Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ILE 300.A O no hydrogen 2.726 N/A ILE 6.A N VAL 298.A O no hydrogen 2.854 N/A ALA 8.A N GLY 296.A O no hydrogen 2.889 N/A SER 10.A N ASN 61.A OD1 no hydrogen 3.087 N/A ALA 12.A N HIS 295.A O no hydrogen 2.857 N/A ASN 14.A N SER 28.A O no hydrogen 3.287 N/A ASN 14.A ND2 TYR 75.A O no hydrogen 3.054 N/A SER 15.A OG SER 28.A OG no hydrogen 2.730 N/A PHE 16.A N GLN 280.A OE1 no hydrogen 3.263 N/A THR 17.A N TYR 26.A O no hydrogen 3.230 N/A PHE 18.A N THR 17.A OG1 no hydrogen 2.833 N/A SER 20.A OG LEU 81.A O no hydrogen 3.338 N/A THR 21.A OG1 ASP 19.A OD1 no hydrogen 2.486 N/A ASN 22.A N ASP 19.A O no hydrogen 3.152 N/A ASN 22.A N ASP 19.A OD1 no hydrogen 3.100 N/A ASN 22.A ND2 ASP 285.A OD2 no hydrogen 2.907 N/A LYS 23.A N THR 21.A OG1 no hydrogen 3.213 N/A PHE 25.A N TYR 37.A O no hydrogen 3.171 N/A TYR 26.A N THR 17.A O no hydrogen 2.995 N/A TYR 26.A OH ASP 19.A OD2 no hydrogen 2.562 N/A THR 27.A N ILE 35.A O no hydrogen 2.993 N/A THR 27.A OG1 SER 15.A O no hydrogen 2.786 N/A SER 28.A OG ASN 14.A OD1 no hydrogen 2.674 N/A SER 28.A OG SER 15.A OG no hydrogen 2.730 N/A SER 28.A OG THR 74.A O no hydrogen 3.545 N/A VAL 29.A N ARG 33.A O no hydrogen 3.162 N/A GLN 30.A N TYR 11.A O no hydrogen 2.804 N/A ASP 31.A N SER 10.A OG no hydrogen 2.973 N/A GLY 32.A N VAL 29.A O no hydrogen 3.288 N/A ARG 33.A N ASP 31.A OD1 no hydrogen 3.224 N/A ARG 33.A NE ASP 31.A OD1 no hydrogen 3.087 N/A ARG 33.A NH1 ASP 46.A OD1 no hydrogen 2.784 N/A ARG 33.A NH2 ASP 31.A OD2 no hydrogen 2.694 N/A VAL 34.A N ALA 48.A O no hydrogen 2.875 N/A ILE 35.A N THR 27.A O no hydrogen 2.868 N/A LYS 36.A N VAL 45.A O no hydrogen 2.833 N/A LYS 36.A NZ GLU 38.A OE2 no hydrogen 2.999 N/A TYR 37.A N PHE 25.A O no hydrogen 2.807 N/A GLU 38.A N GLY 43.A O no hydrogen 2.993 N/A GLY 43.A N GLY 39.A O no hydrogen 2.839 N/A VAL 45.A N LYS 36.A O no hydrogen 2.927 N/A PHE 47.A N VAL 34.A O no hydrogen 3.066 N/A ALA 48.A N VAL 34.A O no hydrogen 2.944 N/A TYR 49.A N GLY 103.A O no hydrogen 2.976 N/A TYR 49.A OH ASP 46.A OD2 no hydrogen 2.763 N/A SER 51.A OG LEU 70.A O no hydrogen 2.557 N/A TYR 53.A N SER 51.A OG no hydrogen 3.008 N/A TRP 54.A N SER 51.A O no hydrogen 3.431 N/A TRP 54.A NE1 ASP 31.A O no hydrogen 2.827 N/A LYS 56.A NZ GLU 60.A OE1 no hydrogen 3.186 N/A LYS 56.A NZ GLU 60.A OE2 no hydrogen 3.246 N/A PHE 58.A N ASN 55.A O no