Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q6f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N GLN 293.A OE1 no hydrogen 2.791 N/A LYS 5.A NZ GLU 282.A OE2 no hydrogen 2.958 N/A SER 8.A N THR 111.A OG1 no hydrogen 2.891 N/A SER 10.A OG GLU 14.A OE1 no hydrogen 2.740 N/A GLU 14.A N SER 10.A O no hydrogen 2.939 N/A LYS 15.A NZ SER 11.A O no hydrogen 3.398 N/A CYS 16.A N VAL 13.A O no hydrogen 2.879 N/A CYS 16.A SG ALA 12.A O no hydrogen 3.681 N/A ILE 17.A N GLU 14.A O no hydrogen 3.446 N/A VAL 18.A N GLY 29.A O no hydrogen 3.073 N/A SER 19.A N VAL 66.A O no hydrogen 2.864 N/A VAL 20.A N LEU 27.A O no hydrogen 2.913 N/A SER 21.A N GLU 64.A O no hydrogen 2.913 N/A TYR 22.A N ASN 25.A O no hydrogen 2.799 N/A TYR 22.A OH GLU 62.A OE2 no hydrogen 3.181 N/A ARG 23.A NE GLU 62.A OE1 no hydrogen 2.943 N/A ARG 23.A NH2 GLU 62.A OE1 no hydrogen 3.493 N/A ASN 25.A N TYR 22.A O no hydrogen 2.773 N/A ASN 25.A ND2 TYR 22.A O no hydrogen 3.039 N/A ASN 25.A ND2 VAL 42.A O no hydrogen 3.170 N/A LEU 27.A N VAL 20.A O no hydrogen 2.829 N/A ASN 28.A N CYS 143.A O no hydrogen 3.069 N/A ASN 28.A ND2 SER 115.A O no hydrogen 2.887 N/A ASN 28.A ND2 GLY 141.A O no hydrogen 3.194 N/A ASN 28.A ND2 CYS 143.A O no hydrogen 3.049 N/A GLY 29.A N VAL 18.A O no hydrogen 2.679 N/A LEU 30.A N TYR 37.A O no hydrogen 2.707 N/A TRP 31.A N CYS 16.A O no hydrogen 2.647 N/A LEU 32.A N SER 35.A O no hydrogen 2.975 N/A GLY 33.A N THR 96.A OG1 no hydrogen 2.776 N/A SER 35.A N LEU 32.A O no hydrogen 2.893 N/A SER 35.A OG ASP 34.A OD2 no hydrogen 3.540 N/A ILE 36.A N LEU 87.A O no hydrogen 2.801 N/A TYR 37.A N LEU 30.A O no hydrogen 2.782 N/A CYS 38.A N LEU 85.A O no hydrogen 3.108 N/A CYS 38.A SG PRO 39.A O no hydrogen 3.677 N/A ARG 40.A N ALA 83.A O no hydrogen 3.002 N/A ARG 40.A NE ASP 185.A OD1 no hydrogen 3.404 N/A ARG 40.A NE ASP 185.A OD2 no hydrogen 2.660 N/A ARG 40.A NH2 ASP 185.A OD1 no hydrogen 2.955 N/A VAL 42.A N PRO 39.A O no hydrogen 3.207 N/A LEU 43.A N ARG 40.A O no hydrogen 2.913 N/A GLY 44.A N HIS 41.A O no hydrogen 2.996 N/A LYS 45.A NZ GLU 187.A OE1 no hydrogen 2.692 N/A LYS 45.A NZ GLU 187.A OE2 no hydrogen 3.510 N/A SER 47.A N GLN 50.A OE1 no hydrogen 3.051 N/A SER 47.A OG GLN 50.A OE1 no hydrogen 3.485 N/A GLN 50.A N SER 47.A O no hydrogen 3.015 N/A VAL 54.A N GLN 50.A O no hydrogen 2.879 N/A LEU 55.A N TRP 51.A O no hydrogen 2.958 N/A ASN 56.A N GLY 52.A O no hydrogen 2.978 N/A LEU 57.A N ASP 53.A O no hydrogen 3.131 N/A ALA 58.A N LEU 55.A