Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ek4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1 no hydrogen 3.120 N/A PHE 4.A N MET 1.A O no hydrogen 2.876 N/A GLN 5.A N ARG 22.A O no hydrogen 2.955 N/A VAL 7.A N LYS 20.A O no hydrogen 2.804 N/A GLU 8.A N LYS 20.A O no hydrogen 3.394 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 2.754 N/A ILE 10.A N VAL 18.A O no hydrogen 2.838 N/A GLY 11.A N VAL 18.A O no hydrogen 3.300 N/A GLY 13.A N GLY 16.A O no hydrogen 2.903 N/A TYR 15.A OH GLY 144.A O no hydrogen 3.045 N/A VAL 18.A N GLY 11.A O no hydrogen 2.944 N/A TYR 19.A N LEU 32.A O.A no hydrogen 2.932 N/A TYR 19.A N LEU 32.A O.B no hydrogen 2.803 N/A LYS 20.A N GLU 8.A O no hydrogen 2.851 N/A ALA 21.A N VAL 30.A O no hydrogen 2.894 N/A ARG 22.A N GLN 5.A O no hydrogen 2.841 N/A ARG 22.A NH1.A GLY 27.A O no hydrogen 3.026 N/A ASN 23.A N GLU 28.A O no hydrogen 2.646 N/A ASN 23.A ND2 GLU 28.A OE1 no hydrogen 3.388 N/A LYS 24.A N ASN 3.A O no hydrogen 2.916 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.909 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.902 N/A THR 26.A OG1 GLU 28.A OE1 no hydrogen 3.355 N/A GLY 27.A N ASN 23.A O no hydrogen 2.716 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.415 N/A VAL 30.A N ALA 21.A O no hydrogen 2.869 N/A ALA 31.A N PHE 71.A O no hydrogen 2.866 N/A LEU 32.A N.A TYR 19.A O no hydrogen 2.767 N/A LEU 32.A N.B TYR 19.A O no hydrogen 2.744 N/A LYS 33.A N LEU 69.A O no hydrogen 2.862 N/A LYS 33.A NZ ASP 136.A OD1 no hydrogen 2.730 N/A LYS 33.A NZ ASP 136.A OD2 no hydrogen 3.294 N/A LYS 34.A N VAL 17.A O no hydrogen 3.080 N/A ILE 35.A N LEU 67.A O no hydrogen 2.784 N/A ILE 40.A N PRO 36.A O no hydrogen 3.296 N/A ARG 41.A N SER 37.A O no hydrogen 3.086 N/A GLU 42.A N THR 38.A O no hydrogen 2.969 N/A ILE 43.A N ALA 39.A O no hydrogen 2.800 N/A SER 44.A N ILE 40.A O no hydrogen 2.887 N/A SER 44.A OG ILE 40.A O no hydrogen 2.633 N/A LEU 45.A N ARG 41.A O no hydrogen 3.120 N/A LEU 46.A N ILE 43.A O no hydrogen 2.991 N/A LYS 47.A N SER 44.A O no hydrogen 3.118 N/A LYS 47.A NZ.B LEU 58.A O no hydrogen 3.270 N/A LYS 47.A NZ.B ASP 59.A OD1 no hydrogen 3.129 N/A GLU 48.A N LEU 45.A O no hydrogen 3.238 N/A LEU 49.A N LEU 46.A O no hydrogen 3.074 N/A ASN 50.A N GLU 48.A O no hydrogen 3.021 N/A ASN 50.A ND2 LYS 47.A O no hydrogen 3.287 N/A ASN 53.A N HIS 51.A ND1 no hydrogen 2.910 N/A ASN 53.A ND2 GLN 101.A OE1 no hydrogen 3.150 N/A ASN 53.A ND2 ILE 132.A O no hydrogen 2.912 N/A ILE 54.A N HIS 51.A O no hydrogen 3.024 N/A VAL 55.A N LEU 134.A O no hydrogen 2.939 N/A LYS 56.A N GLU 72.A OE1 no hydrogen 