hydrogen 3.296 N/A PHE 58.A N ASN 55.A OD1 no hydrogen 2.800 N/A CYS 59.A N ASN 55.A O no hydrogen 2.837 N/A GLU 60.A N LYS 56.A O no hydrogen 3.070 N/A ASN 61.A N ASP 31.A OD2 no hydrogen 2.934 N/A SER 62.A N CYS 59.A O no hydrogen 3.096 N/A GLU 66.A N ASP 64.A OD1 no hydrogen 2.944 N/A LYS 67.A N ASP 64.A O no hydrogen 3.120 N/A LYS 67.A NZ PHE 58.A O no hydrogen 3.062 N/A ARG 68.A N ALA 65.A O no hydrogen 3.065 N/A ARG 68.A NH1 ASP 143.A OD1 no hydrogen 2.966 N/A LEU 70.A N LYS 67.A O no hydrogen 3.282 N/A CYS 71.A N LYS 67.A O no hydrogen 2.778 N/A CYS 71.A SG LYS 67.A O no hydrogen 3.240 N/A GLY 72.A N ARG 68.A O no hydrogen 2.688 N/A ARG 73.A N ASP 90.A OD1 no hydrogen 3.387 N/A ARG 73.A NE GLN 30.A OE1 no hydrogen 3.447 N/A ARG 73.A NH1 ASN 14.A OD1 no hydrogen 2.895 N/A ARG 73.A NH1 THR 74.A O no hydrogen 2.773 N/A ARG 73.A NH2 ALA 12.A O no hydrogen 2.963 N/A ARG 73.A NH2 GLN 30.A OE1 no hydrogen 2.973 N/A THR 74.A OG1 ASP 90.A OD2 no hydrogen 2.781 N/A TYR 75.A N VAL 89.A O no hydrogen 2.939 N/A TYR 75.A OH ASP 143.A OD2 no hydrogen 2.491 N/A ASP 76.A N VAL 89.A O no hydrogen 3.491 N/A ILE 77.A N ASP 76.A OD1 no hydrogen 2.807 N/A SER 78.A N TYR 87.A O no hydrogen 2.981 N/A TYR 79.A N THR 17.A OG1 no hydrogen 3.216 N/A ASN 80.A N GLN 85.A O no hydrogen 2.716 N/A LEU 81.A N GLN 127.A OE1 no hydrogen 2.861 N/A GLN 82.A N ASN 80.A OD1 no hydrogen 2.862 N/A ASN 83.A N ASN 80.A OD1 no hydrogen 3.128 N/A ASN 84.A ND2 SER 20.A OG no hydrogen 3.338 N/A GLN 85.A N ASN 80.A O no hydrogen 3.335 N/A LEU 86.A N VAL 98.A O no hydrogen 2.907 N/A TYR 87.A N SER 78.A O no hydrogen 2.867 N/A ILE 88.A N SER 96.A O no hydrogen 2.894 N/A VAL 89.A N ASP 76.A O no hydrogen 3.059 N/A ASP 90.A N HIS 94.A O no hydrogen 2.976 N/A CYS 91.A N ARG 73.A O no hydrogen 3.044 N/A CYS 91.A SG LYS 118.A O no hydrogen 3.729 N/A TYR 92.A N ASP 90.A OD1 no hydrogen 2.792 N/A TYR 92.A OH ASP 143.A OD1 no hydrogen 2.437 N/A TYR 93.A N ASP 90.A OD1 no hydrogen 2.898 N/A TYR 93.A OH PRO 69.A O no hydrogen 2.668 N/A TYR 93.A OH LEU 70.A O no hydrogen 3.203 N/A HIS 94.A N ASP 90.A O no hydrogen 2.779 N/A LEU 95.A N ALA 109.A O no hydrogen 3.285 N/A SER 96.A N ILE 88.A O no hydrogen 2.869 N/A SER 96.A OG HIS 94.A O no hydrogen 3.259 N/A VAL 97.A N THR 106.A O no hydrogen 2.921 N/A VAL 98.A N LEU 86.A O no hydrogen 3.006 N/A GLY 102.A N GLY 99.A O no hydrogen 2.995 N/A GLY 103.A N