O no hydrogen 3.180 N/A ASN 59.A N GLU 62.A OE2 no hydrogen 2.831 N/A GLU 62.A N ASN 59.A O no hydrogen 3.011 N/A PHE 63.A N ASN 60.A O no hydrogen 3.250 N/A GLU 64.A N SER 21.A O no hydrogen 2.814 N/A VAL 66.A N SER 19.A O no hydrogen 2.909 N/A THR 67.A N VAL 71.A O no hydrogen 2.898 N/A THR 67.A OG1 VAL 71.A O no hydrogen 3.467 N/A GLN 68.A NE2 GLU 14.A O no hydrogen 2.639 N/A GLN 68.A NE2 ILE 17.A O no hydrogen 2.961 N/A ASN 69.A N THR 67.A OG1 no hydrogen 3.228 N/A GLY 70.A N THR 67.A O no hydrogen 3.064 N/A VAL 71.A N THR 67.A OG1 no hydrogen 3.059 N/A LEU 73.A N VAL 65.A O no hydrogen 2.737 N/A VAL 76.A N GLN 88.A O no hydrogen 2.805 N/A ARG 78.A NE ASN 60.A OD1 no hydrogen 2.457 N/A ARG 78.A NH1 LEU 55.A O no hydrogen 3.136 N/A ARG 78.A NH2 ASN 60.A OD1 no hydrogen 3.268 N/A ARG 79.A N ILE 86.A O no hydrogen 3.135 N/A LYS 81.A N VAL 84.A O no hydrogen 2.932 N/A ALA 83.A N GLY 177.A O no hydrogen 2.727 N/A VAL 84.A N LYS 81.A O no hydrogen 3.052 N/A LEU 85.A N CYS 38.A O no hydrogen 2.752 N/A ILE 86.A N ARG 79.A O no hydrogen 2.912 N/A LEU 87.A N ILE 36.A O no hydrogen 2.888 N/A GLN 88.A N SER 77.A O no hydrogen 2.951 N/A GLN 88.A NE2 SER 77.A OG no hydrogen 3.047 N/A THR 89.A N ASP 34.A O no hydrogen 2.910 N/A THR 89.A OG1 ASP 34.A O no hydrogen 3.556 N/A THR 89.A OG1 VAL 91.A O no hydrogen 2.552 N/A ASN 93.A N GLY 33.A O no hydrogen 2.835 N/A ASN 93.A ND2 LYS 15.A O no hydrogen 3.422 N/A ASN 93.A ND2 TRP 31.A O no hydrogen 2.856 N/A GLU 95.A N ASN 93.A OD1 no hydrogen 2.803 N/A THR 96.A OG1 ASN 93.A O no hydrogen 2.841 N/A LYS 100.A N VAL 155.A O no hydrogen 2.932 N/A VAL 102.A N PHE 157.A O no hydrogen 2.962 N/A LYS 103.A NZ GLU 178.A OE1 no hydrogen 2.940 N/A ALA 104.A N TYR 180.A OH no hydrogen 2.822 N/A ASN 105.A N ASP 108.A OD2 no hydrogen 2.770 N/A GLY 107.A N MET 128.A O no hydrogen 2.796 N/A ASP 108.A N ASN 105.A O no hydrogen 2.884 N/A SER 109.A OG VAL 126.A O no hydrogen 3.131 N/A PHE 110.A N VAL 126.A O no hydrogen 2.909 N/A THR 111.A N PHE 148.A O no hydrogen 2.636 N/A ILE 112.A N TYR 124.A O no hydrogen 2.892 N/A ALA 113.A N VAL 146.A O no hydrogen 2.818 N/A CYS 114.A N GLY 122.A O no hydrogen 2.978 N/A CYS 114.A SG SER 137.A O no hydrogen 3.558 N/A SER 115.A N SER 145.A OG no hydrogen 2.862 N/A SER 115.A OG ALA 113.A O no hydrogen 2.853 N/A TYR 116.A N THR 119.A O no hydrogen 2.961 N/A GLY 118.A N ASN 28.A OD1 no hydrogen 2.689 N/A THR 119.A N TYR 116.A O no hydrogen 3.009 N/A ILE 121.A N CYS 114.A O no hydrogen 