2.921 N/A LEU 58.A N VAL 70.A O no hydrogen 2.730 N/A ASP 59.A N VAL 70.A O no hydrogen 3.274 N/A ILE 61.A N TYR 68.A O no hydrogen 2.847 N/A HIS 62.A ND1 LYS 66.A O no hydrogen 3.220 N/A THR 63.A N LYS 66.A O no hydrogen 2.868 N/A LYS 66.A N THR 63.A O no hydrogen 2.802 N/A TYR 68.A N ILE 61.A O no hydrogen 2.798 N/A LEU 69.A N LYS 33.A O no hydrogen 2.864 N/A VAL 70.A N ASP 59.A O no hydrogen 2.893 N/A PHE 71.A N ALA 31.A O no hydrogen 2.850 N/A GLU 72.A N LYS 56.A O no hydrogen 2.889 N/A ASP 77.A N GLN 76.A OE1.A no hydrogen 2.881 N/A LEU 78.A N LEU 124.A O no hydrogen 2.780 N/A LYS 79.A NZ ASP 83.A OD2 no hydrogen 3.075 N/A LYS 80.A N ASP 77.A OD1.A no hydrogen 2.960 N/A LYS 80.A N ASP 77.A OD1.B no hydrogen 2.712 N/A LYS 80.A NZ ASP 77.A OD2.A no hydrogen 2.839 N/A PHE 81.A N ASP 77.A O no hydrogen 3.095 N/A MET 82.A N LEU 78.A O no hydrogen 2.779 N/A ASP 83.A N LYS 79.A O no hydrogen 3.000 N/A ALA 84.A N LYS 80.A O no hydrogen 2.884 N/A SER 85.A N PHE 81.A O no hydrogen 2.889 N/A SER 85.A N MET 82.A O no hydrogen 3.218 N/A SER 85.A OG PHE 81.A O no hydrogen 2.757 N/A ALA 86.A N ASP 83.A O no hydrogen 3.164 N/A GLY 89.A N SER 85.A O no hydrogen 2.601 N/A LEU 94.A N PRO 91.A O no hydrogen 2.939 N/A ILE 95.A N PRO 91.A O no hydrogen 2.996 N/A LYS 96.A N LEU 92.A O no hydrogen 2.846 N/A LYS 96.A NZ PHE 276.A O no hydrogen 2.860 N/A LYS 96.A NZ ASP 279.A OD1 no hydrogen 2.594 N/A SER 97.A N PRO 93.A O no hydrogen 2.989 N/A SER 97.A OG THR 281.A O no hydrogen 3.354 N/A TYR 98.A N LEU 94.A O no hydrogen 2.867 N/A LEU 99.A N ILE 95.A O no hydrogen 2.856 N/A PHE 100.A N LYS 96.A O no hydrogen 2.910 N/A GLN 101.A N SER 97.A O no hydrogen 2.954 N/A GLN 101.A NE2 SER 97.A O no hydrogen 3.465 N/A GLN 101.A NE2 SER 97.A OG no hydrogen 3.044 N/A GLN 101.A NE2 GLY 130.A O no hydrogen 2.932 N/A LEU 102.A N TYR 98.A O no hydrogen 2.840 N/A LEU 103.A N LEU 99.A O no hydrogen 2.912 N/A GLN 104.A N PHE 100.A O no hydrogen 3.016 N/A GLN 104.A NE2 PHE 100.A O no hydrogen 3.592 N/A GLY 105.A N GLN 101.A O no hydrogen 3.015 N/A LEU 106.A N LEU 102.A O no hydrogen 2.909 N/A ALA 107.A N LEU 103.A O no hydrogen 2.779 N/A PHE 108.A N GLN 104.A O no hydrogen 3.040 N/A CYS 109.A N GLY 105.A O no hydrogen 3.070 N/A CYS 109.A SG.A GLY 105.A O no hydrogen 3.644 N/A CYS 109.A SG.B GLY 105.A O no hydrogen 3.559 N/A CYS 109.A SG.B LEU 106.A O no hydrogen 3.321 N/A CYS 109.A SG.B VAL 114.A O no hydrogen 3.374 N/A HIS 110.A N LEU 106.A O no hydrogen 2.795 N/A HIS 110.A NE2 ASP 176.A OD2 no hydrogen 2.867 N/A SER 111.A N ALA 107.A O no hydrogen 2.999 N/A SER 111.A N PHE 108.A O no hydrogen 