PHE 47.A O no hydrogen 2.809 N/A HIS 104.A ND1 SER 51.A O no hydrogen 2.824 N/A ALA 105.A N TYR 49.A O no hydrogen 2.961 N/A THR 106.A N VAL 97.A O no hydrogen 2.723 N/A GLN 107.A NE2 TYR 93.A O no hydrogen 3.011 N/A LEU 108.A N LEU 95.A O no hydrogen 2.666 N/A ALA 109.A N LEU 95.A O no hydrogen 3.480 N/A VAL 112.A N VAL 115.A O no hydrogen 3.311 N/A VAL 115.A N VAL 112.A O no hydrogen 2.985 N/A PHE 117.A N THR 110.A O no hydrogen 2.917 N/A LYS 118.A N ASP 136.A OD1 no hydrogen 3.389 N/A LYS 118.A N ASP 136.A OD2 no hydrogen 3.135 N/A LYS 118.A NZ ASP 142.A OD2 no hydrogen 3.415 N/A TRP 119.A N ASP 136.A OD1 no hydrogen 2.656 N/A TYR 121.A N THR 135.A O no hydrogen 2.968 N/A ALA 122.A N THR 135.A OG1 no hydrogen 3.234 N/A VAL 123.A N ASP 76.A OD2 no hydrogen 2.835 N/A THR 124.A N TYR 133.A O no hydrogen 2.847 N/A THR 124.A OG1 GLU 183.A OE2 no hydrogen 2.582 N/A VAL 125.A N SER 78.A OG no hydrogen 3.245 N/A ASP 126.A N ILE 131.A O no hydrogen 2.886 N/A GLN 127.A NE2 TYR 79.A O no hydrogen 2.994 N/A GLN 127.A NE2 VAL 125.A O no hydrogen 3.530 N/A ARG 128.A N ASP 126.A OD1 no hydrogen 3.133 N/A GLY 130.A N ASP 126.A O no hydrogen 2.716 N/A ILE 131.A N THR 129.A OG1 no hydrogen 3.235 N/A VAL 132.A N TYR 162.A O no hydrogen 2.993 N/A TYR 133.A N THR 124.A O no hydrogen 2.940 N/A PHE 134.A N ILE 160.A O no hydrogen 2.898 N/A THR 135.A N ALA 122.A O no hydrogen 2.995 N/A THR 135.A OG1 PRO 179.A O no hydrogen 3.222 N/A ASP 136.A N ARG 158.A O no hydrogen 3.009 N/A VAL 137.A N TRP 119.A O no hydrogen 2.936 N/A SER 138.A OG ASP 154.A OD2 no hydrogen 2.762 N/A SER 138.A OG THR 156.A OG1 no hydrogen 3.411 N/A THR 139.A N THR 156.A OG1 no hydrogen 2.964 N/A LEU 140.A N SER 138.A OG no hydrogen 2.934 N/A TYR 141.A N SER 138.A OG no hydrogen 2.978 N/A ARG 144.A N ASP 142.A OD1 no hydrogen 3.035 N/A ARG 144.A NH2 ASP 142.A OD2 no hydrogen 2.813 N/A GLY 145.A N ASP 142.A O no hydrogen 2.860 N/A GLN 147.A NE2 ASP 151.A OD1 no hydrogen 3.226 N/A ILE 149.A N GLY 145.A O no hydrogen 3.096 N/A MET 150.A N VAL 146.A O no hydrogen 3.118 N/A ASP 151.A N GLN 147.A O no hydrogen 2.880 N/A THR 152.A N GLN 148.A O no hydrogen 2.901 N/A THR 152.A OG1 GLN 148.A O no hydrogen 2.690 N/A SER 153.A N MET 150.A O no hydrogen 3.368 N/A SER 153.A OG HIS 177.A NE2 no hydrogen 2.728 N/A ASP 154.A N ILE 149.A O no hydrogen 2.917 N/A LYS 155.A NZ GLU 175.A O no hydrogen 3.284 N/A THR 