Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6gu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N GLN 75.A OE1 no hydrogen 3.430 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 3.024 N/A ASP 6.A N SER 3.A O no hydrogen 3.003 N/A TYR 7.A N MET 4.A O no hydrogen 3.296 N/A TYR 7.A OH ASP 71.A OD2 no hydrogen 2.935 N/A THR 8.A N ARG 25.A O no hydrogen 3.026 N/A ILE 10.A N LYS 23.A O no hydrogen 2.819 N/A ILE 13.A N VAL 21.A O no hydrogen 2.778 N/A GLY 14.A N VAL 21.A O no hydrogen 3.320 N/A GLY 16.A N GLY 19.A O no hydrogen 2.950 N/A VAL 21.A N GLY 14.A O no hydrogen 2.732 N/A TYR 22.A N MET 35.A O no hydrogen 2.945 N/A LYS 23.A N GLU 11.A O no hydrogen 2.660 N/A GLY 24.A N VAL 33.A O no hydrogen 2.847 N/A ARG 25.A N THR 8.A O no hydrogen 3.174 N/A HIS 26.A N GLN 31.A O no hydrogen 3.037 N/A LYS 27.A N ASP 6.A O no hydrogen 2.944 N/A LYS 27.A NZ GLU 5.A O no hydrogen 3.192 N/A GLN 31.A N THR 29.A OG1 no hydrogen 3.259 N/A VAL 33.A N GLY 24.A O no hydrogen 2.824 N/A ALA 34.A N PHE 83.A O no hydrogen 2.997 N/A MET 35.A N TYR 22.A O no hydrogen 2.833 N/A LYS 36.A N LEU 81.A O no hydrogen 2.899 N/A LYS 36.A NZ GLU 54.A OE1 no hydrogen 3.061 N/A LYS 36.A NZ GLU 54.A OE2 no hydrogen 2.984 N/A LYS 36.A NZ ASP 149.A OD1 no hydrogen 3.449 N/A LYS 37.A N VAL 20.A O no hydrogen 2.938 N/A ILE 38.A N LEU 79.A O no hydrogen 2.966 N/A ARG 39.A N TYR 18.A O no hydrogen 3.154 N/A GLU 44.A N SER 42.A OG no hydrogen 3.039 N/A THR 50.A OG1 ILE 160.A O no hydrogen 3.256 N/A ILE 52.A N PRO 48.A O no hydrogen 3.134 N/A ARG 53.A N SER 49.A O no hydrogen 2.986 N/A ARG 53.A NH1 PRO 159.A O no hydrogen 2.812 N/A GLU 54.A N THR 50.A O no hydrogen 3.068 N/A ILE 55.A N ALA 51.A O no hydrogen 2.963 N/A SER 56.A N ILE 52.A O no hydrogen 3.179 N/A LEU 57.A N ARG 53.A O no hydrogen 3.041 N/A LEU 58.A N GLU 54.A O no hydrogen 2.984 N/A LYS 59.A N ILE 55.A O no hydrogen 2.929 N/A GLU 60.A N SER 56.A O no hydrogen 3.440 N/A GLU 60.A N LEU 57.A O no hydrogen 2.960 N/A LEU 61.A N LEU 58.A O no hydrogen 3.333 N/A ARG 62.A NH1 LYS 59.A O no hydrogen 2.982 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 3.027 N/A ASN 65.A ND2 ILE 145.A O no hydrogen 3.202 N/A ILE 66.A N HIS 63.A O no hydrogen 3.208 N/A VAL 67.A N LEU 147.A O no hydrogen 2.852 N/A SER 68.A N GLU 84.A OE2 no hydrogen 3.021 N/A GLN 70.A N ILE 82.A O no hydrogen 2.755 N/A ASP 71.A N ILE 82.A O no hydrogen 3.150 N/A VAL 72.A N ASP 71.A OD1 no hydrogen 2.861 N/A LEU 73.A N TYR 80.A O no hydrogen 2.824 N/A GLN 75.A N ARG 78.A O no hydrogen 3.238 N/A ARG 78.A N GLN 75.A O no hydrogen 2.902 N/A TYR 80.A N LEU 73.A O no hydrogen 2.786 N/A LEU 81.A N LYS 36.A O no hydrogen 2.761 N/A ILE 82.A N ASP 71.A O no hydrogen 2.679 N/A PHE 83.A N ALA 34.A O no hydrogen 2.885 N/A GLU 84.A N SER 68.A O no hydrogen 3.118 