYS 196.A SG THR 192.A O no hydrogen 3.541 N/A GLU 197.A N PRO 193.A O no hydrogen 2.855 N/A LYS 198.A N ALA 194.A O no hydrogen 2.984 N/A LYS 198.A NZ ASP 202.A OD1 no hydrogen 2.909 N/A THR 199.A N GLU 195.A O no hydrogen 2.823 N/A THR 199.A OG1 ASP 189.A O no hydrogen 2.722 N/A THR 199.A OG1 GLU 195.A O no hydrogen 3.176 N/A PHE 200.A N CYS 196.A O no hydrogen 2.961 N/A ALA 201.A N GLU 197.A O no hydrogen 2.891 N/A ASP 202.A N LYS 198.A O no hydrogen 3.062 N/A PHE 203.A N THR 199.A O no hydrogen 3.017 N/A ALA 204.A N PHE 200.A O no hydrogen 2.847 N/A ARG 205.A N ALA 201.A O no hydrogen 3.177 N/A ARG 205.A NH2 ASP 202.A OD1 no hydrogen 2.803 N/A THR 206.A N ASP 202.A O no hydrogen 2.943 N/A THR 206.A OG1 ASP 202.A O no hydrogen 3.208 N/A VAL 207.A N PHE 203.A O no hydrogen 2.832 N/A GLY 208.A N PHE 203.A O no hydrogen 3.021 N/A TYR 211.A N GLY 208.A O no hydrogen 3.195 N/A LEU 212.A N PHE 209.A O no hydrogen 3.054 N/A ARG 213.A N VAL 176.A O no hydrogen 2.829 N/A ARG 213.A NH1 LYS 210.A O no hydrogen 2.776 N/A ARG 213.A NH2 LYS 210.A O no hydrogen 3.065 N/A ARG 213.A NH2 LEU 212.A O no hydrogen 3.202 N/A MET 215.A N PRO 257.A O no hydrogen 2.978 N/A HIS 216.A N ILE 178.A O no hydrogen 2.928 N/A HIS 216.A ND1 GLU 145.A OE2 no hydrogen 3.032 N/A LEU 217.A N ILE 259.A O no hydrogen 2.643 N/A ASN 218.A N THR 180.A OG1 no hydrogen 2.937 N/A ASP 219.A N HIS 232.A O no hydrogen 3.138 N/A ALA 220.A N ASP 219.A OD2 no hydrogen 2.633 N/A LYS 221.A N ARG 230.A O no hydrogen 2.752 N/A SER 222.A N ARG 230.A O no hydrogen 3.480 N/A SER 222.A OG VAL 228.A O no hydrogen 2.647 N/A GLY 225.A N PHE 184.A O no hydrogen 3.129 N/A SER 226.A N THR 223.A O no hydrogen 3.069 N/A SER 226.A OG THR 223.A O no hydrogen 2.790 N/A ARG 227.A N ALA 185.A O no hydrogen 2.758 N/A ARG 227.A NE GLY 149.A O no hydrogen 2.900 N/A ARG 227.A NH2 GLY 149.A O no hydrogen 3.048 N/A VAL 228.A N SER 226.A OG no hydrogen 3.242 N/A ASP 229.A N GLN 150.A OE1 no hydrogen 2.848 N/A ARG 230.A NH1 ASP 229.A O no hydrogen 2.798 N/A HIS 231.A ND1 GLU 261.A O no hydrogen 2.856 N/A HIS 232.A N ASP 219.A O no hydrogen 2.998 N/A SER 233.A N HIS 232.A ND1 no hydrogen 2.863 N/A LEU 234.A N GLU 271.A OE1 no hydrogen 2.972 N/A GLY 235.A N ASP 219.A OD1 no hydrogen 2.983 N/A GLU 236.A N SER 233.A O no hydrogen 3.101 N/A GLY 237.A N ASP 219.A OD1 no hydrogen 3.162 N/A ASN 238.A N ALA 220.A O no hydrogen 2.723 N/A ILE 239.A N ASP 219.A OD2 no hydrogen 2.822 N/A GLY 240.A N ASP 219.A OD1 no hydrogen 3.164 N/A GLY 240.A N ASP 219.A OD2 no hydrogen 3.469 N/A PHE 244.A N HIS 241.A O no hydrogen 3.122 N/A ARG 245.A N HIS 241.A O no hydrogen 3.172 N/A ARG 245.A NE GLN 278.A OE1 no hydrogen 2.997 N/A ARG 245.A NH1 ASP 242.A OD2 no hydrogen 2.883 N/A TRP 246.A N ASP 242.A O no hydrogen 3.009 N/A ILE 247.A N ALA 243.A O no hydrogen 3.005 N/A MET 248.A N PHE 244.A O no hydrogen 3.081 N/A GLN 249.A N ARG 245.A O no hydrogen 3.147 N/A GLN 249.A N TRP 246.A O no hydrogen 3.248 N/A ASP 250.A N ILE 247.A O no hydrogen 3.118 N/A ARG 252.A N ASP 250.A OD2 no hydrogen 2.957 N/A ARG 252.A NE ASP 250.A OD1 no hydrogen 3.267 N/A ARG 252.A NE ASP 250.A OD2 no hydrogen 3.023 N/A ARG 252.A NH2 ASP 250.A OD1 no hydrogen 2.703 N/A PHE 253.A N ASP 250.A O no hydrogen 3.303 N/A ASP 254.A N ASP 251.A O no hydrogen 3.231 N/A GLY 255.A N MET 1.A O no hydrogen 2.757 N/A LEU 258.A N TYR 3.A O no hydrogen 2.886 N/A ILE 259.A N MET 215.A O no hydrogen 2.769 N/A LEU 260.A N GLY 5.A O no hydrogen 2.897 N/A THR 262.A OG1 GLU 271.A OE2 no hydrogen 2.693 N/A ILE 267.A N ASN 264.A O no hydrogen 3.095 N/A TRP 268.A N PRO 265.A O no hydrogen 3.170 N/A GLU 271.A N ILE 267.A O no hydrogen 2.948 N/A ILE 272.A N TRP 268.A O no hydrogen 2.857 N/A ALA 273.A N ALA 269.A O no hydrogen 3.033 N/A TRP 274.A N GLU 270.A O no hydrogen 2.862 N/A LEU 275.A N GLU 271.A O no hydrogen 2.850 N/A LYS 276.A N ILE 272.A O no hydrogen 2.904 N/A LYS 276.A NZ ASP 25.A O no hydrogen 2.563 N/A ALA 277.A N ALA 273.A O no hydrogen 3.016 N/A GLN 278.A N TRP 274.A O no hydrogen 3.100 N/A GLN 278.A N LEU 275.A O no hydrogen 3.089 N/A GLN 278.A NE2 TRP 274.A O no hydrogen 2.944 N/A GLN 279.A N LYS 276.A O no hydrogen 3.355 N/A GLN 279.A NE2 LYS 276.A O no hydrogen 3.176 N/A THR 280.A N ALA 277.A O no hydrogen 3.202 N/A THR 280.A OG1 ALA 277.A O no hydrogen 3.500 N/A GLU 281.A N GLN 278.A O no hydrogen 3.324 N/A