Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 2.900 N/A GLN 5.A N ARG 22.A O no hydrogen 2.884 N/A VAL 7.A N LYS 20.A O no hydrogen 2.836 N/A GLU 8.A N LYS 20.A O no hydrogen 3.303 N/A LYS 9.A NZ TYR 19.A OH no hydrogen 2.318 N/A ILE 10.A N VAL 18.A O no hydrogen 2.870 N/A VAL 18.A N GLY 11.A O no hydrogen 3.122 N/A TYR 19.A N LEU 32.A O no hydrogen 2.737 N/A LYS 20.A N GLU 8.A O no hydrogen 2.672 N/A ALA 21.A N VAL 30.A O no hydrogen 2.760 N/A ARG 22.A N GLN 5.A O no hydrogen 2.851 N/A ARG 22.A NH1 GLN 5.A OE1 no hydrogen 2.597 N/A ASN 23.A N GLU 28.A O no hydrogen 2.758 N/A LYS 24.A N ASN 3.A O no hydrogen 2.997 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.165 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.552 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.101 N/A GLY 27.A N ASN 23.A O no hydrogen 2.715 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.381 N/A VAL 30.A N ALA 21.A O no hydrogen 2.786 N/A ALA 31.A N PHE 73.A O no hydrogen 2.924 N/A LEU 32.A N TYR 19.A O no hydrogen 2.626 N/A LYS 33.A N LEU 71.A O no hydrogen 2.964 N/A LYS 33.A NZ ASP 138.A OD1 no hydrogen 3.386 N/A LYS 33.A NZ ASP 138.A OD2 no hydrogen 3.062 N/A LYS 34.A N VAL 17.A O no hydrogen 3.102 N/A ILE 35.A N LEU 69.A O no hydrogen 2.913 N/A ARG 36.A N TYR 15.A O no hydrogen 3.160 N/A ILE 42.A N PRO 38.A O no hydrogen 3.100 N/A ARG 43.A N SER 39.A O no hydrogen 2.826 N/A GLU 44.A N THR 40.A O no hydrogen 2.792 N/A ILE 45.A N ALA 41.A O no hydrogen 2.874 N/A SER 46.A N ILE 42.A O no hydrogen 2.971 N/A SER 46.A OG ILE 42.A O no hydrogen 2.952 N/A LEU 47.A N ARG 43.A O no hydrogen 3.192 N/A LEU 47.A N GLU 44.A O no hydrogen 3.010 N/A LEU 48.A N GLU 44.A O no hydrogen 3.312 N/A LYS 49.A N SER 46.A O no hydrogen 3.214 N/A GLU 50.A N LEU 47.A O no hydrogen 3.040 N/A LEU 51.A N LEU 48.A O no hydrogen 3.057 N/A ASN 52.A N GLU 50.A O no hydrogen 2.845 N/A ASN 52.A ND2 LYS 49.A O no hydrogen 3.387 N/A ASN 55.A ND2 GLN 103.A OE1 no hydrogen 3.094 N/A ASN 55.A ND2 ILE 134.A O no hydrogen 2.921 N/A ILE 56.A N HIS 53.A O no hydrogen 2.966 N/A VAL 57.A N LEU 136.A O no hydrogen 2.822 N/A LYS 58.A N GLU 74.A OE1 no hydrogen 3.016 N/A LYS 58.A NZ ASN 52.A OD1 no hydrogen 2.956 N/A LEU 60.A N VAL 72.A O no hydrogen 2.715 N/A ASP 61.A N VAL 72.A O no hydrogen 3.272 N/A ILE 63.A N TYR 70.A O no hydrogen 2.706 N/A HIS 64.A ND1 LYS 68.A O no hydrogen 2.426 N/A THR 65.A N LYS 68.A O no hydrogen 2.793 N/A LYS 68.A N THR 65.A O no hydrogen 2.716 N/A LYS 68.A NZ TYR 70.A OH no hydrogen 3.489 N/A TYR 70.A N ILE 63.A O no hydrogen 2.802 N/A LEU 71.A N LYS 33.A O no hydrogen 2.964 N/A VAL 72.A N ASP 61.A O no hydrogen 2.818 N/A PHE 73.A N ALA 31.A O no hydrogen 2.817 N/A GLU 74.A N LYS 58.A O no hydrogen 2.902 N/A LEU 80.A N LEU 126.A O no hydrogen 2.721 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.850 N/A PHE 83.A N ASP 79.A O no hydrogen 3.094 N/A MET 84.A N LEU 80.A O no hydrogen 2.753 N/A ASP 