Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ki0_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ LYS 3.A O no hydrogen 3.170 N/A ARG 5.A N SER 1.A O no hydrogen 3.129 N/A LEU 6.A N GLN 2.A O no hydrogen 3.413 N/A PHE 7.A N LYS 3.A O no hydrogen 3.223 N/A ILE 8.A N ALA 4.A O no hydrogen 3.244 N/A THR 9.A N ARG 5.A O no hydrogen 2.838 N/A THR 9.A OG1 ARG 5.A O no hydrogen 2.634 N/A HIS 10.A N LEU 6.A O no hydrogen 2.943 N/A LEU 11.A N PHE 7.A O no hydrogen 2.905 N/A LEU 12.A N ILE 8.A O no hydrogen 2.815 N/A LEU 13.A N THR 9.A O no hydrogen 2.742 N/A LEU 14.A N HIS 10.A O no hydrogen 3.036 N/A LEU 15.A N LEU 11.A O no hydrogen 3.066 N/A PHE 16.A N LEU 12.A O no hydrogen 2.913 N/A ILE 17.A N LEU 13.A O no hydrogen 2.699 N/A ALA 18.A N LEU 14.A O no hydrogen 2.875 N/A ALA 19.A N LEU 15.A O no hydrogen 3.127 N/A ILE 20.A N PHE 16.A O no hydrogen 3.073 N/A MET 21.A N ILE 17.A O no hydrogen 2.854 N/A PHE 22.A N ALA 18.A O no hydrogen 3.193 N/A PHE 22.A N ALA 19.A O no hydrogen 3.151 N/A LEU 25.A N MET 21.A O no hydrogen 2.882 N/A MET 26.A N PHE 22.A O no hydrogen 3.174 N/A VAL 27.A N PRO 23.A O no hydrogen 3.264 N/A VAL 28.A N LEU 24.A O no hydrogen 3.047 N/A ALA 29.A N LEU 25.A O no hydrogen 2.746 N/A ILE 30.A N MET 26.A O no hydrogen 2.913 N/A SER 31.A N VAL 27.A O no hydrogen 3.030 N/A SER 31.A OG VAL 28.A O no hydrogen 2.577 N/A LEU 32.A N ALA 29.A O no hydrogen 3.099 N/A ARG 33.A N ILE 30.A O no hydrogen 3.371 N/A ARG 33.A NH1 PHE 37.A O no hydrogen 3.008 N/A ARG 33.A NH2 SER 41.A O no hydrogen 2.852 N/A GLN 34.A N GLN 46.A O no hydrogen 2.936 N/A SER 41.A OG ILE 43.A O no hydrogen 2.965 N/A SER 48.A N LEU 32.A O no hydrogen 2.714 N/A ASP 50.A N SER 48.A OG no hydrogen 3.193 N/A HIS 51.A ND1 ASP 255.A OD1 no hydrogen 2.896 N/A HIS 51.A NE2 ARG 33.A O no hydrogen 2.827 N/A HIS 51.A NE2 GLY 35.A O no hydrogen 2.708 N/A TRP 52.A NE1 SER 31.A OG no hydrogen 3.014 N/A LYS 53.A N TRP 49.A O no hydrogen 2.788 N/A LEU 54.A N ASP 50.A O no hydrogen 2.935 N/A ALA 55.A N HIS 51.A O no hydrogen 3.158 N/A LEU 56.A N TRP 52.A O no hydrogen 2.795 N/A LEU 56.A N LYS 53.A O no hydrogen 3.198 N/A GLY 57.A N LEU 54.A O no hydrogen 3.210 N/A PHE 58.A N LYS 53.A O no hydrogen 2.641 N/A VAL 60.A N THR 68.A O no hydrogen 2.953 N/A GLY 65.A N GLN 62.A O no hydrogen 3.031 N/A ARG 66.A NH1 ASP 64.A OD2 no hydrogen 3.427 N/A THR 68.A N VAL 60.A O no hydrogen 2.871 N/A THR 68.A OG1 GLN 62.A OE1 no hydrogen 2.611 N/A VAL 74.A N PHE 72.A O no hydrogen 3.143 N/A TRP 77.A N PRO 73.A O no hydrogen 3.059 N/A TRP 77.A NE1 VAL 233.A O no hydrogen 3.077 N/A LEU 78.A N VAL 74.A O no hydrogen 2.897 N/A TRP 79.A N LEU 75.A O no hydrogen 2.932 N/A ASN 80.A N LEU 76.A O no hydrogen 2.900 N/A ASN 80.A ND2 ASN 234.A O no hydrogen 3.033 N/A ASN 80.A ND2 TYR 236.A O no hydrogen 2.849 N/A SER 81.A N TRP 77.A O no hydrogen 2.931 N/A SER 81.A OG TRP 77.A O no hydrogen 3.272 N/A VAL 82.A N