156.A OG1 THR 139.A OG1 no hydrogen 3.402 N/A THR 156.A OG1 ASP 154.A OD1 no hydrogen 2.888 N/A THR 156.A OG1 ASP 154.A OD2 no hydrogen 3.199 N/A GLY 157.A N LEU 176.A O no hydrogen 2.964 N/A ARG 158.A N ASP 136.A O no hydrogen 2.838 N/A ARG 158.A NH1 VAL 115.A O no hydrogen 3.056 N/A ARG 158.A NH2 VAL 115.A O no hydrogen 3.555 N/A ARG 158.A NH2 PRO 116.A O no hydrogen 3.024 N/A ARG 158.A NH2 ASP 136.A OD2 no hydrogen 2.780 N/A LEU 159.A N LEU 173.A O no hydrogen 2.894 N/A ILE 160.A N PHE 134.A O no hydrogen 2.872 N/A LYS 161.A N THR 170.A O no hydrogen 2.870 N/A TYR 162.A N VAL 132.A O no hydrogen 2.791 N/A ASP 163.A N GLU 168.A O no hydrogen 3.214 N/A SER 165.A N ASP 163.A OD1 no hydrogen 2.992 N/A SER 165.A OG ASP 163.A OD1 no hydrogen 2.478 N/A THR 166.A N ASP 163.A OD1 no hydrogen 3.403 N/A THR 166.A OG1 ASP 163.A O no hydrogen 3.542 N/A LYS 167.A N ASP 163.A O no hydrogen 2.708 N/A GLU 168.A N THR 166.A OG1 no hydrogen 3.169 N/A THR 170.A N LYS 161.A O no hydrogen 2.872 N/A LEU 172.A N LEU 159.A O no hydrogen 2.814 N/A LEU 173.A N LEU 159.A O no hydrogen 3.184 N/A LEU 176.A N GLY 157.A O no hydrogen 2.907 N/A HIS 177.A N GLU 195.A OE1 no hydrogen 2.817 N/A HIS 177.A ND1 SER 198.A OG no hydrogen 2.682 N/A HIS 177.A NE2 SER 153.A O no hydrogen 2.969 N/A HIS 177.A NE2 SER 153.A OG no hydrogen 2.728 N/A VAL 178.A N LEU 176.A O no hydrogen 3.116 N/A GLY 180.A N ALA 194.A O no hydrogen 3.222 N/A GLU 183.A N LEU 192.A O no hydrogen 3.079 N/A VAL 184.A N GLU 183.A OE2 no hydrogen 2.835 N/A SER 185.A N PHE 190.A O no hydrogen 2.979 N/A SER 185.A OG ASP 187.A OD1 no hydrogen 2.756 N/A SER 185.A OG PHE 190.A O no hydrogen 3.318 N/A SER 188.A N SER 185.A O no hydrogen 3.339 N/A SER 188.A OG ASP 126.A OD1 no hydrogen 3.144 N/A SER 188.A OG ASP 126.A OD2 no hydrogen 2.744 N/A SER 189.A N SER 185.A OG no hydrogen 3.024 N/A SER 189.A N ASP 187.A OD1 no hydrogen 2.978 N/A SER 189.A OG ASP 187.A OD1 no hydrogen 2.628 N/A SER 189.A OG ASP 187.A OD2 no hydrogen 3.277 N/A PHE 190.A N SER 185.A OG no hydrogen 3.208 N/A VAL 191.A N TYR 204.A O no hydrogen 2.843 N/A LEU 192.A N GLU 183.A O no hydrogen 2.745 N/A VAL 193.A N VAL 202.A O no hydrogen 2.874 N/A ALA 194.A N GLY 181.A O no hydrogen 2.981 N/A GLU 195.A N GLN 200.A O no hydrogen 2.910 N/A PHE 196.A N VAL 178.A O no hydrogen 3.038 N/A LEU 197.A N HIS 177.A O no hydrogen 3.234 N/A SER 198.A N GLU 195.A O