Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ur3_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLU 270.A OE2 no hydrogen 3.288 N/A ARG 4.A NH1 GLU 13.A OE1 no hydrogen 2.569 N/A ARG 4.A NH1 GLU 75.A OE1 no hydrogen 3.243 N/A ARG 4.A NH2 GLU 75.A OE1 no hydrogen 3.358 N/A ILE 5.A N PHE 14.A O no hydrogen 2.727 N/A ILE 7.A N PRO 12.A O no hydrogen 3.124 N/A GLY 11.A N ALA 8.A O no hydrogen 2.745 N/A PHE 14.A N ILE 5.A O no hydrogen 2.767 N/A SER 15.A N THR 45.A OG1 no hydrogen 3.089 N/A SER 15.A OG PHE 17.A O no hydrogen 2.487 N/A ARG 16.A N GLN 3.A O no hydrogen 2.664 N/A ARG 16.A NH1 PRO 251.A O no hydrogen 2.239 N/A VAL 18.A N PRO 253.A O no hydrogen 3.166 N/A TYR 20.A N ASP 47.A O no hydrogen 2.975 N/A TYR 20.A OH HIS 38.A NE2 no hydrogen 2.843 N/A GLN 30.A N SER 27.A O no hydrogen 2.980 N/A GLN 30.A N SER 27.A OG no hydrogen 3.340 N/A LEU 31.A N SER 27.A O no hydrogen 2.958 N/A LEU 31.A N ALA 28.A O no hydrogen 3.271 N/A VAL 32.A N ALA 28.A O no hydrogen 3.117 N/A SER 33.A OG ARG 29.A O no hydrogen 2.826 N/A SER 33.A OG GLN 30.A O no hydrogen 3.015 N/A PHE 34.A N GLN 30.A O no hydrogen 3.047 N/A ILE 35.A N LEU 31.A O no hydrogen 2.755 N/A GLU 36.A N VAL 32.A O no hydrogen 3.236 N/A GLU 37.A N SER 33.A O no hydrogen 3.264 N/A HIS 38.A N PHE 34.A O no hydrogen 3.094 N/A HIS 38.A ND1 VAL 43.A O no hydrogen 2.752 N/A HIS 38.A NE2 TYR 20.A OH no hydrogen 2.843 N/A LEU 39.A N ILE 35.A O no hydrogen 2.669 N/A ASP 40.A N GLU 36.A O no hydrogen 2.700 N/A LEU 41.A N GLU 37.A O no hydrogen 3.178 N/A GLY 42.A N HIS 38.A O no hydrogen 3.264 N/A GLY 42.A N LEU 39.A O no hydrogen 3.207 N/A THR 44.A N SER 15.A OG no hydrogen 3.266 N/A THR 44.A OG1 GLU 75.A OE1 no hydrogen 3.200 N/A THR 44.A OG1 GLU 75.A OE2 no hydrogen 2.762 N/A THR 45.A OG1 GLU 75.A OE2 no hydrogen 2.638 N/A VAL 46.A N GLU 75.A O no hydrogen 2.888 N/A HIS 48.A N VAL 77.A O no hydrogen 2.629 N/A GLY 54.A N ILE 51.A O no hydrogen 3.160 N/A CYS 57.A N TYR 52.A O no hydrogen 3.473 N/A CYS 57.A SG TYR 20.A O no hydrogen 3.724 N/A CYS 57.A SG TRP 21.A O no hydrogen 3.878 N/A CYS 57.A SG TYR 52.A O no hydrogen 3.326 N/A ALA 60.A N GLN 56.A O no hydrogen 2.988 N/A PHE 61.A N CYS 57.A O no hydrogen 2.921 N/A GLY 62.A N GLU 58.A O no hydrogen 2.871 N/A GLU 63.A N ALA 59.A O no hydrogen 3.000 N/A ALA 64.A N ALA 60.A O no hydrogen 3.402 N/A LEU 65.A N PHE 61.A O no hydrogen 2.938 N/A LYS 66.A N GLY 62.A O no hydrogen 2.795 N/A LYS 66.A N GLU 63.A O no hydrogen 3.051 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.607 N/A LEU 67.A N ALA 64.A O no hydrogen 3.084 N/A LEU 71.A N ALA 68.A O no hydrogen 2.752 N/A ARG 72.A NH1 ARG 72.A O no hydrogen 3.559 N/A ARG 72.A NH1 ASP 119.A OD2 no hydrogen 3.337 N/A ARG 72.A NH2 HIS 117.A O no hydrogen 2.697 N/A ARG 72.A NH2 ASP 119.A OD2 no hydrogen 3.165 N/A ARG 74.A NH1 ASP 40.A OD2 no hydrogen 3.331 N/A ARG 74.A NH2 ASP 40.A OD2 no hydrogen 2.780 N/A ILE 76.A N ASP 119.A OD2 no hydrogen 2.427 N/A VAL 77.A N VAL 46.A O no hydrogen 2.907 N/A SER 78.A N LEU 120.A O no