Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kqg_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 3.A OE2 no hydrogen 2.910 N/A GLU 3.A N GLU 3.A OE1 no hydrogen 2.769 N/A THR 4.A OG1 ASP 6.A OD1 no hydrogen 2.502 N/A GLN 5.A N MET 2.A O no hydrogen 3.058 N/A ILE 7.A N SER 20.A O no hydrogen 2.933 N/A ILE 8.A N GLN 119.A O no hydrogen 2.875 N/A LYS 9.A NZ GLU 103.A O no hydrogen 3.360 N/A LYS 9.A NZ GLN 119.A OE1 no hydrogen 2.878 N/A ARG 10.A NH1 THR 13.A OG1 no hydrogen 2.816 N/A SER 11.A N ILE 117.A O no hydrogen 2.870 N/A SER 11.A OG SER 113.A O no hydrogen 2.789 N/A SER 11.A OG ILE 117.A O no hydrogen 3.457 N/A THR 13.A OG1 ARG 10.A O no hydrogen 3.464 N/A THR 13.A OG1 SER 11.A O no hydrogen 2.910 N/A ILE 16.A N ASN 14.A OD1 no hydrogen 2.893 N/A THR 17.A N ASN 14.A O no hydrogen 3.002 N/A THR 17.A OG1 ASN 14.A O no hydrogen 3.210 N/A GLN 21.A NE2 PRO 19.A O no hydrogen 2.899 N/A ARG 23.A N GLN 5.A O no hydrogen 2.970 N/A ARG 23.A NE GLN 5.A OE1 no hydrogen 2.998 N/A ARG 23.A NH2 GLN 5.A OE1 no hydrogen 3.296 N/A LYS 26.A NZ ASP 6.A OD2 no hydrogen 2.901 N/A VAL 29.A N ASN 122.A O no hydrogen 3.001 N/A ALA 30.A N GLY 186.A O no hydrogen 2.900 N/A LYS 31.A N HIS 222.A O no hydrogen 2.824 N/A LEU 32.A N HIS 184.A O no hydrogen 2.838 N/A ILE 33.A N MET 224.A O no hydrogen 2.759 N/A ASP 34.A N ALA 182.A O no hydrogen 2.857 N/A VAL 35.A N VAL 226.A O no hydrogen 3.129 N/A SER 36.A N ASP 34.A OD1 no hydrogen 3.044 N/A SER 36.A OG ASP 34.A OD1 no hydrogen 2.751 N/A SER 36.A OG ASP 34.A OD2 no hydrogen 3.370 N/A THR 37.A N ASP 34.A O no hydrogen 2.975 N/A THR 37.A OG1 ASP 34.A OD2 no hydrogen 2.843 N/A CYS 38.A N VAL 35.A O no hydrogen 3.293 N/A CYS 38.A SG ILE 94.A O no hydrogen 4.020 N/A LYS 42.A NZ TYR 65.A O no hydrogen 2.597 N/A LYS 42.A NZ ASN 67.A O no hydrogen 3.140 N/A GLN 45.A N LYS 42.A O no hydrogen 2.918 N/A GLN 45.A NE2 ASN 67.A O no hydrogen 3.043 N/A VAL 46.A N LYS 42.A O no hydrogen 3.238 N/A ALA 47.A N ALA 43.A O no hydrogen 2.750 N/A CYS 48.A N CYS 44.A O no hydrogen 3.107 N/A SER 49.A N GLN 45.A O no hydrogen 3.049 N/A SER 49.A OG GLN 45.A O no hydrogen 3.309 N/A GLU 50.A N VAL 46.A O no hydrogen 2.974 N/A TRP 51.A N ALA 47.A O no hydrogen 2.884 N/A TRP 51.A NE1 ASP 164.A OD1 no hydrogen 3.171 N/A ASN 52.A N CYS 48.A O no hydrogen 2.930 N/A ASN 52.A ND2 CYS 48.A