no hydrogen 3.095 N/A SER 198.A OG HIS 177.A ND1 no hydrogen 2.682 N/A GLN 200.A NE2 GLU 195.A OE2 no hydrogen 2.839 N/A ILE 201.A N VAL 218.A O no hydrogen 2.896 N/A VAL 202.A N VAL 193.A O no hydrogen 2.723 N/A LYS 203.A N GLU 215.A O no hydrogen 2.761 N/A LYS 203.A NZ GLU 259.A O no hydrogen 2.886 N/A TYR 204.A N VAL 191.A O no hydrogen 2.787 N/A TRP 205.A N THR 213.A O no hydrogen 3.005 N/A LEU 206.A N SER 189.A O no hydrogen 2.739 N/A GLU 207.A N SER 189.A O no hydrogen 3.119 N/A LYS 211.A N GLY 208.A O no hydrogen 3.100 N/A GLY 212.A N TRP 205.A O no hydrogen 2.935 N/A THR 213.A N LYS 210.A O no hydrogen 2.981 N/A THR 213.A OG1 LYS 210.A O no hydrogen 2.559 N/A GLU 215.A N LYS 203.A O no hydrogen 2.973 N/A LEU 217.A N ILE 201.A O no hydrogen 2.827 N/A LYS 219.A NZ SER 198.A O no hydrogen 3.024 N/A ILE 220.A N HIS 199.A O no hydrogen 2.927 N/A ASN 222.A N HIS 199.A ND1 no hydrogen 3.018 N/A GLY 224.A N SER 237.A O no hydrogen 2.861 N/A ASN 225.A N GLU 279.A O no hydrogen 2.891 N/A LYS 227.A N TRP 235.A O no hydrogen 2.908 N/A LYS 227.A NZ ASP 76.A OD2 no hydrogen 3.384 N/A LYS 227.A NZ VAL 123.A O no hydrogen 3.227 N/A LYS 227.A NZ ILE 226.A O no hydrogen 3.279 N/A ARG 228.A N GLU 183.A OE1 no hydrogen 2.856 N/A ARG 228.A NH1 VAL 184.A O no hydrogen 2.733 N/A ASN 229.A N HIS 233.A O no hydrogen 2.856 N/A ASN 229.A ND2 GLU 283.A OE1 no hydrogen 2.948 N/A GLY 232.A N ASN 229.A O no hydrogen 2.997 N/A HIS 233.A N ASN 229.A OD1 no hydrogen 2.914 N/A PHE 234.A N PHE 257.A O no hydrogen 2.843 N/A TRP 235.A N LYS 227.A O no hydrogen 2.991 N/A TRP 235.A NE1 GLU 283.A OE1 no hydrogen 2.808 N/A VAL 236.A N ILE 255.A O no hydrogen 2.850 N/A SER 237.A N ASN 225.A O no hydrogen 3.385 N/A SER 237.A OG PHE 278.A O no hydrogen 3.436 N/A SER 237.A OG GLU 279.A O no hydrogen 2.911 N/A SER 238.A N LYS 253.A O no hydrogen 2.901 N/A SER 238.A OG PRO 221.A O no hydrogen 2.500 N/A SER 239.A N ASN 222.A O no hydrogen 2.999 N/A SER 239.A OG PHE 278.A O no hydrogen 3.014 N/A GLU 241.A N ASN 222.A OD1 no hydrogen 2.873 N/A LEU 242.A N ARG 249.A O no hydrogen 3.005 N/A GLY 244.A N GLU 241.A O no hydrogen 3.216 N/A ASN 245.A ND2 ASP 243.A O no hydrogen 3.519 N/A HIS 247.A N ASN 245.A OD1 no hydrogen 3.068 N/A HIS 247.A NE2 GLN 147.A OE1 no hydrogen 3.150 N/A GLY 248.A N ASN 245.A O no hydrogen 3.238 N/A ARG 249.A N ASP 243.A OD2 no hydrogen 3.151 N/A ARG 249.A NE