3.172 N/A SER 111.A OG PHE 108.A O no hydrogen 2.719 N/A HIS 112.A N CYS 109.A O no hydrogen 2.995 N/A ARG 113.A N HIS 110.A O no hydrogen 2.900 N/A VAL 114.A N CYS 109.A O no hydrogen 3.011 N/A HIS 116.A N ASP 176.A OD2 no hydrogen 2.841 N/A HIS 116.A NE2 ALA 135.A O no hydrogen 2.821 N/A ARG 117.A N ASP 176.A OD1 no hydrogen 2.790 N/A ARG 117.A NE ARG 117.A O no hydrogen 2.936 N/A ASP 118.A N HIS 116.A ND1 no hydrogen 2.959 N/A LYS 120.A N ASN 123.A OD1.A no hydrogen 3.049 N/A LYS 120.A NZ ASP 118.A OD2 no hydrogen 2.886 N/A ASN 123.A N LYS 120.A O no hydrogen 2.928 N/A ASN 123.A ND2.A ASP 118.A O no hydrogen 2.851 N/A ASN 123.A ND2.B ASP 118.A O no hydrogen 3.276 N/A LEU 124.A N PRO 121.A O no hydrogen 3.156 N/A LEU 125.A N LYS 133.A O no hydrogen 2.844 N/A ILE 126.A N GLN 76.A O.A no hydrogen 2.860 N/A ILE 126.A N GLN 76.A O.B no hydrogen 2.914 N/A ASN 127.A N ALA 131.A O no hydrogen 3.213 N/A GLU 129.A N ASN 127.A OD1 no hydrogen 3.020 N/A GLY 130.A N ASN 127.A O no hydrogen 3.427 N/A ALA 131.A N ASN 127.A OD1 no hydrogen 3.021 N/A ILE 132.A N GLN 101.A OE1 no hydrogen 3.145 N/A LYS 133.A N LEU 125.A O no hydrogen 2.794 N/A LYS 133.A NZ GLU 72.A OE1 no hydrogen 3.437 N/A LYS 133.A NZ GLU 72.A OE2 no hydrogen 2.734 N/A LEU 134.A N ASN 53.A O no hydrogen 2.876 N/A ALA 135.A N ASN 123.A O no hydrogen 2.824 N/A LEU 139.A N ASP 136.A O no hydrogen 3.158 N/A PHE 143.A N LEU 139.A O no hydrogen 2.880 N/A GLY 144.A N ALA 140.A O no hydrogen 2.677 N/A ARG 148.A NH1 HIS 152.A O no hydrogen 3.063 N/A THR 149.A N GLU 153.A O no hydrogen 2.778 N/A THR 149.A OG1 THR 151.A OG1 no hydrogen 2.932 N/A TYR 150.A N THR 14.A O no hydrogen 3.211 N/A THR 151.A N THR 149.A OG1 no hydrogen 3.143 N/A THR 151.A OG1 THR 149.A OG1 no hydrogen 2.932 N/A HIS 152.A N THR 149.A O no hydrogen 2.866 N/A GLU 153.A N THR 149.A OG1 no hydrogen 3.278 N/A VAL 155.A N VAL 147.A O no hydrogen 3.055 N/A TRP 158.A N THR 156.A OG1 no hydrogen 3.272 N/A TYR 159.A OH GLU 186.A OE1 no hydrogen 2.616 N/A ARG 160.A N LEU 157.A O no hydrogen 3.064 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.741 N/A ILE 164.A N ALA 161.A O no hydrogen 3.043 N/A LEU 165.A N ALA 161.A O no hydrogen 3.268 N/A LEU 166.A N PRO 162.A O no hydrogen 2.862 N/A GLY 167.A N ILE 164.A O no hydrogen 2.996 N/A CYS 168.A N GLU 163.A O no hydrogen 2.980 N/A CYS 168.A SG.A TYR 170.A O no hydrogen 2.784 N/A CYS 168.A SG.B GLU 163.A O no hydrogen 3.442 N/A CYS 168.A SG.C GLU 163.A O no hydrogen 3.037 N/A CYS 168.A SG.C TYR 170.A O no hydrogen 3.514 N/A ALA 174.A N SER 172.A OG no hydrogen 3.084 N/A VAL 175.A N SER 172.A O no