Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jrq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N VAL 267.A O no hydrogen 2.944 N/A THR 8.A N VAL 265.A O no hydrogen 3.006 N/A THR 8.A OG1 GLU 248.A OE2 no hydrogen 3.238 N/A SER 9.A OG SER 264.A OG no hydrogen 2.940 N/A ILE 10.A N ILE 263.A O no hydrogen 2.966 N/A CYS 11.A SG GLY 12.A O no hydrogen 3.625 N/A CYS 11.A SG ARG 14.A O no hydrogen 2.649 N/A ARG 14.A N LYS 260.A O no hydrogen 2.679 N/A ARG 14.A NH2 ASP 261.A OD1 no hydrogen 3.015 N/A MET 17.A N GLU 16.A OE2 no hydrogen 2.968 N/A GLU 18.A N ASN 262.A OD1 no hydrogen 2.725 N/A ALA 20.A N TYR 44.A O no hydrogen 2.798 N/A SER 22.A N GLY 42.A O no hydrogen 2.795 N/A SER 22.A OG ARG 57.A O no hydrogen 3.307 N/A THR 23.A OG1 TYR 5.A OH no hydrogen 3.149 N/A ILE 24.A N PHE 40.A O no hydrogen 2.785 N/A ARG 26.A NE SER 1.A O no hydrogen 3.402 N/A PHE 27.A N ALA 38.A O no hydrogen 3.175 N/A GLN 29.A NE2 SER 36.A OG no hydrogen 3.130 N/A GLN 35.A N ASP 33.A OD2 no hydrogen 3.398 N/A GLN 35.A NE2 ASP 33.A OD2 no hydrogen 3.315 N/A GLN 35.A NE2 PRO 73.A O no hydrogen 2.989 N/A SER 36.A N ASP 33.A O no hydrogen 3.170 N/A SER 36.A OG ASP 33.A O no hydrogen 2.944 N/A ALA 37.A N PRO 34.A O no hydrogen 3.358 N/A ALA 38.A N GLN 35.A O no hydrogen 2.786 N/A HIS 39.A N VAL 117.A O no hydrogen 2.959 N/A PHE 40.A N ILE 24.A O no hydrogen 2.913 N/A PHE 41.A N ALA 115.A O no hydrogen 2.785 N/A GLY 42.A N SER 22.A O no hydrogen 2.874 N/A VAL 43.A N VAL 113.A O no hydrogen 2.905 N/A TYR 44.A N ALA 20.A O no hydrogen 2.838 N/A ASP 45.A N THR 111.A OG1 no hydrogen 2.955 N/A GLY 46.A N GLU 18.A O no hydrogen 2.622 N/A HIS 47.A N GLY 109.A O no hydrogen 2.731 N/A HIS 47.A NE2 ASP 185.A OD2 no hydrogen 2.360 N/A GLN 51.A N GLN 51.A OE1 no hydrogen 2.837 N/A ASN 54.A N SER 50.A O no hydrogen 2.928 N/A TYR 55.A N GLN 51.A O no hydrogen 3.033 N/A TYR 55.A OH GLU 99.A OE2 no hydrogen 2.697 N/A CYS 56.A N VAL 52.A O no hydrogen 2.905 N/A CYS 56.A SG VAL 52.A O no hydrogen 3.423 N/A ARG 57.A N ALA 53.A O no hydrogen 3.001 N/A GLU 58.A N ASN 54.A O no hydrogen 3.170 N/A ARG 59.A N TYR 55.A O no hydrogen 2.582 N/A ARG 59.A NE GLU 99.A OE1 no hydrogen 3.034 N/A ARG 59.A NE GLU 99.A OE2 no hydrogen 2.674 N/A ARG 59.A NH2 GLU 66.A OE1 no hydrogen 2.676 N/A ARG 59.A NH2 GLU 99.A OE1 no hydrogen 2.821 N/A MET 60.A N CYS 56.A O no hydrogen 2.869 N/A LEU 62.A N ARG 59.A O no hydrogen 2.927 N/A ALA 63.A N ARG 59.A O no hydrogen 2.834 N/A LEU 64.A N MET 60.A O no hydrogen 2.876 N/A ALA 65.A N HIS 61.A O no hydrogen 