O no hydrogen 3.099 N/A ASP 53.A N GLU 50.A O no hydrogen 3.442 N/A ILE 54.A N SER 49.A O no hydrogen 3.224 N/A ARG 55.A NH1 ILE 54.A O no hydrogen 3.014 N/A GLU 57.A N ASP 56.A OD1 no hydrogen 2.805 N/A CYS 61.A SG VAL 64.A O no hydrogen 4.046 N/A ASP 66.A N ASP 66.A OD2 no hydrogen 2.641 N/A ASN 67.A ND2 HIS 60.A O no hydrogen 2.917 N/A LEU 71.A N ASP 70.A OD1 no hydrogen 2.627 N/A SER 72.A N SER 75.A O no hydrogen 3.070 N/A SER 72.A OG ASP 56.A OD2 no hydrogen 2.688 N/A LYS 74.A N SER 72.A OG no hydrogen 3.180 N/A SER 75.A N SER 72.A O no hydrogen 3.178 N/A SER 75.A OG ASP 56.A OD2 no hydrogen 2.726 N/A TRP 76.A NE1 ALA 73.A O no hydrogen 2.747 N/A THR 77.A OG1 ASP 97.A O no hydrogen 2.792 N/A VAL 78.A N ASP 97.A O no hydrogen 3.145 N/A MET 79.A N GLN 45.A OE1 no hydrogen 2.842 N/A ARG 80.A N ARG 95.A O no hydrogen 2.882 N/A ARG 80.A NE ASP 97.A OD2 no hydrogen 2.908 N/A ARG 80.A NH1 ALA 69.A O no hydrogen 3.301 N/A ARG 80.A NH2 ASP 70.A OD1 no hydrogen 2.805 N/A ARG 80.A NH2 ASP 97.A OD2 no hydrogen 3.438 N/A PHE 81.A N ASP 66.A OD1 no hydrogen 2.898 N/A SER 82.A N LEU 93.A O no hydrogen 2.938 N/A SER 82.A OG LEU 235.A O no hydrogen 3.310 N/A THR 84.A N GLU 91.A O no hydrogen 3.044 N/A GLN 86.A N THR 84.A OG1 no hydrogen 3.024 N/A ASN 87.A ND2 GLU 91.A OE1 no hydrogen 2.925 N/A GLY 88.A N GLU 85.A O no hydrogen 3.084 N/A GLU 91.A N THR 84.A O no hydrogen 2.905 N/A LEU 93.A N SER 82.A O no hydrogen 2.757 N/A ARG 95.A N ARG 80.A O no hydrogen 2.955 N/A ARG 95.A NE TYR 236.A O no hydrogen 2.863 N/A ARG 95.A NH1 ASP 97.A OD1 no hydrogen 3.027 N/A ARG 95.A NH1 TYR 225.A OH no hydrogen 3.083 N/A ARG 95.A NH2 TYR 236.A O no hydrogen 2.983 N/A ARG 95.A NH2 HIS 237.A O no hydrogen 3.139 N/A LYS 96.A NZ THR 77.A OG1 no hydrogen 2.692 N/A ASP 97.A N VAL 78.A O no hydrogen 2.916 N/A GLU 103.A N GLY 220.A O no hydrogen 2.950 N/A ASP 104.A N VAL 218.A O no hydrogen 2.917 N/A LYS 109.A N PRO 105.A O no hydrogen 3.057 N/A ALA 110.A N GLY 106.A O no hydrogen 3.000 N/A CYS 111.A N CYS 107.A O no hydrogen 3.005 N/A CYS 111.A SG SER 113.A O no hydrogen 3.514 N/A SER 113.A OG ASN 131.A O no hydrogen 2.773 N/A GLY 115.A N SER 11.A O no hydrogen 3.142 N/A ALA 116.A N SER 113.A O no hydrogen 3.006 N/A ILE 117.A N SER 11.A OG no hydrogen 3.099 N/A ILE 118.A N ASP 126.A O no hydrogen 2.955 N/A GLN 119.A N LYS 