Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ra5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 6.A OD2 no hydrogen 3.104 N/A ASP 6.A N LYS 3.A O no hydrogen 3.114 N/A PHE 7.A N ILE 4.A O no hydrogen 2.887 N/A GLU 8.A N GLU 25.A O no hydrogen 2.719 N/A HIS 10.A N LEU 23.A O no hydrogen 2.955 N/A HIS 10.A NE2 GLU 25.A OE1 no hydrogen 2.759 N/A LEU 13.A N VAL 21.A O no hydrogen 2.874 N/A GLY 14.A N VAL 21.A O no hydrogen 3.129 N/A LYS 15.A NZ GLU 298.A OE2 no hydrogen 2.853 N/A GLY 16.A N GLY 19.A O no hydrogen 2.819 N/A GLY 19.A N GLY 16.A O no hydrogen 3.242 N/A LYS 20.A N ALA 37.A O no hydrogen 3.148 N/A LYS 20.A NZ ARG 301.A O no hydrogen 2.739 N/A VAL 21.A N GLY 14.A O no hydrogen 2.942 N/A PHE 22.A N ILE 35.A O no hydrogen 2.967 N/A LEU 23.A N LYS 11.A O no hydrogen 2.814 N/A ALA 24.A N PHE 33.A O no hydrogen 2.942 N/A GLU 25.A N GLU 8.A O no hydrogen 2.805 N/A PHE 26.A N GLN 31.A O no hydrogen 3.358 N/A LYS 27.A N ASP 6.A O no hydrogen 2.927 N/A THR 29.A N PHE 26.A O no hydrogen 3.014 N/A THR 29.A OG1 PHE 26.A O no hydrogen 2.659 N/A ASN 30.A N GLU 25.A OE2 no hydrogen 2.832 N/A PHE 33.A N ALA 24.A O no hydrogen 2.696 N/A ALA 34.A N MET 85.A O no hydrogen 2.944 N/A ILE 35.A N PHE 22.A O no hydrogen 2.964 N/A LYS 36.A N PHE 83.A O no hydrogen 3.111 N/A LYS 36.A NZ GLU 55.A OE1 no hydrogen 3.167 N/A LYS 36.A NZ GLU 55.A OE2 no hydrogen 2.706 N/A LYS 36.A NZ ASP 149.A OD1 no hydrogen 2.868 N/A ALA 37.A N LYS 20.A O no hydrogen 2.824 N/A LEU 38.A N LEU 81.A O no hydrogen 2.832 N/A LYS 39.A NZ GLU 79.A OE1 no hydrogen 2.733 N/A LYS 39.A NZ ASN 80.A OD1 no hydrogen 2.726 N/A LYS 40.A N GLU 79.A O no hydrogen 2.784 N/A LYS 40.A NZ GLN 76.A OE1 no hydrogen 2.643 N/A LYS 40.A NZ THR 77.A O no hydrogen 2.763 N/A VAL 42.A N ASP 41.A OD1 no hydrogen 2.776 N/A VAL 43.A N LYS 39.A O no hydrogen 3.077 N/A LEU 44.A N LYS 40.A O no hydrogen 2.828 N/A MET 45.A N ASP 41.A O no hydrogen 2.977 N/A ASP 46.A N VAL 42.A O no hydrogen 2.816 N/A ASP 47.A N LEU 44.A O no hydrogen 3.021 N/A ASP 48.A N VAL 43.A O no hydrogen 2.849 N/A CYS 51.A SG ASP 48.A OD1 no hydrogen 3.862 N/A THR 52.A N ASP 48.A O no hydrogen 2.955 N/A THR 52.A OG1 ASP 48.A O no hydrogen 2.753 N/A MET 53.A N VAL 49.A O no hydrogen 3.142 N/A VAL 54.A N GLU 50.A O no hydrogen 2.716 N/A GLU 55.A N CYS 51.A O no hydrogen 2.811 N/A LYS 56.A N THR 52.A O no hydrogen 3.034 N/A LYS 56.A NZ ASN 319.A O no hydrogen 2.956 N/A ARG 57.A N MET 53.A O no hydrogen 3.003 N/A ARG 57.A NE GLU 155.A OE2 no hydrogen 3.103 N/A ARG 57.A NH2 GLU 155.A OE1 no hydrogen 3.106 N/A ARG 57.A NH2 GLU 155.A OE2 no hydrogen 3.394 N/A VAL 58.A N VAL 54.A O no hydrogen 2.953 N/A LEU 59.A N GLU 55.A O no hydrogen 3.122 N/A SER 60.A N LYS 56.A O no