2.909 N/A TYR 124.A N ILE 112.A O no hydrogen 3.337 N/A TYR 124.A OH SER 137.A O no hydrogen 2.885 N/A VAL 126.A N PHE 110.A O no hydrogen 2.934 N/A MET 128.A N ASP 108.A O no hydrogen 2.925 N/A ARG 129.A N THR 133.A O no hydrogen 2.893 N/A ARG 129.A NE ASP 195.A OD1 no hydrogen 3.078 N/A ARG 129.A NE ASP 195.A OD2 no hydrogen 3.049 N/A ARG 129.A NH1 GLU 284.A OE2 no hydrogen 2.866 N/A ARG 129.A NH2 ASP 195.A OD1 no hydrogen 2.962 N/A ARG 129.A NH2 ASP 283.A OD2 no hydrogen 2.768 N/A ASN 131.A ND2 PRO 193.A O no hydrogen 2.998 N/A GLY 132.A N ARG 129.A O no hydrogen 3.054 N/A THR 133.A N ASN 131.A OD1 no hydrogen 3.292 N/A THR 133.A OG1 ASN 131.A OD1 no hydrogen 2.700 N/A ILE 134.A N HIS 170.A O no hydrogen 2.855 N/A ARG 135.A NH2 ASP 195.A OD2 no hydrogen 3.504 N/A ALA 136.A N HIS 170.A ND1 no hydrogen 3.241 N/A SER 137.A N TYR 124.A OH no hydrogen 2.863 N/A LEU 139.A N TYR 116.A OH no hydrogen 2.982 N/A ALA 142.A N LEU 139.A O no hydrogen 2.998 N/A CYS 143.A SG HIS 41.A NE2 no hydrogen 3.417 N/A CYS 143.A SG HIS 161.A O no hydrogen 3.970 N/A CYS 143.A SG HIS 162.A O no hydrogen 3.209 N/A GLY 144.A N HIS 161.A O no hydrogen 2.791 N/A SER 145.A N ALA 142.A O no hydrogen 3.127 N/A SER 145.A OG ALA 113.A O no hydrogen 3.482 N/A SER 145.A OG ALA 142.A O no hydrogen 2.759 N/A GLY 147.A N TYR 159.A O no hydrogen 2.856 N/A PHE 148.A N THR 111.A O no hydrogen 2.676 N/A ASN 149.A N ASN 156.A O no hydrogen 3.131 N/A ASN 149.A ND2 GLU 151.A OE2 no hydrogen 2.738 N/A GLU 151.A N VAL 154.A O no hydrogen 3.099 N/A VAL 154.A N GLU 151.A O no hydrogen 3.059 N/A VAL 155.A N LYS 98.A O no hydrogen 2.809 N/A ASN 156.A N ASN 149.A O no hydrogen 2.998 N/A ASN 156.A ND2 ASN 149.A OD1 no hydrogen 3.127 N/A PHE 157.A N LYS 100.A O no hydrogen 2.836 N/A PHE 158.A N GLY 147.A O no hydrogen 2.952 N/A TYR 159.A N GLY 147.A O no hydrogen 3.312 N/A TYR 159.A OH HIS 161.A ND1 no hydrogen 2.769 N/A MET 160.A N THR 173.A O no hydrogen 2.845 N/A HIS 161.A N SER 145.A O no hydrogen 2.826 N/A HIS 161.A ND1 TYR 159.A OH no hydrogen 2.769 N/A HIS 162.A N THR 171.A O no hydrogen 3.177 N/A HIS 162.A NE2 THR 173.A OG1 no hydrogen 3.037 N/A LEU 163.A N THR 171.A O no hydrogen 3.019 N/A LEU 165.A N LEU 169.A O no hydrogen 2.700 N/A LEU 169.A N LEU 165.A O no hydrogen 3.248 N/A HIS 170.A N ILE 134.A O no hydrogen 2.974 N/A HIS 170.A NE2 GLU 164.A OE2 no hydrogen 3.178 N/A THR 171.A N LEU 163.A O no hydrogen 2.989 N/A THR 171.A OG1 GLY 132.A O no hydrogen 2.909 N/A THR 