9.A O no hydrogen 2.982 N/A GLN 119.A NE2 CYS 102.A O no hydrogen 3.666 N/A GLN 119.A NE2 GLU 103.A O no hydrogen 2.849 N/A TYR 120.A N ILE 124.A O no hydrogen 2.888 N/A ALA 121.A N ASP 6.A O no hydrogen 2.815 N/A GLY 123.A N TYR 120.A O no hydrogen 2.800 N/A ILE 124.A N ASN 122.A OD1 no hydrogen 3.093 N/A VAL 125.A N HIS 101.A ND1 no hydrogen 3.005 N/A ASP 126.A N ILE 118.A O no hydrogen 2.809 N/A PHE 127.A N ASP 126.A OD1 no hydrogen 2.957 N/A GLN 128.A N ALA 116.A O no hydrogen 2.805 N/A GLN 128.A NE2 GLY 115.A O no hydrogen 2.844 N/A ASN 131.A N GLN 128.A O no hydrogen 3.154 N/A CYS 132.A N SER 129.A O no hydrogen 2.943 N/A ILE 139.A N GLY 136.A O no hydrogen 2.956 N/A ALA 140.A N TYR 137.A O no hydrogen 3.126 N/A GLY 141.A N TYR 137.A O no hydrogen 2.975 N/A CYS 142.A N CYS 138.A O no hydrogen 2.990 N/A ARG 148.A NE LEU 71.A O no hydrogen 2.949 N/A ARG 148.A NH1 ASN 145.A O no hydrogen 3.281 N/A ARG 148.A NH1 ASN 145.A OD1 no hydrogen 3.242 N/A ARG 148.A NH1 PRO 147.A O no hydrogen 2.825 N/A ARG 148.A NH2 ASP 70.A OD1 no hydrogen 3.083 N/A ARG 148.A NH2 ASP 70.A OD2 no hydrogen 3.457 N/A ARG 148.A NH2 ASN 145.A O no hydrogen 2.973 N/A ASN 150.A N ARG 155.A O no hydrogen 2.756 N/A ASN 150.A ND2 ASP 153.A OD2 no hydrogen 3.078 N/A GLU 152.A N ASN 150.A OD1 no hydrogen 3.199 N/A ASP 153.A N ASN 150.A O no hydrogen 3.188 N/A ASN 154.A N ASN 150.A O no hydrogen 2.861 N/A ARG 155.A N ASP 153.A OD1 no hydrogen 3.141 N/A ARG 155.A NE SER 129.A O no hydrogen 3.054 N/A TYR 157.A N ARG 148.A O no hydrogen 2.909 N/A TYR 157.A OH ASP 153.A OD2 no hydrogen 2.591 N/A LYS 158.A NZ VAL 125.A O no hydrogen 2.770 N/A LYS 158.A NZ CYS 159.A O no hydrogen 2.831 N/A CYS 159.A SG HIS 101.A NE2 no hydrogen 3.446 N/A VAL 163.A N THR 160.A O no hydrogen 3.193 N/A ARG 165.A N CYS 162.A O no hydrogen 2.803 N/A ARG 165.A NE GLU 171.A O no hydrogen 2.932 N/A ARG 165.A NH2 GLU 171.A O no hydrogen 3.497 N/A VAL 166.A N CYS 162.A O no hydrogen 2.901 N/A SER 167.A N VAL 163.A O no hydrogen 3.050 N/A SER 167.A OG VAL 163.A O no hydrogen 2.667 N/A VAL 168.A N ARG 165.A O no hydrogen 3.053 N/A GLY 169.A N VAL 166.A O no hydrogen 3.113 N/A GLN 170.A N ARG 165.A O no hydrogen 3.087 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.885 N/A LYS 176.A N PRO 172.A O no hydrogen 3.197 N/A THR 177.A N ALA 173.A O no hydrogen 