hydrogen 3.114 N/A SER 60.A OG LYS 56.A O no hydrogen 2.863 N/A LEU 61.A N VAL 58.A O no hydrogen 2.951 N/A HIS 65.A N ALA 62.A O no hydrogen 3.426 N/A HIS 65.A NE2 GLU 270.A OE2 no hydrogen 3.004 N/A PHE 67.A N HIS 65.A ND1 no hydrogen 3.391 N/A THR 69.A N ILE 147.A O no hydrogen 2.959 N/A THR 69.A OG1 ILE 147.A O no hydrogen 3.355 N/A HIS 70.A N GLU 86.A OE2 no hydrogen 2.740 N/A HIS 70.A NE2 HIS 65.A O no hydrogen 2.796 N/A PHE 72.A N VAL 84.A O no hydrogen 2.961 N/A CYS 73.A N VAL 84.A O no hydrogen 3.401 N/A THR 74.A N PHE 321.A O no hydrogen 2.912 N/A THR 74.A OG1 PHE 320.A O no hydrogen 2.709 N/A PHE 75.A N PHE 82.A O no hydrogen 3.222 N/A GLN 76.A NE2 PHE 317.A O no hydrogen 2.655 N/A THR 77.A N ASN 80.A O no hydrogen 2.999 N/A ASN 80.A N THR 77.A OG1 no hydrogen 3.014 N/A LEU 81.A N LEU 38.A O no hydrogen 2.994 N/A PHE 82.A N PHE 75.A O no hydrogen 2.956 N/A PHE 83.A N LYS 36.A O no hydrogen 2.931 N/A VAL 84.A N CYS 73.A O no hydrogen 2.871 N/A MET 85.A N ALA 34.A O no hydrogen 2.675 N/A GLU 86.A N HIS 70.A O no hydrogen 3.144 N/A TYR 87.A OH ASP 287.A O no hydrogen 2.578 N/A ASN 89.A ND2 SER 284.A O no hydrogen 3.093 N/A ASN 89.A ND2 ASP 287.A O no hydrogen 3.328 N/A GLY 90.A N LEU 139.A O no hydrogen 3.011 N/A LEU 93.A N ILE 137.A O no hydrogen 3.046 N/A TYR 95.A N ASP 92.A OD2 no hydrogen 3.048 N/A HIS 96.A N ASP 92.A O no hydrogen 3.200 N/A HIS 96.A NE2 GLY 90.A O no hydrogen 2.703 N/A ILE 97.A N LEU 93.A O no hydrogen 2.787 N/A GLN 98.A N.A MET 94.A O no hydrogen 2.962 N/A GLN 98.A N.B MET 94.A O no hydrogen 2.974 N/A CYS 100.A N HIS 96.A O no hydrogen 3.496 N/A CYS 100.A SG HIS 96.A O no hydrogen 3.550 N/A CYS 100.A SG LYS 102.A O no hydrogen 3.253 N/A HIS 101.A N.A ILE 97.A O no hydrogen 2.673 N/A HIS 101.A N.B ILE 97.A O no hydrogen 2.638 N/A LYS 102.A N CYS 100.A O no hydrogen 2.760 N/A PHE 103.A N MET 199.A O no hydrogen 2.827 N/A ARG 107.A NE TYR 111.A OH no hydrogen 3.244 N/A ARG 107.A NH2 TYR 111.A OH no hydrogen 3.569 N/A ALA 108.A N ASP 104.A O no hydrogen 2.874 N/A THR 109.A N LEU 105.A O no hydrogen 2.918 N/A THR 109.A OG1 LEU 105.A O no hydrogen 2.588 N/A PHE 110.A N SER 106.A O no hydrogen 2.944 N/A TYR 111.A N ARG 107.A O no hydrogen 3.140 N/A ALA 112.A N ALA 108.A O no hydrogen 2.873 N/A ALA 113.A N THR 109.A O no hydrogen 2.932 N/A GLU 114.A N PHE 110.A O no hydrogen 2.999 N/A ILE 115.A N TYR 111.A O no hydrogen 2.922 N/A ILE 116.A N ALA 112.A O no hydrogen 2.985 N/A LEU 117.A N ALA 113.A O no hydrogen 3.256 N/A GLY 118.A N GLU 114.A O no hydrogen 3.077 N/A LEU 119.A N ILE 115.A O no hydrogen 2.739 N/A GLN 120.A N ILE 116.A O no hydrogen 2.906 N/A PHE 121.A N LEU 117.A O no hydrogen 3.258 N/A LEU 122.A N GLY 118.A O no hydrogen 3.276 N/A HIS 