LEU 78.A O no hydrogen 2.967 N/A LYS 83.A N TRP 79.A O no hydrogen 2.878 N/A VAL 84.A N ASN 80.A O no hydrogen 2.916 N/A ALA 85.A N SER 81.A O no hydrogen 2.814 N/A GLY 86.A N VAL 82.A O no hydrogen 2.733 N/A ILE 87.A N LYS 83.A O no hydrogen 2.972 N/A SER 88.A N VAL 84.A O no hydrogen 3.130 N/A SER 88.A OG VAL 84.A O no hydrogen 2.619 N/A SER 88.A OG ALA 85.A O no hydrogen 3.205 N/A ALA 89.A N ALA 85.A O no hydrogen 2.831 N/A ILE 90.A N GLY 86.A O no hydrogen 3.096 N/A GLY 91.A N ILE 87.A O no hydrogen 3.015 N/A ILE 92.A N SER 88.A O no hydrogen 2.902 N/A VAL 93.A N ALA 89.A O no hydrogen 2.956 N/A ALA 94.A N ILE 90.A O no hydrogen 2.887 N/A LEU 95.A N GLY 91.A O no hydrogen 2.907 N/A SER 96.A N ILE 92.A O no hydrogen 2.892 N/A SER 96.A OG ILE 92.A O no hydrogen 2.458 N/A THR 97.A N VAL 93.A O no hydrogen 2.980 N/A THR 97.A OG1 VAL 93.A O no hydrogen 2.807 N/A THR 98.A OG1 ALA 94.A O no hydrogen 2.930 N/A THR 98.A OG1 LEU 95.A O no hydrogen 3.024 N/A CYS 99.A N LEU 95.A O no hydrogen 3.348 N/A ALA 100.A N SER 96.A O no hydrogen 2.769 N/A TYR 101.A N THR 97.A O no hydrogen 2.965 N/A TYR 101.A OH PRO 192.A O no hydrogen 2.725 N/A ALA 102.A N THR 98.A O no hydrogen 3.368 N/A PHE 103.A N CYS 99.A O no hydrogen 3.092 N/A ALA 104.A N ALA 100.A O no hydrogen 2.730 N/A ARG 105.A N TYR 101.A O no hydrogen 2.851 N/A ARG 105.A NE GLU 182.A OE1 no hydrogen 2.893 N/A ARG 105.A NE GLU 182.A OE2 no hydrogen 3.180 N/A ARG 105.A NH1 PHE 174.A O no hydrogen 3.097 N/A ARG 105.A NH2 PHE 174.A O no hydrogen 3.006 N/A ARG 105.A NH2 ILE 177.A O no hydrogen 3.311 N/A ARG 105.A NH2 GLU 182.A OE2 no hydrogen 2.702 N/A MET 106.A N ALA 102.A O no hydrogen 2.858 N/A LYS 111.A NZ PHE 103.A O no hydrogen 3.138 N/A LYS 111.A NZ MET 106.A O no hydrogen 2.770 N/A LEU 114.A N GLY 110.A O no hydrogen 2.828 N/A LEU 115.A N LYS 111.A O no hydrogen 3.072 N/A LYS 116.A N ALA 112.A O no hydrogen 3.045 N/A GLY 117.A N THR 113.A O no hydrogen 2.745 N/A MET 118.A N LEU 114.A O no hydrogen 2.698 N/A LEU 119.A N LEU 115.A O no hydrogen 3.125 N/A ILE 120.A N LYS 116.A O no hydrogen 2.838 N/A PHE 121.A N GLY 117.A O no hydrogen 2.755 N/A GLN 122.A N MET 118.A O no hydrogen 3.330 N/A MET 123.A N ILE 120.A O no hydrogen 3.072 N/A PHE 124.A N PHE 121.A O no hydrogen 3.418 N/A SER 129.A N ALA 126.A O no hydrogen 3.050 N/A SER 129.A OG ALA 126.A O no hydrogen 3.011 N/A ALA 132.A N LEU 128.A O no hydrogen 3.417 N/A LEU 133.A N SER 129.A O no hydrogen 2.883 N/A TYR 134.A N LEU 130.A O no hydrogen 3.003 N/A ALA 135.A N VAL 131.A O no hydrogen 3.470 N/A LEU 136.A N ALA 132.A O no hydrogen 3.039 N/A PHE 137.A N LEU 133.A O no hydrogen 2.885 N/A ASP 138.A N TYR 134.A O no hydrogen 2.871 N/A ARG 139.A N ALA 135.A O no hydrogen 3.246 N/A ARG 139.A NH1 ALA 135.A O no hydrogen 3.542 N/A LEU 140.A N LEU 136.A O no hydrogen 2.867 N/A GLY 141.A N PHE 137.A O no hydrogen 2.968 N/A GLU 142.A N ARG 139.A O no hydrogen 