hydrogen 3.120 N/A SER 78.A OG GLU 58.A OE2 no hydrogen 2.624 N/A LYS 79.A NZ ASP 47.A OD1 no hydrogen 3.230 N/A LYS 79.A NZ ASP 47.A OD2 no hydrogen 3.060 N/A LYS 79.A NZ HIS 48.A O no hydrogen 3.330 N/A LYS 79.A NZ TYR 52.A OH no hydrogen 2.912 N/A LYS 79.A NZ GLN 175.A OE1 no hydrogen 3.367 N/A CYS 80.A N LEU 122.A O no hydrogen 3.043 N/A ALA 83.A N HIS 94.A O no hydrogen 2.994 N/A ARG 87.A N THR 84.A O no hydrogen 3.313 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.643 N/A ASN 90.A N ARG 87.A O no hydrogen 3.196 N/A ASN 90.A ND2 THR 84.A O no hydrogen 2.667 N/A HIS 94.A N ALA 83.A O no hydrogen 3.289 N/A HIS 94.A ND1 ILE 92.A O no hydrogen 2.890 N/A ILE 96.A N GLY 81.A O no hydrogen 2.974 N/A THR 97.A OG1 ASP 127.A OD2 no hydrogen 3.406 N/A ARG 99.A NE ASP 136.A OD1 no hydrogen 2.665 N/A ILE 102.A N ASP 98.A O no hydrogen 3.074 N/A ILE 103.A N ARG 99.A O no hydrogen 3.053 N/A LYS 104.A N ASP 100.A O no hydrogen 2.686 N/A SER 105.A N HIS 101.A O no hydrogen 2.882 N/A SER 105.A OG ASP 50.A OD1 no hydrogen 3.526 N/A SER 105.A OG HIS 101.A O no hydrogen 2.870 N/A ALA 106.A N ILE 102.A O no hydrogen 3.065 N/A GLU 107.A N ILE 103.A O no hydrogen 2.902 N/A GLN 108.A N LYS 104.A O no hydrogen 2.856 N/A SER 109.A N SER 105.A O no hydrogen 2.845 N/A SER 109.A N ALA 106.A O no hydrogen 2.718 N/A SER 109.A OG GLU 58.A OE1 no hydrogen 3.218 N/A SER 109.A OG GLU 58.A OE2 no hydrogen 3.068 N/A SER 109.A OG SER 105.A O no hydrogen 3.034 N/A LEU 110.A N ALA 106.A O no hydrogen 3.184 N/A ILE 111.A N GLU 107.A O no hydrogen 3.307 N/A ASN 112.A N GLN 108.A O no hydrogen 2.950 N/A ASN 112.A ND2 GLN 108.A OE1 no hydrogen 3.287 N/A LEU 113.A N SER 109.A O no hydrogen 2.679 N/A ALA 114.A N ILE 111.A O no hydrogen 3.006 N/A THR 115.A N LEU 110.A O no hydrogen 2.964 N/A THR 115.A OG1 LEU 113.A O no hydrogen 3.298 N/A HIS 117.A ND1 ASP 116.A OD2 no hydrogen 3.189 N/A LEU 118.A N LYS 146.A O no hydrogen 2.771 N/A LEU 120.A N ILE 76.A O no hydrogen 3.129 N/A LEU 121.A N HIS 149.A O no hydrogen 2.980 N/A LEU 122.A N SER 78.A O no hydrogen 3.019 N/A ILE 123.A N GLY 151.A O no hydrogen 3.109 N/A HIS 124.A N CYS 80.A O no hydrogen 2.561 N/A ASP 132.A N ASP 130.A OD2 no hydrogen 2.683 N/A GLU 133.A N ASP 130.A OD2 no hydrogen 3.086 N/A VAL 134.A N ASP 130.A O no hydrogen 3.062 N/A ALA 135.A N ALA 131.A O no hydrogen 2.854 N/A ASP 136.A N ASP 132.A O no hydrogen 2.847 N/A ASP 136.A N GLU 133.A O no hydrogen 3.141 N/A ALA 137.A N GLU 133.A O no hydrogen 3.006 N/A PHE 138.A N VAL 134.A O no hydrogen 2.868 N/A LYS 139.A N ALA 135.A O no hydrogen 3.118 N/A LYS 139.A NZ ALA 135.A O no hydrogen 2.939 N/A HIS 140.A N ASP 136.A O no hydrogen 3.324 N/A HIS 140.A N ALA 137.A O no hydrogen 3.073 N/A LEU 141.A N ALA 137.A O no hydrogen 3.074 N/A HIS 142.A N PHE 138.A O no hydrogen 2.909 N/A HIS 142.A ND1 VAL 147.A O no hydrogen 3.346 N/A GLN 143.A N LYS 139.A O no hydrogen 3.068 N/A SER 144.A OG HIS 140.A O no hydrogen 3.491 N/A SER 144.A OG LEU 141.A O no hydrogen 3.085 N/A GLY 145.A N HIS 142.A O no