173.A N MET 160.A O no hydrogen 3.099 N/A THR 173.A OG1 HIS 162.A NE2 no hydrogen 3.037 N/A THR 173.A OG1 ASP 174.A O no hydrogen 2.975 N/A ASP 174.A N GLU 178.A O no hydrogen 2.971 N/A MET 176.A N ASP 174.A OD1 no hydrogen 2.920 N/A GLY 177.A N ASP 174.A O no hydrogen 3.107 N/A GLU 178.A N ASP 174.A OD1 no hydrogen 2.940 N/A TYR 180.A N GLY 172.A O no hydrogen 2.934 N/A TYR 180.A OH PHE 158.A O no hydrogen 2.600 N/A TYR 183.A N TYR 180.A O no hydrogen 3.441 N/A TYR 183.A OH ASN 131.A O no hydrogen 2.754 N/A VAL 184.A N GLN 190.A OE1 no hydrogen 2.941 N/A GLU 186.A N VAL 184.A O no hydrogen 2.891 N/A VAL 188.A N GLU 186.A O no hydrogen 2.931 N/A GLN 190.A NE2 VAL 184.A O no hydrogen 2.966 N/A GLN 190.A NE2 GLU 186.A O no hydrogen 3.315 N/A ASN 196.A N SER 130.A OG no hydrogen 2.917 N/A LEU 197.A N GLY 235.A O no hydrogen 3.122 N/A VAL 198.A N ASP 283.A OD2 no hydrogen 2.702 N/A THR 199.A N THR 237.A OG1 no hydrogen 3.067 N/A THR 199.A OG1 TYR 227.A OH no hydrogen 2.685 N/A THR 199.A OG1 THR 237.A O no hydrogen 2.766 N/A ASN 201.A ND2 GLY 107.A O no hydrogen 3.215 N/A ASN 201.A ND2 ASP 283.A O no hydrogen 2.833 N/A ILE 202.A N VAL 198.A O no hydrogen 2.995 N/A VAL 203.A N THR 199.A O no hydrogen 2.840 N/A ALA 204.A N ASN 200.A O no hydrogen 3.128 N/A TRP 205.A N ASN 201.A O no hydrogen 2.913 N/A LEU 206.A N ILE 202.A O no hydrogen 2.883 N/A TYR 207.A N VAL 203.A O no hydrogen 2.906 N/A TYR 207.A OH VAL 254.A O no hydrogen 2.722 N/A ALA 208.A N ALA 204.A O no hydrogen 2.958 N/A ALA 209.A N TRP 205.A O no hydrogen 2.792 N/A ILE 210.A N LEU 206.A O no hydrogen 2.914 N/A ILE 211.A N TYR 207.A O no hydrogen 2.924 N/A SER 212.A N ALA 208.A O no hydrogen 2.947 N/A SER 212.A OG ALA 208.A O no hydrogen 3.345 N/A SER 212.A OG ALA 209.A O no hydrogen 2.911 N/A VAL 213.A N ILE 210.A O no hydrogen 3.168 N/A LYS 215.A NZ PRO 274.A O no hydrogen 3.401 N/A LEU 217.A N PRO 214.A O no hydrogen 3.279 N/A GLU 218.A N THR 262.A OG1 no hydrogen 2.986 N/A VAL 222.A N CYS 257.A O no hydrogen 3.157 N/A ASP 226.A N SER 223.A OG no hydrogen 2.951 N/A TYR 227.A N SER 223.A O no hydrogen 2.867 N/A TYR 227.A OH THR 199.A OG1 no hydrogen 2.685 N/A ASN 228.A N ILE 224.A O no hydrogen 2.888 N/A ASN 228.A ND2 PHE 239.A O no hydrogen 3.276 N/A ARG 229.A N GLU 225.A O no hydrogen 2.919 N/A ARG 229.A NH2 GLU 225.A OE1 no hydrogen 3.098 N/A TRP 230.A N ASP 226.A O no hydrogen 2.775 N/A ALA 231.A N TYR 227.A O no hydrogen 2.538 N/A SER 232.A N ASN 228.A O no hydrogen 3.123 