3.177 N/A GLU 66.A N LEU 62.A O no hydrogen 3.190 N/A GLU 66.A N ALA 63.A O no hydrogen 3.160 N/A GLU 67.A N ALA 63.A O no hydrogen 3.006 N/A ILE 68.A N LEU 64.A O no hydrogen 2.766 N/A ALA 69.A N ALA 65.A O no hydrogen 3.116 N/A LYS 70.A N GLU 67.A O no hydrogen 2.768 N/A LYS 70.A NZ GLU 67.A OE1 no hydrogen 3.441 N/A GLU 71.A N GLU 67.A O no hydrogen 3.084 N/A ASP 77.A N MET 74.A O no hydrogen 2.968 N/A GLY 78.A N LEU 75.A O no hydrogen 3.208 N/A THR 80.A OG1 ASP 77.A O no hydrogen 3.379 N/A TRP 81.A N GLY 78.A O no hydrogen 2.615 N/A TRP 81.A NE1 GLN 35.A OE1 no hydrogen 2.964 N/A GLU 83.A N ASP 79.A O no hydrogen 3.207 N/A LYS 84.A N THR 80.A O no hydrogen 2.722 N/A LYS 84.A NZ GLU 71.A O no hydrogen 3.197 N/A TRP 85.A N TRP 81.A O no hydrogen 3.134 N/A TRP 85.A NE1 GLN 35.A OE1 no hydrogen 2.613 N/A LYS 86.A N LEU 82.A O no hydrogen 3.054 N/A LYS 87.A N GLU 83.A O no hydrogen 3.044 N/A ALA 88.A N LYS 84.A O no hydrogen 2.924 N/A LEU 89.A N TRP 85.A O no hydrogen 2.927 N/A PHE 90.A N LYS 86.A O no hydrogen 2.930 N/A ASN 91.A N LYS 87.A O no hydrogen 2.866 N/A SER 92.A N ALA 88.A O no hydrogen 3.021 N/A SER 92.A OG ALA 88.A O no hydrogen 2.486 N/A PHE 93.A N LEU 89.A O no hydrogen 3.230 N/A LEU 94.A N PHE 90.A O no hydrogen 3.389 N/A ARG 95.A N ASN 91.A O no hydrogen 2.841 N/A VAL 96.A N SER 92.A O no hydrogen 3.032 N/A ASP 97.A N PHE 93.A O no hydrogen 2.854 N/A SER 98.A N LEU 94.A O no hydrogen 3.017 N/A SER 98.A OG ARG 95.A O no hydrogen 3.041 N/A GLU 99.A N ARG 95.A O no hydrogen 2.942 N/A ILE 100.A N VAL 96.A O no hydrogen 2.972 N/A ILE 100.A N ASP 97.A O no hydrogen 3.276 N/A SER 102.A N GLU 99.A O no hydrogen 3.205 N/A VAL 103.A N ILE 100.A O no hydrogen 2.969 N/A ALA 104.A N ILE 100.A O no hydrogen 3.179 N/A VAL 108.A N PRO 105.A O no hydrogen 3.218 N/A GLY 109.A N HIS 47.A O no hydrogen 2.921 N/A SER 110.A N ILE 183.A O no hydrogen 2.849 N/A SER 110.A OG THR 111.A O no hydrogen 2.754 N/A THR 111.A N ASP 45.A O no hydrogen 3.174 N/A THR 111.A OG1 SER 130.A OG no hydrogen 2.871 N/A SER 112.A N CYS 127.A O no hydrogen 2.814 N/A VAL 113.A N VAL 43.A O no hydrogen 2.976 N/A VAL 114.A N ALA 125.A O no hydrogen 2.930 N/A ALA 115.A N PHE 41.A O no hydrogen 2.718 N/A VAL 116.A N PHE 123.A O no hydrogen 2.938 N/A VAL 117.A N HIS 39.A O no hydrogen 2.878 N/A PHE 118.A N HIS 121.A O no hydrogen 2.760 N/A SER 120.A OG HIS 121.A ND1 no hydrogen 2.803 N/A HIS 121.A ND1 SER 120.A OG no hydrogen 2.803 N/A ILE 122.A N VAL 201.A O no hydrogen 3.012 N/A PHE 123.A N VAL 116.A O no hydrogen 2.847 N/A