2.985 N/A TYR 143.A N LEU 140.A O no hydrogen 2.957 N/A ILE 144.A N LEU 140.A O no hydrogen 2.780 N/A ILE 147.A N ILE 144.A O no hydrogen 3.140 N/A GLY 148.A N PRO 145.A O no hydrogen 3.283 N/A ASN 150.A N LEU 229.A O no hydrogen 2.587 N/A THR 151.A OG1 GLY 148.A O no hydrogen 2.554 N/A HIS 152.A NE2 SER 235.A O no hydrogen 2.785 N/A GLY 154.A N THR 151.A OG1 no hydrogen 2.943 N/A VAL 155.A N THR 151.A O no hydrogen 3.437 N/A ILE 156.A N HIS 152.A O no hydrogen 2.843 N/A PHE 157.A N GLY 153.A O no hydrogen 2.754 N/A ALA 158.A N GLY 154.A O no hydrogen 2.925 N/A TYR 159.A N VAL 155.A O no hydrogen 3.256 N/A TYR 159.A OH GLU 222.A OE1 no hydrogen 2.416 N/A LEU 160.A N ILE 156.A O no hydrogen 3.195 N/A LEU 160.A N PHE 157.A O no hydrogen 3.277 N/A GLY 162.A N TYR 159.A O no hydrogen 3.151 N/A VAL 167.A N ILE 163.A O no hydrogen 2.799 N/A TRP 168.A N ALA 164.A O no hydrogen 3.188 N/A THR 169.A N LEU 165.A O no hydrogen 2.880 N/A THR 169.A OG1 LEU 165.A O no hydrogen 2.799 N/A ILE 170.A N HIS 166.A O no hydrogen 2.961 N/A LYS 171.A N VAL 167.A O no hydrogen 2.942 N/A LYS 171.A NZ GLU 175.A OE2 no hydrogen 2.873 N/A GLY 172.A N TRP 168.A O no hydrogen 3.021 N/A TYR 173.A N THR 169.A O no hydrogen 3.302 N/A PHE 174.A N ILE 170.A O no hydrogen 2.954 N/A GLU 175.A N LYS 171.A O no hydrogen 3.075 N/A GLU 175.A N GLY 172.A O no hydrogen 3.259 N/A THR 176.A N TYR 173.A O no hydrogen 2.882 N/A THR 176.A OG1 TYR 173.A O no hydrogen 2.554 N/A ILE 177.A N PHE 174.A O no hydrogen 3.167 N/A SER 180.A N ASP 178.A OD1 no hydrogen 3.124 N/A SER 180.A OG ASP 178.A OD1 no hydrogen 2.372 N/A GLU 183.A N SER 179.A O no hydrogen 2.868 N/A ALA 184.A N SER 180.A O no hydrogen 2.794 N/A ALA 185.A N LEU 181.A O no hydrogen 3.011 N/A ALA 186.A N GLU 182.A O no hydrogen 2.885 N/A LEU 187.A N GLU 183.A O no hydrogen 3.114 N/A ASP 188.A N ALA 184.A O no hydrogen 2.972 N/A GLY 189.A N ALA 186.A O no hydrogen 2.908 N/A ALA 190.A N ALA 185.A O no hydrogen 3.168 N/A THR 191.A N GLN 194.A OE1 no hydrogen 2.987 N/A GLN 194.A N THR 191.A OG1 no hydrogen 3.166 N/A ALA 195.A N THR 191.A O no hydrogen 2.872 N/A PHE 196.A N PRO 192.A O no hydrogen 2.991 N/A ARG 197.A N TRP 193.A O no hydrogen 2.797 N/A LEU 198.A N GLN 194.A O no hydrogen 2.746 N/A VAL 199.A N ALA 195.A O no hydrogen 3.050 N/A LEU 200.A N ALA 195.A O no hydrogen 3.052 N/A LEU 201.A N PHE 196.A O no hydrogen 3.037 N/A LEU 203.A N LEU 200.A O no hydrogen 3.131 N/A SER 204.A N LEU 201.A O no hydrogen 2.843 N/A SER 204.A OG LEU 200.A O no hydrogen 2.900 N/A ILE 207.A N SER 204.A O no hydrogen 3.065 N/A LEU 208.A N SER 204.A O no hydrogen 3.357 N/A ALA 209.A N VAL 205.A O no hydrogen 3.124 N/A VAL 210.A N PRO 206.A O no hydrogen 3.140 N/A VAL 211.A N ILE 207.A O no hydrogen 2.949 N/A PHE 212.A N LEU 208.A O no hydrogen 2.983 N/A ILE 213.A N ALA 209.A O no hydrogen 2.803 N/A LEU 214.A N VAL 210.A O no hydrogen 2.951 N/A SER 215.A N VAL 