hydrogen 3.037 N/A ASP 176.A N THR 173.A O no hydrogen 3.044 N/A TRP 178.A N ALA 174.A O no hydrogen 3.070 N/A SER 179.A N VAL 175.A O no hydrogen 3.207 N/A SER 179.A OG TYR 159.A O no hydrogen 2.728 N/A SER 179.A OG VAL 175.A O no hydrogen 3.137 N/A LEU 180.A N ASP 176.A O no hydrogen 2.945 N/A GLY 181.A N ILE 177.A O no hydrogen 2.889 N/A CYS 182.A N TRP 178.A O no hydrogen 2.970 N/A CYS 182.A SG TRP 178.A O no hydrogen 3.540 N/A ILE 183.A N SER 179.A O no hydrogen 3.033 N/A PHE 184.A N LEU 180.A O no hydrogen 2.841 N/A ALA 185.A N GLY 181.A O no hydrogen 3.000 N/A GLU 186.A N CYS 182.A O no hydrogen 3.081 N/A MET 187.A N ILE 183.A O no hydrogen 2.887 N/A VAL 188.A N PHE 184.A O no hydrogen 3.116 N/A THR 189.A N ALA 185.A O no hydrogen 2.941 N/A THR 189.A OG1 ALA 185.A O no hydrogen 3.005 N/A ARG 190.A N GLU 186.A O no hydrogen 2.876 N/A ARG 190.A NH1 ALA 86.A O no hydrogen 3.309 N/A ARG 191.A N THR 189.A OG1 no hydrogen 3.386 N/A GLY 196.A N PHE 194.A O no hydrogen 2.902 N/A GLY 196.A N GLN 202.A OE1 no hydrogen 2.888 N/A ASP 197.A N ASP 201.A OD2 no hydrogen 3.121 N/A ASP 201.A N SER 198.A OG no hydrogen 3.055 N/A GLN 202.A N SER 198.A O no hydrogen 2.860 N/A GLN 202.A NE2 TRP 158.A O no hydrogen 3.247 N/A GLN 202.A NE2 PHE 194.A O no hydrogen 2.937 N/A LEU 203.A N.A GLU 199.A O no hydrogen 2.968 N/A LEU 203.A N.B GLU 199.A O no hydrogen 2.977 N/A PHE 204.A N ILE 200.A O no hydrogen 2.822 N/A ARG 205.A N ASP 201.A O no hydrogen 2.896 N/A ARG 205.A NE ASP 201.A OD2 no hydrogen 2.979 N/A ILE 206.A N GLN 202.A O no hydrogen 3.084 N/A PHE 207.A N LEU 203.A O.A no hydrogen 2.965 N/A PHE 207.A N LEU 203.A O.B no hydrogen 2.905 N/A ARG 208.A N PHE 204.A O no hydrogen 2.871 N/A THR 209.A N ARG 205.A O no hydrogen 3.340 N/A THR 209.A N ILE 206.A O no hydrogen 3.170 N/A THR 209.A OG1 ARG 205.A O no hydrogen 3.535 N/A LEU 210.A N ILE 206.A O no hydrogen 2.837 N/A GLY 211.A N PHE 207.A O no hydrogen 2.808 N/A THR 212.A N TRP 234.A O no hydrogen 2.959 N/A THR 212.A OG1 PRO 232.A O no hydrogen 2.713 N/A VAL 216.A N ASP 214.A OD1 no hydrogen 3.020 N/A VAL 217.A N ASP 214.A OD1 no hydrogen 3.149 N/A TRP 218.A N ASP 214.A O no hydrogen 2.905 N/A GLY 220.A N GLU 215.A OE1 no hydrogen 2.736 N/A VAL 221.A N TRP 218.A O no hydrogen 2.956 N/A THR 222.A N GLU 215.A OE2 no hydrogen 3.015 N/A THR 222.A OG1 GLU 215.A OE2 no hydrogen 2.665 N/A SER 223.A N GLY 220.A O no hydrogen 3.052 N/A SER 223.A OG.B GLY 220.A O no hydrogen 3.006 N/A MET 224.A N VAL 221.A O no hydrogen 3.115 N/A ASP 226.A N LEU 166.A O no hydrogen 2.894 N/A TYR 227.A N MET 224.A O no hydrogen 3.114 N/A LYS 228.A