N/A SER 87.A N ILE 139.A O no hydrogen 3.129 N/A SER 87.A OG ILE 139.A O no hydrogen 3.017 N/A MET 88.A N ILE 139.A O no hydrogen 3.501 N/A LEU 90.A N PRO 134.A O no hydrogen 2.925 N/A LYS 91.A NZ ASP 95.A OD1 no hydrogen 3.275 N/A LYS 92.A N ASP 89.A OD1 no hydrogen 2.800 N/A TYR 93.A N ASP 89.A O no hydrogen 3.353 N/A LEU 94.A N LEU 90.A O no hydrogen 3.063 N/A ASP 95.A N LYS 91.A O no hydrogen 2.721 N/A SER 96.A N LYS 92.A O no hydrogen 2.902 N/A SER 96.A OG LYS 92.A O no hydrogen 3.362 N/A SER 96.A OG TYR 93.A O no hydrogen 2.473 N/A ILE 97.A N LEU 94.A O no hydrogen 3.280 N/A GLN 101.A N PRO 98.A O no hydrogen 3.085 N/A SER 106.A N ASP 104.A OD1 no hydrogen 2.747 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.381 N/A LEU 107.A N ASP 104.A O no hydrogen 2.908 N/A VAL 108.A N ASP 104.A O no hydrogen 3.223 N/A LYS 109.A N SER 105.A O no hydrogen 3.311 N/A LYS 109.A NZ TYR 289.A O no hydrogen 2.315 N/A SER 110.A N SER 106.A O no hydrogen 3.180 N/A SER 110.A OG GLN 114.A OE1 no hydrogen 3.325 N/A TYR 111.A N LEU 107.A O no hydrogen 2.746 N/A LEU 112.A N VAL 108.A O no hydrogen 2.769 N/A TYR 113.A N LYS 109.A O no hydrogen 2.967 N/A GLN 114.A N SER 110.A O no hydrogen 2.900 N/A ILE 115.A N TYR 111.A O no hydrogen 3.006 N/A LEU 116.A N LEU 112.A O no hydrogen 3.030 N/A GLN 117.A N TYR 113.A O no hydrogen 3.067 N/A GLY 118.A N GLN 114.A O no hydrogen 2.869 N/A ILE 119.A N ILE 115.A O no hydrogen 2.925 N/A VAL 120.A N LEU 116.A O no hydrogen 2.903 N/A PHE 121.A N GLN 117.A O no hydrogen 3.154 N/A CYS 122.A SG GLY 118.A O no hydrogen 3.440 N/A HIS 123.A N ILE 119.A O no hydrogen 2.807 N/A HIS 123.A NE2 ASP 189.A OD2 no hydrogen 2.991 N/A SER 124.A N VAL 120.A O no hydrogen 2.924 N/A SER 124.A OG VAL 120.A O no hydrogen 2.754 N/A ARG 125.A N CYS 122.A O no hydrogen 3.153 N/A ARG 125.A NH1 PHE 121.A O no hydrogen 2.832 N/A ARG 126.A N HIS 123.A O no hydrogen 3.188 N/A VAL 127.A N CYS 122.A O no hydrogen 2.868 N/A LEU 128.A N ARG 154.A O no hydrogen 2.745 N/A HIS 129.A N ASP 189.A OD2 no hydrogen 2.885 N/A HIS 129.A NE2 ALA 148.A O no hydrogen 2.950 N/A ARG 130.A N ASP 189.A OD1 no hydrogen 2.912 N/A ARG 130.A NE LEU 152.A O no hydrogen 2.641 N/A ARG 130.A NH1 TYR 184.A OH no hydrogen 2.895 N/A ARG 130.A NH2 LEU 152.A O no hydrogen 2.921 N/A ARG 130.A NH2 ALA 153.A O no hydrogen 3.409 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.237 N/A ASN 136.A N LYS 133.A O no hydrogen 3.009 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.554 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 3.550 N/A LEU 137.A N PRO 134.A O no hydrogen 3.269 N/A LEU 138.A N LYS 146.A O no hydrogen 2.893 N/A ILE 139.A N MET 88.A O no hydrogen 2.855 N/A ASP 140.A N THR 144.A O no hydrogen 3.359 N/A THR 144.A N ASP 140.A OD1 no hydrogen 2.734 N/A THR 144.A