3.131 N/A CYS 178.A N CYS 174.A O no hydrogen 3.230 N/A THR 180.A OG1 THR 37.A O no hydrogen 3.021 N/A GLY 181.A N CYS 178.A O no hydrogen 3.316 N/A HIS 184.A N LEU 32.A O no hydrogen 2.828 N/A GLY 186.A N ALA 30.A O no hydrogen 3.229 N/A LYS 188.A N GLU 28.A O no hydrogen 2.706 N/A LYS 188.A NZ ASN 214.A OD1 no hydrogen 2.949 N/A LYS 188.A NZ THR 221.A O no hydrogen 2.822 N/A GLU 190.A N THR 187.A OG1 no hydrogen 3.310 N/A MET 191.A N THR 187.A O no hydrogen 2.873 N/A LEU 192.A N LYS 188.A O no hydrogen 2.914 N/A GLU 193.A N LYS 189.A O no hydrogen 3.349 N/A LEU 194.A N GLU 190.A O no hydrogen 3.001 N/A ALA 195.A N MET 191.A O no hydrogen 2.871 N/A GLU 196.A N LEU 192.A O no hydrogen 3.022 N/A GLN 197.A N GLU 193.A O no hydrogen 3.019 N/A GLN 197.A NE2 GLU 193.A OE2 no hydrogen 3.216 N/A ARG 198.A N LEU 194.A O no hydrogen 2.974 N/A ARG 198.A NE ASP 34.A OD2 no hydrogen 2.841 N/A ARG 198.A NH2 SER 36.A OG no hydrogen 2.802 N/A VAL 199.A N ALA 195.A O no hydrogen 2.876 N/A ALA 200.A N GLU 196.A O no hydrogen 3.091 N/A LYS 201.A N GLN 197.A O no hydrogen 3.148 N/A LEU 202.A N ARG 198.A O no hydrogen 2.918 N/A LYS 203.A N VAL 199.A O no hydrogen 2.738 N/A LYS 203.A NZ GLU 208.A O no hydrogen 3.162 N/A LYS 203.A NZ ALA 210.A O no hydrogen 3.144 N/A ALA 204.A N ALA 200.A O no hydrogen 3.050 N/A ARG 205.A N LEU 202.A O no hydrogen 2.911 N/A GLY 206.A N LYS 203.A O no hydrogen 2.746 N/A TYR 207.A N LEU 202.A O no hydrogen 3.064 N/A ALA 210.A N TYR 207.A O no hydrogen 3.082 N/A GLY 211.A N LEU 227.A O no hydrogen 3.062 N/A TYR 213.A N TYR 225.A O no hydrogen 2.844 N/A TYR 213.A OH PRO 240.A O no hydrogen 2.553 N/A VAL 218.A N PRO 215.A O no hydrogen 3.394 N/A GLY 219.A N GLU 216.A O no hydrogen 3.052 N/A GLY 220.A N PRO 215.A O no hydrogen 2.735 N/A THR 221.A N ASN 214.A OD1 no hydrogen 2.916 N/A THR 221.A OG1 VAL 223.A O no hydrogen 2.886 N/A HIS 222.A N MET 100.A O no hydrogen 3.081 N/A HIS 222.A N HIS 101.A O no hydrogen 3.066 N/A HIS 222.A ND1 VAL 29.A O no hydrogen 3.130 N/A HIS 222.A NE2 GLU 103.A OE1 no hydrogen 3.172 N/A VAL 223.A N MET 100.A O no hydrogen 3.134 N/A MET 224.A N LYS 31.A O no hydrogen 3.021 N/A TYR 225.A N TYR 213.A O no hydrogen 3.077 N/A TYR 225.A OH LYS 96.A O no hydrogen 2.625 N/A VAL 226.A N ILE 33.A O no hydrogen 2.926 N/A LEU 227.A N GLY 211.A O no hydrogen 2.986 N/A HIS 