211.A O no hydrogen 3.079 N/A SER 215.A OG VAL 211.A O no hydrogen 2.697 N/A PHE 216.A N PHE 212.A O no hydrogen 2.912 N/A ILE 217.A N ILE 213.A O no hydrogen 3.095 N/A ALA 218.A N LEU 214.A O no hydrogen 3.124 N/A ALA 219.A N SER 215.A O no hydrogen 3.090 N/A ILE 220.A N PHE 216.A O no hydrogen 2.827 N/A THR 221.A N ILE 217.A O no hydrogen 3.041 N/A THR 221.A N ALA 218.A O no hydrogen 3.274 N/A THR 221.A OG1 ILE 217.A O no hydrogen 3.040 N/A THR 221.A OG1 ALA 218.A O no hydrogen 3.153 N/A GLU 222.A N ALA 219.A O no hydrogen 3.307 N/A VAL 225.A N GLU 222.A OE2 no hydrogen 2.799 N/A ALA 226.A N GLU 222.A OE1 no hydrogen 3.017 N/A SER 227.A N VAL 223.A O no hydrogen 2.766 N/A LEU 228.A N PRO 224.A O no hydrogen 3.059 N/A LEU 228.A N VAL 225.A O no hydrogen 3.228 N/A LEU 229.A N VAL 225.A O no hydrogen 3.120 N/A LEU 230.A N ALA 226.A O no hydrogen 2.894 N/A ARG 231.A N ASN 150.A OD1 no hydrogen 2.903 N/A ASP 232.A N ASN 150.A OD1 no hydrogen 3.108 N/A SER 235.A N ASP 232.A O no hydrogen 3.021 N/A SER 235.A OG ASN 150.A OD1 no hydrogen 3.524 N/A SER 235.A OG ASP 232.A O no hydrogen 2.759 N/A TYR 236.A N VAL 233.A O no hydrogen 3.128 N/A TYR 236.A OH ARG 231.A O no hydrogen 3.360 N/A LEU 238.A N SER 81.A OG no hydrogen 2.793 N/A GLY 241.A N THR 237.A O no hydrogen 2.758 N/A MET 242.A N LEU 238.A O no hydrogen 2.913 N/A GLN 243.A N VAL 240.A O no hydrogen 3.124 N/A GLN 244.A N GLY 241.A O no hydrogen 3.069 N/A TYR 245.A N MET 242.A O no hydrogen 3.148 N/A LEU 246.A N GLN 243.A O no hydrogen 3.009 N/A ASN 247.A N ASN 250.A O no hydrogen 3.062 N/A ASN 247.A ND2 ASN 250.A O no hydrogen 3.555 N/A LEU 252.A N TYR 245.A O no hydrogen 2.828 N/A GLY 254.A N ASN 36.A OD1 no hydrogen 2.827 N/A PHE 256.A N LEU 252.A O no hydrogen 3.040 N/A ALA 257.A N TRP 253.A O no hydrogen 2.744 N/A ALA 258.A N GLY 254.A O no hydrogen 3.191 N/A ALA 259.A N ASP 255.A O no hydrogen 3.174 N/A ALA 260.A N PHE 256.A O no hydrogen 2.856 N/A VAL 261.A N ALA 257.A O no hydrogen 2.961 N/A MET 262.A N ALA 258.A O no hydrogen 3.085 N/A SER 263.A N ALA 259.A O no hydrogen 3.048 N/A SER 263.A OG ALA 260.A O no hydrogen 2.664 N/A ALA 264.A N VAL 261.A O no hydrogen 3.103 N/A LEU 265.A N MET 262.A O no hydrogen 3.111 N/A THR 268.A N ALA 264.A O no hydrogen 2.993 N/A THR 268.A OG1 ALA 264.A O no hydrogen 2.819 N/A ILE 269.A N LEU 265.A O no hydrogen 3.126 N/A VAL 270.A N PRO 266.A O no hydrogen 2.976 N/A PHE 271.A N ILE 267.A O no hydrogen 2.871 N/A LEU 272.A N THR 268.A O no hydrogen 2.919 N/A LEU 273.A N ILE 269.A O no hydrogen 2.911 N/A ALA 274.A N VAL 270.A O no hydrogen 2.820 N/A GLN 275.A N LEU 272.A O no hydrogen 3.114 N/A GLN 275.A NE2 PHE 271.A O no hydrogen 2.869 N/A ARG 276.A N LEU 273.A O no hydrogen 3.506 N/A TRP 277.A N ALA 274.A O no hydrogen 3.279 N/A LEU 278.A N GLN 275.A O no hydrogen 2.983 N/A ALA 284.A N GLY 281.A O no hydrogen 3.349 N/A GLY 286.A N THR 283.A O no hydrogen 3.276 N/A