123.A N LEU 119.A O no hydrogen 2.863 N/A HIS 123.A NE2 ASP 188.A OD2 no hydrogen 2.909 N/A SER 124.A N GLN 120.A O no hydrogen 2.953 N/A SER 124.A OG GLN 120.A O no hydrogen 3.485 N/A SER 124.A OG PHE 121.A O no hydrogen 2.654 N/A LYS 125.A N PHE 121.A O no hydrogen 3.282 N/A LYS 125.A N LEU 122.A O no hydrogen 3.076 N/A GLY 126.A N HIS 123.A O no hydrogen 3.010 N/A ILE 127.A N LEU 122.A O no hydrogen 2.830 N/A VAL 128.A N LYS 154.A O no hydrogen 2.990 N/A TYR 129.A N ASP 188.A OD2 no hydrogen 2.781 N/A TYR 129.A OH ALA 148.A O no hydrogen 2.289 N/A ARG 130.A N ASP 188.A OD1 no hydrogen 2.635 N/A ARG 130.A NE MET 152.A O no hydrogen 3.091 N/A ARG 130.A NH1 GLU 165.A OE1 no hydrogen 3.145 N/A ARG 130.A NH2 MET 152.A O no hydrogen 3.234 N/A LYS 133.A NZ THR 169.A OG1 no hydrogen 3.282 N/A LEU 134.A N TYR 172.A OH no hydrogen 3.351 N/A ASN 136.A N LYS 133.A O no hydrogen 3.155 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.772 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 2.740 N/A ILE 137.A N LEU 134.A O no hydrogen 3.064 N/A LEU 138.A N LYS 146.A O no hydrogen 2.917 N/A LEU 139.A N GLY 91.A O no hydrogen 3.050 N/A ASP 140.A N HIS 144.A O no hydrogen 3.047 N/A LYS 141.A NZ ASP 142.A OD1 no hydrogen 3.567 N/A LYS 141.A NZ ASP 142.A OD2 no hydrogen 3.502 N/A ASP 142.A N ASP 140.A OD1 no hydrogen 2.827 N/A GLY 143.A N ASP 140.A O no hydrogen 3.105 N/A GLY 143.A N ASP 140.A OD1 no hydrogen 2.694 N/A HIS 144.A N ASP 140.A OD1 no hydrogen 3.101 N/A HIS 144.A ND1 GLU 114.A OE2 no hydrogen 2.706 N/A ILE 145.A N GLU 114.A OE1 no hydrogen 2.766 N/A LYS 146.A N LEU 138.A O no hydrogen 2.674 N/A LYS 146.A NZ PRO 66.A O no hydrogen 3.253 N/A LYS 146.A NZ LEU 68.A O no hydrogen 3.168 N/A LYS 146.A NZ GLU 86.A OE2 no hydrogen 2.786 N/A ILE 147.A N PHE 67.A O no hydrogen 2.942 N/A ALA 148.A N ASN 136.A O no hydrogen 2.926 N/A CYS 153.A N PHE 150.A O no hydrogen 3.035 N/A CYS 153.A SG PHE 150.A O no hydrogen 3.347 N/A LYS 154.A N VAL 128.A O no hydrogen 2.895 N/A LYS 154.A NZ GLU 165.A OE2 no hydrogen 2.986 N/A MET 157.A N GLY 126.A O no hydrogen 2.834 N/A THR 163.A N TYR 183.A O no hydrogen 2.941 N/A THR 163.A OG1 GLU 165.A OE1 no hydrogen 2.456 N/A ASN 164.A N THR 163.A OG1 no hydrogen 2.813 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.774 N/A CYS 167.A SG GLU 165.A O no hydrogen 3.775 N/A CYS 167.A SG TYR 183.A OH no hydrogen 3.869 N/A THR 169.A OG1 ASP 131.A OD1 no hydrogen 2.776 N/A TYR 172.A N THR 169.A O no hydrogen 2.785 N/A ILE 173.A N PRO 170.A O no hydrogen 3.349 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 3.056 N/A ILE 177.A N ALA 174.A O no hydrogen 3.145 N/A LEU 178.A N ALA 174.A O no hydrogen 3.233 N/A LEU 179.A N PRO 175.A O no hydrogen 2.845 