VAL 124.A N THR 199.A O no hydrogen 2.721 N/A ALA 125.A N VAL 114.A O no hydrogen 2.938 N/A ASN 126.A N GLU 197.A O no hydrogen 2.771 N/A ASN 126.A ND2 SER 130.A O no hydrogen 3.202 N/A CYS 127.A N SER 112.A O no hydrogen 2.917 N/A CYS 127.A SG PRO 194.A O no hydrogen 3.132 N/A GLY 128.A N HIS 147.A ND1 no hydrogen 3.056 N/A SER 130.A OG THR 111.A OG1 no hydrogen 2.871 N/A ARG 131.A N ALA 213.A O no hydrogen 2.853 N/A ARG 131.A NE ASP 146.A OD1 no hydrogen 3.010 N/A ARG 131.A NH1 ASP 223.A OD1 no hydrogen 3.098 N/A ARG 131.A NH2 ASP 146.A OD1 no hydrogen 3.502 N/A ARG 131.A NH2 ASP 146.A OD2 no hydrogen 2.820 N/A ALA 132.A N SER 144.A OG no hydrogen 3.080 N/A VAL 133.A N ILE 211.A O no hydrogen 2.817 N/A LEU 134.A N LEU 141.A O no hydrogen 2.803 N/A CYS 135.A N CYS 209.A O no hydrogen 2.919 N/A CYS 135.A SG THR 139.A O no hydrogen 3.952 N/A CYS 135.A SG ASP 208.A OD2 no hydrogen 3.317 N/A ARG 136.A N THR 139.A O no hydrogen 3.157 N/A ARG 136.A NE ASP 207.A OD1 no hydrogen 3.070 N/A ARG 136.A NH1 LYS 202.A O no hydrogen 3.304 N/A ARG 136.A NH1 ASP 207.A OD1 no hydrogen 3.088 N/A GLY 137.A N ASP 208.A OD2 no hydrogen 3.061 N/A THR 139.A N ARG 136.A O no hydrogen 3.105 N/A THR 139.A OG1 ALA 140.A O no hydrogen 3.372 N/A LEU 141.A N LEU 134.A O no hydrogen 2.555 N/A LEU 143.A N ALA 132.A O no hydrogen 2.898 N/A HIS 147.A N GLY 128.A O no hydrogen 2.878 N/A HIS 147.A NE2 GLU 197.A OE1 no hydrogen 2.830 N/A LYS 148.A NZ ASP 129.A OD2 no hydrogen 2.916 N/A LYS 148.A NZ ALA 178.A O no hydrogen 3.104 N/A ARG 151.A N LYS 148.A O no hydrogen 2.808 N/A ARG 151.A NE ASP 153.A OD2 no hydrogen 2.931 N/A ARG 151.A NH1 ASP 146.A O no hydrogen 3.165 N/A ARG 151.A NH1 GLU 197.A OE1 no hydrogen 3.151 N/A ARG 151.A NH2 ASP 153.A OD1 no hydrogen 3.390 N/A ARG 151.A NH2 GLU 197.A OE1 no hydrogen 3.050 N/A ARG 151.A NH2 GLU 197.A OE2 no hydrogen 2.564 N/A GLU 154.A N ASP 153.A OD2 no hydrogen 3.162 N/A ALA 155.A N ARG 151.A O no hydrogen 2.895 N/A ALA 156.A N GLU 152.A O no hydrogen 3.164 N/A ARG 157.A N ASP 153.A O no hydrogen 2.714 N/A ARG 157.A NE GLU 154.A OE1 no hydrogen 3.320 N/A ARG 157.A NE GLU 154.A OE2 no hydrogen 3.066 N/A ARG 157.A NH1 SER 191.A O no hydrogen 2.993 N/A ARG 157.A NH2 GLU 154.A OE1 no hydrogen 3.004 N/A ARG 157.A NH2 SER 191.A O no hydrogen 3.179 N/A ILE 158.A N GLU 154.A O no hydrogen 2.776 N/A GLU 159.A N ALA 155.A O no hydrogen 3.142 N/A ALA 160.A N ALA 156.A O no hydrogen 3.025 N/A ALA 161.A N ARG 157.A O no hydrogen 3.034 N/A ALA 161.A N ILE 158.A O no hydrogen 3.243 N/A GLY 162.A N