228.A ND1 TYR 236.A OH no hydrogen 2.764 N/A HIS 229.A N TYR 236.A OH no hydrogen 2.923 N/A HIS 229.A NE2 GLU 91.A OE2 no hydrogen 2.739 N/A ALA 230.A N HIS 209.A O no hydrogen 2.922 N/A GLN 232.A N HIS 229.A O no hydrogen 3.037 N/A GLN 232.A NE2 ASN 87.A OD1 no hydrogen 3.224 N/A GLN 232.A NE2 ASP 231.A OD1 no hydrogen 3.546 N/A GLN 232.A NE2 ASP 231.A OD2 no hydrogen 3.279 N/A LEU 235.A N GLN 232.A O no hydrogen 2.996 N/A TYR 236.A N PRO 233.A O no hydrogen 3.018 N/A TYR 236.A OH HIS 228.A ND1 no hydrogen 2.764 N/A HIS 237.A ND1 PHE 81.A O no hydrogen 3.349 N/A GLY 238.A N GLU 234.A O no hydrogen 3.030 N/A LEU 239.A N TYR 236.A O no hydrogen 3.309 N/A LYS 241.A NZ ASP 231.A O no hydrogen 2.926 N/A LYS 244.A NZ ASP 242.A O no hydrogen 3.288 N/A SER 248.A N ASP 246.A OD2 no hydrogen 2.564 N/A SER 248.A OG ASP 246.A OD2 no hydrogen 2.384 N/A VAL 249.A N ASP 246.A OD2 no hydrogen 3.345 N/A SER 250.A N ASP 246.A O no hydrogen 2.919 N/A SER 250.A OG ASP 246.A O no hydrogen 3.282 N/A LEU 251.A N THR 247.A O no hydrogen 3.026 N/A TRP 252.A N SER 248.A O no hydrogen 2.931 N/A LYS 253.A N VAL 249.A O no hydrogen 2.948 N/A LYS 253.A NZ ALA 110.A O no hydrogen 2.840 N/A LEU 256.A N LEU 251.A O no hydrogen 3.258 N/A LYS 257.A N GLY 254.A O no hydrogen 3.227 N/A LEU 259.A N ALA 255.A O no hydrogen 3.192 N/A ALA 260.A N LEU 256.A O no hydrogen 2.898 N/A ALA 261.A N LYS 257.A O no hydrogen 2.883 N/A ALA 262.A N PRO 258.A O no hydrogen 2.709 N/A GLY 263.A N LEU 259.A O no hydrogen 2.996 N/A PHE 264.A N ALA 260.A O no hydrogen 2.883 N/A ILE 265.A N ALA 261.A O no hydrogen 2.833 N/A ALA 266.A N ALA 262.A O no hydrogen 2.744 N/A THR 267.A N GLY 263.A O no hydrogen 2.643 N/A THR 267.A OG1 GLY 263.A O no hydrogen 3.110 N/A PHE 268.A N PHE 264.A O no hydrogen 2.969 N/A ALA 269.A N ILE 265.A O no hydrogen 2.916 N/A GLY 270.A N ALA 266.A O no hydrogen 2.809 N/A LEU 271.A N THR 267.A O no hydrogen 2.906 N/A ILE 272.A N PHE 268.A O no hydrogen 3.005 N/A PHE 273.A N ALA 269.A O no hydrogen 2.675 N/A HIS 274.A N GLY 270.A O no hydrogen 2.764 N/A TYR 275.A N LEU 271.A O no hydrogen 3.031 N/A ILE 276.A N ILE 272.A O no hydrogen 3.197 N/A GLY 277.A N PHE 273.A O no hydrogen 2.813 N/A ILE 278.A N HIS 274.A O no hydrogen 3.091 N/A GLY 279.A N TYR 275.A O no hydrogen 2.711 N/A GLU 289.A N ASP 286.A O no hydrogen 3.085 N/A