OG1 ASP 140.A OD1 no hydrogen 3.357 N/A THR 144.A OG1 ASP 140.A OD2 no hydrogen 2.837 N/A LYS 146.A N LEU 138.A O no hydrogen 2.680 N/A LYS 146.A NZ PRO 64.A O no hydrogen 3.340 N/A LYS 146.A NZ GLU 84.A OE1 no hydrogen 3.122 N/A LYS 146.A NZ GLU 84.A OE2 no hydrogen 2.857 N/A LEU 147.A N ASN 65.A O no hydrogen 2.874 N/A ALA 148.A N ASN 136.A O no hydrogen 2.946 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 3.322 N/A ALA 153.A N PHE 150.A O no hydrogen 3.168 N/A ARG 154.A N LEU 128.A O no hydrogen 2.785 N/A ARG 154.A NH2 TYR 184.A O no hydrogen 3.335 N/A ALA 155.A N ILE 158.A O no hydrogen 2.980 N/A PHE 156.A N ARG 126.A O no hydrogen 2.889 N/A ILE 158.A N ALA 155.A O no hydrogen 2.906 N/A ILE 160.A N ALA 153.A O no hydrogen 2.918 N/A ARG 161.A NH1 GLY 151.A O no hydrogen 2.588 N/A TYR 163.A OH ARG 130.A O no hydrogen 3.039 N/A THR 164.A OG1 GLU 166.A OE1 no hydrogen 2.722 N/A TRP 171.A NE1 GLY 209.A O no hydrogen 2.891 N/A TYR 172.A OH GLU 199.A OE1 no hydrogen 2.674 N/A TYR 172.A OH GLU 199.A OE2 no hydrogen 3.420 N/A ARG 173.A N LEU 170.A O no hydrogen 3.090 N/A GLU 176.A N GLU 176.A OE2 no hydrogen 2.952 N/A VAL 177.A N SER 174.A O no hydrogen 3.029 N/A LEU 178.A N SER 174.A O no hydrogen 3.191 N/A LEU 179.A N PRO 175.A O no hydrogen 2.825 N/A GLY 180.A N VAL 177.A O no hydrogen 3.015 N/A SER 181.A N GLU 176.A O no hydrogen 2.997 N/A SER 181.A OG ARG 183.A O no hydrogen 2.607 N/A ARG 183.A NH1 TYR 184.A O no hydrogen 3.536 N/A VAL 188.A N SER 185.A O no hydrogen 3.184 N/A TRP 191.A N PRO 187.A O no hydrogen 3.073 N/A SER 192.A N VAL 188.A O no hydrogen 3.396 N/A SER 192.A OG TYR 172.A O no hydrogen 2.683 N/A SER 192.A OG VAL 188.A O no hydrogen 3.076 N/A ILE 193.A N ASP 189.A O no hydrogen 3.051 N/A GLY 194.A N ILE 190.A O no hydrogen 2.774 N/A THR 195.A N TRP 191.A O no hydrogen 2.961 N/A THR 195.A OG1 SER 192.A O no hydrogen 2.850 N/A ILE 196.A N SER 192.A O no hydrogen 2.959 N/A PHE 197.A N ILE 193.A O no hydrogen 2.821 N/A ALA 198.A N GLY 194.A O no hydrogen 3.144 N/A GLU 199.A N THR 195.A O no hydrogen 3.354 N/A LEU 200.A N ILE 196.A O no hydrogen 2.731 N/A ALA 201.A N PHE 197.A O no hydrogen 2.910 N/A THR 202.A N ALA 198.A O no hydrogen 2.911 N/A THR 202.A N GLU 199.A O no hydrogen 3.265 N/A THR 202.A OG1 ALA 198.A O no hydrogen 3.414 N/A LYS 203.A N GLU 199.A O no hydrogen 2.727 N/A LYS 203.A NZ ILE 97.A O no hydrogen 3.200 N/A LYS 204.A N THR 202.A OG1 no hydrogen 3.037 N/A GLY 209.A N GLN 215.A OE1 no hydrogen 3.138 N/A ASP 210.A N ASP 214.A OD2 no hydrogen 2.711 N/A SER 211.A OG ASP 210.A OD1 no hydrogen 2.595 N/A ASP 214.A N SER 211.A OG no hydrogen 3.317 N/A GLN 215.A N SER 211.A O no hydrogen 2.882 N/A GLN 215.A NE2 TRP 171.A O no hydrogen 3.180 N/A GLN 215.A NE2 PHE 207.A O no hydrogen 3.109 N/A LEU 216.A N GLU 212.A