ASP 243.A OD1 no hydrogen 3.357 N/A ARG 249.A NH2 ASP 243.A OD1 no hydrogen 2.787 N/A ASP 251.A N GLU 240.A O no hydrogen 2.987 N/A LYS 253.A N SER 238.A O no hydrogen 3.000 N/A LYS 253.A NZ GLU 240.A OE1 no hydrogen 3.376 N/A LYS 253.A NZ ASP 251.A O no hydrogen 3.535 N/A GLY 254.A N ILE 267.A O no hydrogen 2.820 N/A ILE 255.A N VAL 236.A O no hydrogen 3.014 N/A LYS 256.A N GLU 265.A O no hydrogen 2.924 N/A LYS 256.A NZ TYR 303.A OH no hydrogen 3.364 N/A PHE 257.A N PHE 234.A O no hydrogen 2.839 N/A ASP 258.A N ASN 262.A O no hydrogen 3.103 N/A PHE 260.A N ASP 258.A OD1 no hydrogen 3.003 N/A GLY 261.A N ASP 258.A O no hydrogen 2.879 N/A ASN 262.A N ASP 258.A OD1 no hydrogen 2.831 N/A ASN 262.A ND2 ASP 258.A OD1 no hydrogen 3.252 N/A ASN 262.A ND2 ASP 258.A OD2 no hydrogen 2.969 N/A LEU 264.A N LYS 256.A O no hydrogen 2.718 N/A GLU 265.A N LYS 256.A O no hydrogen 3.364 N/A ILE 267.A N GLY 254.A O no hydrogen 2.802 N/A LEU 269.A N PRO 252.A O no hydrogen 3.285 N/A PHE 273.A N PRO 270.A O no hydrogen 2.985 N/A ALA 274.A N PRO 270.A O no hydrogen 3.252 N/A GLU 276.A N PHE 273.A O no hydrogen 3.213 N/A HIS 277.A N GLU 276.A OE2.B no hydrogen 3.001 N/A HIS 277.A NE2 GLU 241.A OE1 no hydrogen 3.184 N/A PHE 278.A N SER 239.A OG no hydrogen 3.032 N/A GLU 279.A N GLY 291.A O no hydrogen 2.922 N/A GLN 280.A N GLY 291.A O no hydrogen 3.299 N/A GLN 280.A NE2 ASN 225.A OD1 no hydrogen 3.503 N/A GLN 282.A N TYR 289.A O no hydrogen 3.002 N/A GLN 282.A NE2 PHE 16.A O no hydrogen 2.927 N/A GLN 282.A NE2 GLN 280.A OE1 no hydrogen 2.825 N/A HIS 284.A N LEU 287.A O no hydrogen 2.893 N/A HIS 284.A NE2 ASN 22.A OD1 no hydrogen 2.473 N/A LEU 287.A N HIS 284.A O no hydrogen 3.001 N/A LEU 288.A N LEU 301.A O no hydrogen 2.860 N/A TYR 289.A N GLN 282.A O no hydrogen 2.759 N/A ILE 290.A N GLY 299.A O no hydrogen 2.782 N/A GLY 291.A N GLN 280.A O no hydrogen 3.020 N/A THR 292.A N PRO 13.A O no hydrogen 3.180 N/A THR 292.A OG1 HIS 295.A ND1 no hydrogen 3.099 N/A PHE 294.A N THR 292.A OG1 no hydrogen 3.070 N/A HIS 295.A ND1 THR 292.A OG1 no hydrogen 3.099 N/A HIS 295.A NE2 PRO 272.A O no hydrogen 3.135 N/A VAL 298.A N ILE 6.A O no hydrogen 2.827 N/A ILE 300.A N ILE 4.A O no hydrogen 2.769 N/A LEU 301.A N LEU 288.A O no hydrogen 2.883 N/A VAL 302.A N LYS 2.A O no hydrogen 2.914 N/A TYR 303.A N GLY 286.A O no hydrogen 3.203 N/A TYR 303.A OH GLU 265.A OE1 no hydrogen 2.658 N/A