85.A N LYS 81.A O no hydrogen 2.867 N/A ALA 86.A N LYS 82.A O no hydrogen 2.839 N/A SER 87.A N PHE 83.A O no hydrogen 2.906 N/A SER 87.A N MET 84.A O no hydrogen 3.231 N/A SER 87.A OG PHE 83.A O no hydrogen 2.936 N/A ALA 88.A N ASP 85.A O no hydrogen 3.258 N/A THR 90.A OG1 GLY 91.A O no hydrogen 3.015 N/A GLY 91.A N SER 87.A O no hydrogen 2.518 N/A LEU 96.A N PRO 93.A O no hydrogen 2.890 N/A ILE 97.A N PRO 93.A O no hydrogen 2.976 N/A LYS 98.A N LEU 94.A O no hydrogen 2.814 N/A LYS 98.A NZ PHE 267.A O no hydrogen 2.964 N/A LYS 98.A NZ ASP 270.A OD1 no hydrogen 2.669 N/A SER 99.A N PRO 95.A O no hydrogen 2.956 N/A SER 99.A OG THR 272.A O no hydrogen 3.355 N/A TYR 100.A N LEU 96.A O no hydrogen 2.880 N/A LEU 101.A N ILE 97.A O no hydrogen 2.865 N/A PHE 102.A N LYS 98.A O no hydrogen 2.899 N/A GLN 103.A N SER 99.A O no hydrogen 2.943 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.421 N/A GLN 103.A NE2 SER 99.A OG no hydrogen 2.990 N/A GLN 103.A NE2 GLY 132.A O no hydrogen 2.971 N/A LEU 104.A N TYR 100.A O no hydrogen 2.928 N/A LEU 105.A N LEU 101.A O no hydrogen 2.934 N/A GLN 106.A N PHE 102.A O no hydrogen 2.928 N/A GLY 107.A N GLN 103.A O no hydrogen 2.961 N/A LEU 108.A N.A LEU 104.A O no hydrogen 2.782 N/A LEU 108.A N.B LEU 104.A O no hydrogen 2.796 N/A ALA 109.A N LEU 105.A O no hydrogen 2.752 N/A PHE 110.A N GLN 106.A O no hydrogen 3.003 N/A CYS 111.A N GLY 107.A O no hydrogen 3.016 N/A CYS 111.A SG GLY 107.A O no hydrogen 3.456 N/A HIS 112.A N LEU 108.A O.A no hydrogen 2.781 N/A HIS 112.A N LEU 108.A O.B no hydrogen 2.780 N/A HIS 112.A NE2 ASP 167.A OD2 no hydrogen 2.867 N/A SER 113.A N ALA 109.A O no hydrogen 3.018 N/A SER 113.A OG PHE 110.A O no hydrogen 2.619 N/A SER 113.A OG HIS 114.A ND1 no hydrogen 3.278 N/A HIS 114.A N CYS 111.A O no hydrogen 2.864 N/A HIS 114.A ND1 PHE 110.A O no hydrogen 3.134 N/A ARG 115.A N HIS 112.A O no hydrogen 2.906 N/A VAL 116.A N CYS 111.A O no hydrogen 2.970 N/A HIS 118.A N ASP 167.A OD2 no hydrogen 2.854 N/A HIS 118.A NE2 ALA 137.A O no hydrogen 2.579 N/A ARG 119.A N.A ASP 167.A OD1 no hydrogen 2.760 N/A ARG 119.A N.B ASP 167.A OD1 no hydrogen 2.775 N/A ARG 119.A NE.A ARG 119.A O.A no hydrogen 2.906 N/A ARG 119.A NH1.A TYR 162.A OH no hydrogen 3.234 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 3.102 N/A LYS 122.A N ASN 125.A OD1 no hydrogen 2.978 N/A ASN 125.A N LYS 122.A O no hydrogen 2.861 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 2.830 N/A LEU 126.A N PRO 123.A O no hydrogen 3.096 N/A LEU 127.A N LYS 135.A O no hydrogen 2.861 N/A ILE 128.A N GLN 78.A O no hydrogen 2.772 N/A ASN 129.A N ALA 133.A O no hydrogen 3.234 N/A GLU 131.A N ASN 129.A OD1 no hydrogen 2.923 N/A GLY 132.A N ASN 129.A O no hydrogen 3.398 N/A ALA 133.A N ASN 129.A OD1 no hydrogen 2.964 N/A ILE 134.A N GLN 103.A OE1 no hydrogen 3.039 N/A LYS 135.A N LEU 127.A O no hydrogen 2.712 N/A LYS 135.A NZ GLU 74.A OE1 no hydrogen 3.416 N/A LYS 135.A NZ GLU 