NZ.B ASP 226.A O no hydrogen 3.569 N/A PHE 231.A N LYS 228.A O no hydrogen 2.995 N/A LYS 233.A NZ.B TYR 227.A OH no hydrogen 3.087 N/A LYS 233.A NZ.B PHE 231.A O no hydrogen 3.154 N/A TRP 234.A N THR 212.A OG1 no hydrogen 2.928 N/A ARG 236.A NH1 LEU 210.A O no hydrogen 2.984 N/A GLN 237.A N THR 209.A O no hydrogen 2.797 N/A GLN 237.A NE2.A ALA 235.A O no hydrogen 3.325 N/A GLN 237.A NE2.B ARG 208.A O no hydrogen 3.575 N/A LYS 241.A N ASP 238.A O no hydrogen 2.883 N/A LYS 241.A NZ.B GLN 237.A OE1.A no hydrogen 2.617 N/A VAL 242.A N PHE 239.A O no hydrogen 3.055 N/A VAL 243.A N PHE 239.A O no hydrogen 3.004 N/A LEU 246.A N VAL 243.A O no hydrogen 2.937 N/A GLY 250.A N ASP 247.A OD1.A no hydrogen 3.132 N/A GLY 250.A N ASP 247.A OD1.B no hydrogen 2.678 N/A ARG 251.A N ASP 247.A O no hydrogen 2.908 N/A ARG 251.A NH1 LEU 246.A O no hydrogen 2.648 N/A SER 252.A N GLU 248.A O no hydrogen 2.969 N/A SER 252.A OG.A HIS 274.A NE2 no hydrogen 2.918 N/A LEU 253.A N ASP 249.A O no hydrogen 2.980 N/A LEU 254.A N GLY 250.A O no hydrogen 2.860 N/A SER 255.A N ARG 251.A O no hydrogen 2.920 N/A SER 255.A OG.A ARG 251.A O no hydrogen 3.526 N/A SER 255.A OG.A SER 252.A O no hydrogen 2.744 N/A GLN 256.A N SER 252.A O no hydrogen 3.112 N/A GLN 256.A NE2 SER 252.A O no hydrogen 3.279 N/A MET 257.A N LEU 253.A O no hydrogen 2.943 N/A LEU 258.A N LEU 254.A O no hydrogen 3.019 N/A LEU 258.A N SER 255.A O no hydrogen 3.240 N/A TYR 260.A OH GLY 211.A O no hydrogen 2.627 N/A ASN 263.A N ASP 261.A OD1 no hydrogen 2.941 N/A LYS 264.A N ASP 261.A O no hydrogen 2.853 N/A LYS 264.A NZ VAL 217.A O no hydrogen 3.197 N/A LYS 264.A NZ ASP 261.A OD2 no hydrogen 3.003 N/A ARG 265.A N ASP 261.A O no hydrogen 3.069 N/A ARG 265.A NE HIS 259.A O no hydrogen 2.860 N/A ARG 265.A NH1 GLU 163.A OE1 no hydrogen 3.394 N/A ARG 265.A NH1 GLU 163.A OE2 no hydrogen 2.802 N/A ARG 265.A NH1 ALA 174.A O no hydrogen 2.983 N/A ARG 265.A NH2 GLU 163.A OE1 no hydrogen 2.891 N/A ARG 265.A NH2 HIS 259.A O no hydrogen 3.185 N/A ARG 265.A NH2 TYR 260.A O no hydrogen 2.935 N/A ILE 266.A N GLN 256.A O no hydrogen 3.065 N/A ALA 270.A N SER 267.A OG no hydrogen 2.958 N/A ALA 271.A N SER 267.A O no hydrogen 2.867 N/A LEU 272.A N ALA 268.A O no hydrogen 3.039 N/A ALA 273.A N ALA 270.A O no hydrogen 3.066 N/A HIS 274.A N ALA 271.A O no hydrogen 2.957 N/A HIS 274.A NE2 SER 252.A OG.A no hydrogen 2.918 N/A PHE 276.A N HIS 274.A ND1 no hydrogen 2.914 N/A PHE 277.A N HIS 274.A O no hydrogen 2.965 N/A GLN 278.A N PRO 275.A O no hydrogen 3.014 N/A VAL 280.A N PHE 277.A O no hydrogen 3.109 N/A LEU 287.A N PRO 285.A O no hydrogen 3.268 N/A