GLU 159.A O no hydrogen 3.221 N/A GLY 163.A N ILE 158.A O no hydrogen 3.057 N/A ILE 166.A N ARG 172.A O no hydrogen 2.986 N/A TRP 168.A N GLY 170.A O no hydrogen 2.727 N/A ARG 172.A N ILE 166.A O no hydrogen 2.789 N/A ARG 172.A NE TRP 168.A O no hydrogen 2.988 N/A ARG 172.A NE ASN 169.A O no hydrogen 2.992 N/A ARG 172.A NH1 VAL 176.A O no hydrogen 2.986 N/A ARG 172.A NH2 ASN 169.A O no hydrogen 3.072 N/A VAL 173.A N LEU 177.A O no hydrogen 2.763 N/A PHE 174.A N LYS 164.A O no hydrogen 2.970 N/A GLY 175.A N ARG 172.A O no hydrogen 3.322 N/A VAL 176.A N VAL 173.A O no hydrogen 3.182 N/A LEU 177.A N VAL 173.A O no hydrogen 3.374 N/A SER 180.A N HIS 147.A O no hydrogen 3.027 N/A SER 180.A OG GLU 154.A OE1 no hydrogen 2.740 N/A ARG 181.A NE GLU 154.A OE1 no hydrogen 3.110 N/A ARG 181.A NH1 ASP 195.A O no hydrogen 2.550 N/A ARG 181.A NH2 GLU 154.A OE2 no hydrogen 3.424 N/A SER 182.A N ILE 193.A O no hydrogen 3.010 N/A SER 182.A OG ILE 183.A O no hydrogen 3.426 N/A SER 182.A OG ASP 185.A OD2 no hydrogen 2.690 N/A ILE 183.A N SER 110.A O no hydrogen 2.847 N/A GLY 184.A N ASP 97.A OD1 no hydrogen 2.962 N/A ASP 185.A N VAL 108.A O no hydrogen 3.074 N/A ARG 186.A NH1 ALA 104.A O no hydrogen 3.165 N/A ARG 186.A NH2 ALA 104.A O no hydrogen 3.141 N/A LEU 188.A N ASP 185.A O no hydrogen 3.114 N/A LYS 189.A N ARG 186.A O no hydrogen 3.173 N/A LYS 189.A NZ ASP 97.A OD1 no hydrogen 3.046 N/A LYS 189.A NZ ASP 97.A OD2 no hydrogen 3.389 N/A LYS 189.A NZ GLU 101.A OE2 no hydrogen 3.110 N/A LYS 189.A NZ GLY 184.A O no hydrogen 3.154 N/A ILE 192.A N LEU 188.A O no hydrogen 3.053 N/A GLU 197.A N ASN 126.A O no hydrogen 2.733 N/A THR 199.A N VAL 124.A O no hydrogen 2.851 N/A THR 199.A OG1 LEU 143.A O no hydrogen 3.200 N/A VAL 201.A N ILE 122.A O no hydrogen 3.058 N/A ARG 203.A N SER 120.A O no hydrogen 2.692 N/A ARG 203.A NH1 PHE 118.A O no hydrogen 2.967 N/A ARG 203.A NH2 LEU 270.A O no hydrogen 2.656 N/A VAL 204.A N ASP 207.A OD2 no hydrogen 2.756 N/A ASP 207.A N VAL 204.A O no hydrogen 2.810 N/A ASP 208.A N CYS 135.A O no hydrogen 2.746 N/A CYS 209.A N CYS 135.A O no hydrogen 3.424 N/A LEU 210.A N VAL 268.A O no hydrogen 2.893 N/A ILE 211.A N VAL 133.A O no hydrogen 2.857 N/A LEU 212.A N VAL 266.A O no hydrogen 2.885 N/A ALA 213.A N ARG 131.A O no hydrogen 3.024 N/A SER 214.A N SER 264.A O no hydrogen 2.924 N/A SER 214.A OG ASP 19.A OD2 no hydrogen 3.435 N/A SER 214.A OG ASN 262.A O no hydrogen 3.285 N/A SER 214.A OG SER 264.A O no hydrogen 3.463 N/A VAL 217.A N SER 214.A O no hydrogen 3.007 N/A TRP 218.A NE1 ALA 