74.A OE2 no hydrogen 2.789 N/A LEU 136.A N ASN 55.A O no hydrogen 2.902 N/A ALA 137.A N ASN 125.A O no hydrogen 2.880 N/A LEU 141.A N ASP 138.A O no hydrogen 3.394 N/A ALA 144.A N GLY 140.A O no hydrogen 3.546 N/A ALA 144.A N LEU 141.A O no hydrogen 2.792 N/A VAL 146.A N GLU 145.A O no hydrogen 2.252 N/A TRP 150.A N THR 148.A OG1 no hydrogen 3.355 N/A TYR 151.A OH GLU 177.A OE1 no hydrogen 2.668 N/A ARG 152.A N LEU 149.A O no hydrogen 3.046 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.818 N/A ILE 156.A N ALA 153.A O no hydrogen 3.049 N/A LEU 157.A N ALA 153.A O no hydrogen 3.238 N/A LEU 158.A N PRO 154.A O no hydrogen 2.750 N/A GLY 159.A N ILE 156.A O no hydrogen 3.054 N/A VAL 166.A N SER 163.A O no hydrogen 3.032 N/A ASP 167.A N THR 164.A O no hydrogen 2.973 N/A TRP 169.A N ALA 165.A O no hydrogen 3.025 N/A SER 170.A N VAL 166.A O no hydrogen 3.098 N/A SER 170.A OG TYR 151.A O no hydrogen 2.768 N/A SER 170.A OG VAL 166.A O no hydrogen 3.092 N/A LEU 171.A N ASP 167.A O no hydrogen 2.915 N/A GLY 172.A N ILE 168.A O no hydrogen 2.850 N/A CYS 173.A N TRP 169.A O no hydrogen 3.009 N/A CYS 173.A SG TRP 169.A O no hydrogen 3.589 N/A ILE 174.A N SER 170.A O no hydrogen 3.041 N/A PHE 175.A N LEU 171.A O no hydrogen 2.848 N/A ALA 176.A N GLY 172.A O no hydrogen 3.012 N/A GLU 177.A N CYS 173.A O no hydrogen 3.106 N/A MET 178.A N ILE 174.A O no hydrogen 2.899 N/A VAL 179.A N PHE 175.A O no hydrogen 3.095 N/A THR 180.A N ALA 176.A O no hydrogen 2.854 N/A THR 180.A OG1 ALA 176.A O no hydrogen 3.084 N/A ARG 181.A N GLU 177.A O no hydrogen 2.825 N/A ARG 181.A NH1 ALA 88.A O no hydrogen 3.341 N/A ARG 182.A N THR 180.A OG1 no hydrogen 3.315 N/A GLY 187.A N PHE 185.A O no hydrogen 2.993 N/A GLY 187.A N GLN 193.A OE1 no hydrogen 2.828 N/A ASP 188.A N ASP 192.A OD2 no hydrogen 3.034 N/A ASP 192.A N SER 189.A OG no hydrogen 3.042 N/A GLN 193.A N SER 189.A O no hydrogen 2.768 N/A GLN 193.A NE2 TRP 150.A O no hydrogen 3.139 N/A GLN 193.A NE2 PHE 185.A O no hydrogen 2.836 N/A LEU 194.A N.A GLU 190.A O no hydrogen 2.950 N/A LEU 194.A N.B GLU 190.A O no hydrogen 2.960 N/A PHE 195.A N ILE 191.A O no hydrogen 2.818 N/A ARG 196.A N ASP 192.A O no hydrogen 2.890 N/A ARG 196.A NE ASP 192.A OD2 no hydrogen 2.913 N/A ILE 197.A N GLN 193.A O no hydrogen 3.090 N/A PHE 198.A N LEU 194.A O.A no hydrogen 2.951 N/A PHE 198.A N LEU 194.A O.B no hydrogen 2.915 N/A ARG 199.A N PHE 195.A O no hydrogen 2.962 N/A THR 200.A N ARG 196.A O no hydrogen 3.335 N/A THR 200.A N ILE 197.A O no hydrogen 3.173 N/A THR 200.A OG1 ARG 196.A O no hydrogen 3.430 N/A LEU 201.A N ILE 197.A O no hydrogen 2.816 N/A THR 203.A N TRP 225.A O no hydrogen 2.975 N/A THR 203.A OG1 PRO 223.A O no hydrogen 2.656 N/A VAL 208.A N ASP 205.A OD1 no hydrogen 3.107 N/A TRP 209.A N ASP 205.A O no hydrogen 2.939 N/A GLY 211.A N GLU 206.A OE1 no hydrogen 2.777 N/A VAL 212.A N TRP 209.A O no hydrogen 2.927 N/A THR 213.A N GLU 206.A OE2 no hydrogen 3.008 N/A THR 