N/A GLY 180.A N ILE 177.A O no hydrogen 3.054 N/A GLN 181.A N GLU 176.A O no hydrogen 2.893 N/A GLN 181.A NE2 LEU 179.A O no hydrogen 3.294 N/A TYR 183.A N THR 163.A O no hydrogen 2.902 N/A TYR 183.A OH GLU 165.A O no hydrogen 2.681 N/A SER 186.A N ASN 184.A OD1 no hydrogen 2.755 N/A SER 186.A OG GLU 176.A OE2 no hydrogen 2.628 N/A SER 186.A OG ASN 184.A OD1 no hydrogen 3.286 N/A ASP 188.A N HIS 185.A O no hydrogen 3.144 N/A TRP 189.A N SER 186.A O no hydrogen 2.967 N/A TRP 190.A N SER 186.A O no hydrogen 3.266 N/A SER 191.A N VAL 187.A O no hydrogen 2.990 N/A SER 191.A OG TYR 172.A O no hydrogen 2.763 N/A SER 191.A OG VAL 187.A O no hydrogen 3.521 N/A PHE 192.A N ASP 188.A O no hydrogen 2.754 N/A GLY 193.A N TRP 189.A O no hydrogen 3.074 N/A VAL 194.A N TRP 190.A O no hydrogen 3.045 N/A LEU 195.A N SER 191.A O no hydrogen 2.870 N/A LEU 196.A N PHE 192.A O no hydrogen 2.824 N/A TYR 197.A N GLY 193.A O no hydrogen 3.022 N/A TYR 197.A OH PHE 224.A O no hydrogen 2.506 N/A GLU 198.A N VAL 194.A O no hydrogen 3.006 N/A MET 199.A N LEU 195.A O no hydrogen 2.997 N/A LEU 200.A N LEU 196.A O no hydrogen 2.991 N/A ILE 201.A N TYR 197.A O no hydrogen 2.761 N/A GLY 202.A N GLU 198.A O no hydrogen 2.906 N/A SER 204.A OG GLU 198.A OE2 no hydrogen 2.823 N/A HIS 207.A N SER 217.A OG no hydrogen 3.373 N/A GLN 209.A N GLU 213.A OE1 no hydrogen 3.107 N/A GLU 213.A N ASP 210.A OD1 no hydrogen 2.824 N/A LEU 214.A N ASP 210.A O no hydrogen 3.053 N/A PHE 215.A N GLU 211.A O no hydrogen 2.660 N/A HIS 216.A N GLU 212.A O no hydrogen 3.174 N/A SER 217.A N GLU 213.A O no hydrogen 2.963 N/A SER 217.A OG ASP 221.A OD2 no hydrogen 2.913 N/A ILE 218.A N LEU 214.A O no hydrogen 3.046 N/A ARG 219.A N PHE 215.A O no hydrogen 2.957 N/A MET 220.A N SER 217.A O no hydrogen 3.295 N/A ASP 221.A N SER 217.A O no hydrogen 2.860 N/A LEU 229.A N PRO 226.A O no hydrogen 3.276 N/A GLU 232.A N GLU 230.A OE2 no hydrogen 3.435 N/A LYS 234.A N GLU 230.A O no hydrogen 3.110 N/A ASP 235.A N LYS 231.A O no hydrogen 3.030 N/A LEU 236.A N GLU 232.A O no hydrogen 3.030 N/A LEU 237.A N ALA 233.A O no hydrogen 3.245 N/A VAL 238.A N LYS 234.A O no hydrogen 2.831 N/A LYS 239.A N ASP 235.A O no hydrogen 2.939 N/A LYS 239.A NZ ASP 235.A OD1 no hydrogen 3.205 N/A LYS 239.A NZ ASP 235.A OD2 no hydrogen 2.818 N/A LEU 240.A N LEU 236.A O no hydrogen 2.859 N/A LEU 240.A N LEU 237.A O no hydrogen 3.228 N/A PHE 241.A N LEU 237.A O no hydrogen 2.860 N/A ARG 243.A NE ILE 218.A O no hydrogen 2.918 N/A ARG 243.A NH2 ILE 218.A O no hydrogen 3.286 N/A ARG 243.A NH2 ASP 221.A O no hydrogen 3.073 N/A LYS 247.A N GLU 244.A O no hydrogen 2.942 N/A LYS 247.A NZ GLU 244.A OE1 no hydrogen 2.730 N/A ARG 248.A N PRO 245.A O no hydrogen 3.052 N/A ARG 248.A