O no hydrogen 2.996 N/A PHE 217.A N ILE 213.A O no hydrogen 3.059 N/A ARG 218.A N ASP 214.A O no hydrogen 2.892 N/A ARG 218.A NE ASP 214.A OD1 no hydrogen 3.302 N/A ARG 218.A NE ASP 214.A OD2 no hydrogen 2.955 N/A ILE 219.A N GLN 215.A O no hydrogen 3.058 N/A PHE 220.A N LEU 216.A O no hydrogen 2.745 N/A ARG 221.A N PHE 217.A O no hydrogen 2.750 N/A ALA 222.A N ARG 218.A O no hydrogen 3.201 N/A LEU 223.A N ILE 219.A O no hydrogen 2.908 N/A GLY 224.A N PHE 220.A O no hydrogen 2.769 N/A THR 225.A N TRP 247.A O no hydrogen 2.955 N/A THR 225.A OG1 PRO 245.A O no hydrogen 2.442 N/A ASN 228.A N GLU 235.A OE2 no hydrogen 2.779 N/A GLU 229.A N ASN 227.A OD1 no hydrogen 2.755 N/A VAL 230.A N ASN 227.A OD1 no hydrogen 3.332 N/A VAL 234.A N TRP 231.A O no hydrogen 3.233 N/A GLU 235.A N ASN 228.A OD1 no hydrogen 3.165 N/A SER 236.A N GLU 233.A O no hydrogen 3.164 N/A LEU 237.A N VAL 234.A O no hydrogen 2.947 N/A ASP 239.A N LEU 179.A O no hydrogen 3.065 N/A TYR 240.A N LEU 237.A O no hydrogen 3.295 N/A TYR 240.A OH PRO 226.A O no hydrogen 2.741 N/A PHE 244.A N LYS 241.A O no hydrogen 3.465 N/A LYS 246.A NZ ASN 242.A O no hydrogen 2.828 N/A TRP 247.A N THR 225.A OG1 no hydrogen 3.079 N/A VAL 256.A N LEU 252.A O no hydrogen 3.338 N/A ASN 258.A ND2 ALA 201.A O no hydrogen 2.772 N/A GLY 263.A N ASP 260.A OD1 no hydrogen 2.763 N/A LEU 264.A N ASP 260.A O no hydrogen 3.040 N/A ASP 265.A N GLU 261.A O no hydrogen 3.093 N/A LEU 266.A N ASN 262.A O no hydrogen 2.938 N/A LEU 267.A N GLY 263.A O no hydrogen 2.711 N/A SER 268.A N LEU 264.A O no hydrogen 2.847 N/A SER 268.A OG ASP 265.A O no hydrogen 3.088 N/A LYS 269.A N ASP 265.A O no hydrogen 3.138 N/A LYS 269.A NZ ASP 265.A OD1 no hydrogen 2.969 N/A MET 270.A N LEU 266.A O no hydrogen 3.019 N/A LEU 271.A N LEU 267.A O no hydrogen 3.180 N/A LEU 271.A N SER 268.A O no hydrogen 3.162 N/A TYR 273.A OH GLY 224.A O no hydrogen 2.746 N/A LYS 277.A N ASP 274.A O no hydrogen 3.116 N/A ARG 278.A N ASP 274.A O no hydrogen 2.958 N/A ARG 278.A NE ILE 272.A O no hydrogen 2.777 N/A ARG 278.A NH1 GLU 176.A OE1 no hydrogen 2.967 N/A ARG 278.A NH1 GLU 176.A OE2 no hydrogen 3.153 N/A ARG 278.A NH1 PRO 187.A O no hydrogen 3.185 N/A ARG 278.A NH2 GLU 176.A OE2 no hydrogen 3.038 N/A ARG 278.A NH2 ILE 272.A O no hydrogen 3.071 N/A ILE 279.A N LYS 269.A O no hydrogen 3.273 N/A MET 283.A N SER 280.A OG no hydrogen 2.960 N/A ALA 284.A N SER 280.A O no hydrogen 2.903 N/A LEU 285.A N GLY 281.A O no hydrogen 3.045 N/A LEU 285.A N LYS 282.A O no hydrogen 3.314 N/A ASN 286.A N MET 283.A O no hydrogen 2.896 N/A HIS 287.A N ALA 284.A O no hydrogen 3.237 N/A HIS 287.A NE2 ASP 265.A OD2 no hydrogen 2.700 N/A TYR 289.A N HIS 287.A ND1 no hydrogen 3.211 N/A PHE 290.A N HIS 287.A O no hydrogen 3.054 N/A ASN 291.A N PRO 288.A O no hydrogen 3.033 N/A