213.A O no hydrogen 2.676 N/A ASP 219.A N ASP 215.A O no hydrogen 2.950 N/A VAL 220.A N VAL 217.A O no hydrogen 3.074 N/A MET 221.A N VAL 217.A O no hydrogen 3.008 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.649 N/A ALA 226.A N THR 222.A O no hydrogen 3.284 N/A CYS 227.A N ASP 223.A O no hydrogen 3.036 N/A CYS 227.A SG ASP 223.A O no hydrogen 3.244 N/A GLU 228.A N GLU 224.A O no hydrogen 2.737 N/A MET 229.A N GLU 225.A O no hydrogen 2.993 N/A ALA 230.A N ALA 226.A O no hydrogen 2.734 N/A ARG 231.A N CYS 227.A O no hydrogen 2.781 N/A LYS 232.A N GLU 228.A O no hydrogen 2.763 N/A ARG 233.A N MET 229.A O no hydrogen 2.745 N/A ILE 234.A N ALA 230.A O no hydrogen 3.133 N/A LEU 235.A N ARG 231.A O no hydrogen 3.194 N/A LEU 236.A N LYS 232.A O no hydrogen 2.860 N/A TRP 237.A N ARG 233.A O no hydrogen 2.658 N/A TRP 237.A N ILE 234.A O no hydrogen 3.153 N/A ASP 240.A N TYR 5.A O no hydrogen 2.671 N/A ALA 243.A N ASP 240.A OD1 no hydrogen 3.102 N/A MET 244.A N ASP 240.A O no hydrogen 2.783 N/A SER 245.A N PRO 241.A O no hydrogen 2.744 N/A ALA 246.A N ALA 242.A O no hydrogen 3.090 N/A ALA 247.A N ALA 243.A O no hydrogen 2.983 N/A GLU 248.A N MET 244.A O no hydrogen 2.977 N/A TYR 249.A N SER 245.A O no hydrogen 2.901 N/A LEU 250.A N ALA 246.A O no hydrogen 3.095 N/A SER 251.A N ALA 247.A O no hydrogen 3.171 N/A SER 251.A OG GLU 248.A O no hydrogen 2.987 N/A SER 251.A OG GLU 248.A OE2 no hydrogen 3.408 N/A LYS 252.A N GLU 248.A O no hydrogen 2.968 N/A LEU 253.A N TYR 249.A O no hydrogen 2.894 N/A ALA 254.A N LEU 250.A O no hydrogen 3.125 N/A ILE 255.A N SER 251.A O no hydrogen 2.788 N/A GLN 256.A N LYS 252.A O no hydrogen 2.711 N/A ARG 257.A N LEU 253.A O no hydrogen 2.876 N/A ARG 257.A NH1 VAL 220.A O no hydrogen 2.963 N/A ARG 257.A NH1 GLU 225.A OE1 no hydrogen 3.345 N/A GLY 258.A N ILE 255.A O no hydrogen 2.741 N/A SER 259.A N ALA 254.A O no hydrogen 3.020 N/A SER 259.A OG GLY 216.A O no hydrogen 2.656 N/A ASN 262.A ND2 CYS 11.A O no hydrogen 3.238 N/A ASN 262.A ND2 GLU 16.A O no hydrogen 3.011 N/A ILE 263.A N ILE 10.A O no hydrogen 2.868 N/A SER 264.A N SER 214.A OG no hydrogen 3.134 N/A SER 264.A OG SER 9.A OG no hydrogen 2.940 N/A SER 264.A OG ASP 19.A OD2 no hydrogen 2.668 N/A VAL 265.A N THR 8.A O no hydrogen 3.113 N/A VAL 266.A N LEU 212.A O no hydrogen 2.682 N/A VAL 267.A N GLY 6.A O no hydrogen 2.856 N/A VAL 268.A N LEU 210.A O no hydrogen 2.893 N/A ASP 269.A N LEU 4.A O no hydrogen 2.962 N/A LEU 270.A N ASP 208.A O no hydrogen 2.738 N/A LYS 271.A NZ LYS 205.A O no hydrogen 3.280 N/A