NE VAL 242.A O no hydrogen 2.981 N/A ARG 248.A NH1 GLU 176.A OE1 no hydrogen 3.422 N/A ARG 248.A NH1 GLU 176.A OE2 no hydrogen 3.285 N/A ARG 248.A NH1 SER 186.A O no hydrogen 3.068 N/A ARG 248.A NH2 GLU 176.A OE1 no hydrogen 3.181 N/A ARG 248.A NH2 VAL 242.A O no hydrogen 2.999 N/A LEU 249.A N LYS 239.A O no hydrogen 3.180 N/A GLY 250.A N ARG 252.A O no hydrogen 3.185 N/A VAL 251.A N ARG 248.A O no hydrogen 2.973 N/A ARG 252.A N ARG 248.A O no hydrogen 3.031 N/A ARG 256.A N ASP 254.A OD1 no hydrogen 3.283 N/A ARG 256.A NE GLN 120.A OE1 no hydrogen 3.132 N/A ARG 256.A NH2 GLN 120.A OE1 no hydrogen 3.240 N/A GLN 257.A N.A ASP 254.A O no hydrogen 3.129 N/A GLN 257.A N.B ASP 254.A O no hydrogen 3.112 N/A HIS 258.A N ILE 255.A O no hydrogen 3.491 N/A HIS 258.A NE2 ASP 235.A OD2 no hydrogen 2.873 N/A LEU 260.A N HIS 258.A ND1 no hydrogen 3.296 N/A PHE 261.A N HIS 258.A O no hydrogen 2.889 N/A ARG 262.A N PRO 259.A O no hydrogen 3.003 N/A ILE 264.A N PHE 261.A O no hydrogen 2.990 N/A GLU 268.A N ASN 265.A OD1 no hydrogen 3.126 N/A LEU 269.A N ASN 265.A O no hydrogen 2.897 N/A GLU 270.A N TRP 266.A O no hydrogen 3.002 N/A ARG 271.A N GLU 267.A O no hydrogen 2.977 N/A ARG 271.A NE GLU 273.A OE1 no hydrogen 3.522 N/A ARG 271.A NE GLU 273.A OE2 no hydrogen 3.434 N/A LYS 272.A N LEU 269.A O no hydrogen 3.008 N/A LYS 272.A NZ PRO 66.A O no hydrogen 3.545 N/A GLU 273.A N GLU 268.A O no hydrogen 3.020 N/A ASP 287.A N SER 284.A O no hydrogen 3.240 N/A CYS 288.A SG TYR 87.A OH no hydrogen 3.486 N/A SER 289.A N ASP 287.A OD2 no hydrogen 3.193 N/A SER 289.A OG ASP 287.A OD1 no hydrogen 2.944 N/A SER 289.A OG ASP 287.A OD2 no hydrogen 2.809 N/A ASN 290.A ND2 ASN 89.A O no hydrogen 3.121 N/A ASN 290.A ND2 LYS 281.A O no hydrogen 3.114 N/A PHE 291.A N CYS 288.A O no hydrogen 3.171 N/A LYS 293.A NZ PHE 291.A O no hydrogen 3.399 N/A LEU 296.A N ASP 292.A O no hydrogen 3.389 N/A ASN 297.A N LYS 293.A O no hydrogen 2.869 N/A ASP 305.A N ASP 41.A OD2 no hydrogen 2.691 N/A LEU 308.A N ASP 305.A OD1 no hydrogen 3.173 N/A ILE 309.A N ASP 305.A O no hydrogen 2.963 N/A ASN 310.A N ARG 306.A O no hydrogen 3.180 N/A SER 311.A N ALA 307.A O no hydrogen 3.039 N/A SER 311.A OG ALA 307.A O no hydrogen 2.833 N/A MET 312.A N ILE 309.A O no hydrogen 3.181 N/A MET 316.A N ASP 313.A O no hydrogen 3.138 N/A PHE 321.A N THR 74.A O no hydrogen 3.248 N/A ASN 323.A N PHE 72.A O no hydrogen 3.199 N/A MET 326.A N ASN 323.A OD1 no hydrogen 2.986 N/A ARG 328.A N PRO 324.A O no hydrogen 3.391 N/A LEU 329.A N GLY 325.A O no hydrogen 3.424 N/A ILE 330.A N MET 326.A O no hydrogen 3.028 N/A SER 331.A N GLU 327.A O no hydrogen 3.307 N/A SER 331.A OG GLU 327.A O no hydrogen 3.097 N/A SER 331.A OG ARG 328.A O no hydrogen 3.103 N/A