213.A OG1 GLU 206.A OE2 no hydrogen 2.638 N/A SER 214.A N.A GLY 211.A O no hydrogen 3.073 N/A SER 214.A N.B GLY 211.A O no hydrogen 3.032 N/A SER 214.A OG.A GLY 211.A O no hydrogen 2.739 N/A MET 215.A N.A VAL 212.A O no hydrogen 3.250 N/A MET 215.A N.B VAL 212.A O no hydrogen 3.144 N/A ASP 217.A N LEU 158.A O no hydrogen 2.863 N/A TYR 218.A N MET 215.A O.A no hydrogen 3.067 N/A TYR 218.A N MET 215.A O.B no hydrogen 2.925 N/A TYR 218.A N MET 215.A O.C no hydrogen 2.951 N/A PHE 222.A N LYS 219.A O no hydrogen 2.955 N/A TRP 225.A N THR 203.A OG1 no hydrogen 3.030 N/A ARG 227.A NH1 LEU 201.A O no hydrogen 2.917 N/A GLN 228.A N THR 200.A O no hydrogen 2.847 N/A LYS 232.A N ASP 229.A O no hydrogen 2.888 N/A VAL 233.A N ASP 229.A O no hydrogen 3.231 N/A VAL 234.A N PHE 230.A O no hydrogen 2.893 N/A LEU 237.A N VAL 234.A O no hydrogen 2.831 N/A GLY 241.A N ASP 238.A OD1 no hydrogen 2.793 N/A ARG 242.A N ASP 238.A O no hydrogen 2.882 N/A ARG 242.A NH1 LEU 237.A O no hydrogen 2.803 N/A SER 243.A N GLU 239.A O no hydrogen 2.854 N/A SER 243.A OG HIS 265.A NE2 no hydrogen 3.098 N/A LEU 244.A N ASP 240.A O no hydrogen 3.028 N/A LEU 245.A N GLY 241.A O no hydrogen 2.856 N/A SER 246.A N.A ARG 242.A O no hydrogen 2.896 N/A SER 246.A N.B ARG 242.A O no hydrogen 2.923 N/A SER 246.A OG.A SER 243.A O no hydrogen 2.659 N/A GLN 247.A N.A SER 243.A O no hydrogen 3.130 N/A GLN 247.A N.B SER 243.A O no hydrogen 3.161 N/A GLN 247.A NE2.A SER 243.A O no hydrogen 3.238 N/A GLN 247.A NE2.A SER 243.A OG no hydrogen 2.946 N/A MET 248.A N LEU 244.A O no hydrogen 3.029 N/A MET 248.A N LEU 245.A O no hydrogen 3.038 N/A LEU 249.A N LEU 245.A O no hydrogen 2.993 N/A LEU 249.A N SER 246.A O.B no hydrogen 2.921 N/A TYR 251.A OH GLY 202.A O no hydrogen 2.607 N/A ASN 254.A N ASP 252.A OD1 no hydrogen 2.984 N/A LYS 255.A N ASP 252.A O no hydrogen 2.887 N/A LYS 255.A NZ VAL 208.A O no hydrogen 3.205 N/A LYS 255.A NZ ASP 252.A OD2 no hydrogen 2.791 N/A ARG 256.A N ASP 252.A O no hydrogen 2.988 N/A ARG 256.A NE HIS 250.A O no hydrogen 2.783 N/A ARG 256.A NH1 GLU 155.A OE1 no hydrogen 3.327 N/A ARG 256.A NH1 GLU 155.A OE2 no hydrogen 2.808 N/A ARG 256.A NH1 ALA 165.A O no hydrogen 3.003 N/A ARG 256.A NH2 GLU 155.A OE1 no hydrogen 2.750 N/A ARG 256.A NH2 HIS 250.A O no hydrogen 3.122 N/A ARG 256.A NH2 TYR 251.A O no hydrogen 2.969 N/A ILE 257.A N GLN 247.A O.A no hydrogen 3.074 N/A ILE 257.A N GLN 247.A O.B no hydrogen 2.991 N/A ALA 261.A N SER 258.A OG no hydrogen 3.084 N/A ALA 262.A N SER 258.A O no hydrogen 2.931 N/A LEU 263.A N ALA 259.A O no hydrogen 3.031 N/A LEU 263.A N LYS 260.A O no hydrogen 3.271 N/A ALA 264.A N ALA 261.A O no hydrogen 3.021 N/A HIS 265.A N ALA 262.A O no hydrogen 3.027 N/A HIS 265.A NE2 SER 243.A OG no hydrogen 3.098 N/A PHE 267.A N HIS 265.A ND1 no hydrogen 2.898 N/A PHE 268.A N HIS 265.A O no hydrogen 2.961 N/A GLN 269.A N PRO 266.A O no hydrogen 2.912 N/A VAL 271.A N PHE 268.A O no hydrogen 3.108 N/A