N/A SER 232.A OG ASN 228.A O no hydrogen 3.457 N/A SER 232.A OG ARG 229.A O no hydrogen 2.665 N/A ASP 233.A N TRP 230.A O no hydrogen 2.921 N/A ASN 234.A N ALA 231.A O no hydrogen 3.000 N/A PHE 236.A N ALA 231.A O no hydrogen 3.288 N/A THR 237.A N LEU 197.A O no hydrogen 3.076 N/A PHE 239.A N ASN 228.A OD1 no hydrogen 2.688 N/A SER 240.A OG ASN 200.A OD1 no hydrogen 3.114 N/A ILE 245.A N SER 242.A OG no hydrogen 3.308 N/A THR 246.A N SER 242.A O no hydrogen 3.039 N/A THR 246.A OG1 SER 242.A O no hydrogen 3.278 N/A LYS 247.A N THR 243.A O no hydrogen 2.959 N/A LEU 248.A N ALA 244.A O no hydrogen 2.966 N/A SER 249.A N ILE 245.A O no hydrogen 2.872 N/A SER 249.A OG VAL 254.A O no hydrogen 3.073 N/A ALA 250.A N THR 246.A O no hydrogen 2.959 N/A ILE 251.A N LYS 247.A O no hydrogen 2.770 N/A THR 252.A N LEU 248.A O no hydrogen 3.092 N/A THR 252.A OG1 LEU 248.A O no hydrogen 3.058 N/A THR 252.A OG1 SER 249.A O no hydrogen 3.504 N/A GLY 253.A N SER 249.A O no hydrogen 2.784 N/A VAL 254.A N THR 252.A OG1 no hydrogen 3.302 N/A CYS 257.A N ASP 255.A OD1 no hydrogen 2.630 N/A LYS 258.A N ASP 255.A O no hydrogen 2.920 N/A LEU 259.A N VAL 256.A O no hydrogen 2.825 N/A LEU 260.A N VAL 256.A O no hydrogen 2.883 N/A ARG 261.A N CYS 257.A O no hydrogen 3.177 N/A ARG 261.A NH2 THR 221.A O no hydrogen 3.025 N/A THR 262.A N LYS 258.A O no hydrogen 2.955 N/A THR 262.A OG1 LYS 258.A O no hydrogen 2.882 N/A ILE 263.A N LEU 259.A O no hydrogen 2.869 N/A MET 264.A N LEU 260.A O no hydrogen 3.131 N/A VAL 265.A N ARG 261.A O no hydrogen 2.958 N/A LYS 266.A N THR 262.A O no hydrogen 3.019 N/A LYS 266.A NZ ASP 273.A O no hydrogen 3.051 N/A SER 267.A N ILE 263.A O no hydrogen 2.810 N/A ALA 268.A N MET 264.A O no hydrogen 3.232 N/A ALA 268.A N VAL 265.A O no hydrogen 3.184 N/A GLN 269.A N VAL 265.A O no hydrogen 3.092 N/A TRP 270.A NE1 ASP 273.A O no hydrogen 3.070 N/A ILE 275.A N GLN 278.A O no hydrogen 2.992 N/A GLN 278.A N ILE 275.A O no hydrogen 3.200 N/A GLU 284.A N GLU 282.A OE1 no hydrogen 2.866 N/A SER 289.A N THR 286.A OG1 no hydrogen 3.213 N/A VAL 290.A N THR 286.A O no hydrogen 2.982 N/A PHE 291.A N PRO 287.A O no hydrogen 2.895 N/A ASN 292.A N GLU 288.A O no hydrogen 2.856 N/A GLN 293.A N SER 289.A O no hydrogen 3.210 N/A GLN 293.A N VAL 290.A O no hydrogen 3.004 N/A GLN 293.A NE2 LYS 4.A O no hydrogen 2.783 N/A GLN 293.A NE2 SER 289.A O no hydrogen 3.136 N/A GLN 293.A NE2 SER 289.A OG no hydrogen 2.954 N/A VAL 294.A N PHE 291.A O no hydrogen 3.029 N/A