hydrogen 2.828 N/A VAL 147.A N LEU 141.A O no hydrogen 3.308 N/A ARG 148.A N LEU 118.A O no hydrogen 3.165 N/A GLY 151.A N LEU 121.A O no hydrogen 2.695 N/A VAL 152.A N THR 173.A O no hydrogen 3.155 N/A SER 153.A N ILE 123.A O no hydrogen 3.082 N/A SER 153.A OG GLN 175.A O no hydrogen 2.639 N/A ASN 154.A N GLN 175.A O no hydrogen 2.988 N/A PHE 155.A N ASN 174.A OD1 no hydrogen 3.105 N/A THR 156.A N GLN 159.A OE1 no hydrogen 3.093 N/A GLN 159.A N THR 156.A OG1 no hydrogen 3.280 N/A PHE 160.A N THR 156.A O no hydrogen 2.847 N/A ALA 161.A N PRO 157.A O no hydrogen 2.934 N/A LEU 162.A N ALA 158.A O no hydrogen 3.042 N/A LEU 163.A N GLN 159.A O no hydrogen 3.092 N/A GLN 164.A N PHE 160.A O no hydrogen 3.014 N/A SER 165.A N ALA 161.A O no hydrogen 2.968 N/A SER 165.A N LEU 162.A O no hydrogen 3.141 N/A SER 165.A OG LEU 162.A O no hydrogen 2.731 N/A ARG 166.A N LEU 163.A O no hydrogen 3.015 N/A ALA 172.A N PHE 150.A O no hydrogen 2.959 N/A THR 173.A OG1 ARG 200.A O no hydrogen 2.689 N/A ASN 174.A ND2 PHE 155.A O no hydrogen 2.912 N/A GLN 175.A N VAL 152.A O no hydrogen 2.992 N/A GLN 175.A NE2 ASP 47.A OD1 no hydrogen 3.449 N/A ILE 178.A N TRP 203.A O no hydrogen 3.388 N/A SER 179.A N HIS 182.A O no hydrogen 3.138 N/A HIS 182.A N SER 179.A O no hydrogen 2.847 N/A LEU 186.A N GLN 183.A O no hydrogen 2.931 N/A LEU 187.A N PRO 184.A O no hydrogen 2.947 N/A ASP 188.A N PRO 184.A O no hydrogen 3.290 N/A THR 190.A N ASP 188.A OD2 no hydrogen 2.913 N/A THR 190.A OG1 ASP 188.A OD2 no hydrogen 2.622 N/A ASP 192.A N GLY 189.A O no hydrogen 3.134 N/A GLN 193.A N GLY 189.A O no hydrogen 2.999 N/A LEU 194.A N THR 190.A O no hydrogen 3.379 N/A GLN 195.A N LEU 191.A O no hydrogen 2.992 N/A GLN 196.A N ASP 192.A O no hydrogen 2.816 N/A LEU 197.A N GLN 193.A O no hydrogen 2.948 N/A ARG 198.A N GLN 195.A O no hydrogen 3.173 N/A VAL 199.A N LEU 194.A O no hydrogen 2.943 N/A ARG 200.A N ILE 7.A O no hydrogen 2.684 N/A ARG 200.A NH1 THR 6.A O no hydrogen 3.067 N/A TRP 203.A N VAL 176.A O no hydrogen 3.024 N/A GLY 209.A N LEU 206.A O no hydrogen 3.272 N/A PHE 217.A N ASP 214.A O no hydrogen 3.006 N/A GLN 218.A N ASP 215.A O no hydrogen 3.175 N/A ARG 221.A N PHE 217.A O no hydrogen 3.030 N/A ASP 222.A N GLN 218.A O no hydrogen 2.714 N/A GLU 223.A N PRO 219.A O no hydrogen 3.128 N/A LEU 224.A N LEU 220.A O no hydrogen 2.833 N/A ALA 225.A N ARG 221.A O no hydrogen 3.068 N/A VAL 226.A N ASP 222.A O no hydrogen 3.312 N/A VAL 227.A N GLU 223.A O no hydrogen 3.132 N/A ALA 228.A N LEU 224.A O no hydrogen 3.253 N/A GLU 229.A N ALA 225.A O no hydrogen 3.384 N/A GLU 230.A N VAL 226.A O no hydrogen 2.978 N/A LEU 231.A N VAL 227.A O no hydrogen 2.922 N/A ASN 232.A N GLU 229.A O no hydrogen 2.843 N/A ALA 233.A N ALA 228.A O no hydrogen 2.898 N/A GLY 234.A N GLN 238.A OE1 no hydrogen 2.683 N/A GLN 238.A N SER 235.A O no hydrogen 2.883 N/A GLN 238.A NE2 ALA 265.A O no hydrogen 2.638 N/A VAL 239.A N SER 235.A O no hydrogen 3.202 N/A VAL 240.A N ILE 236.A O no hydrogen 3.058 N/A ASN 241.A N GLU 237.A O no hydrogen 3.063 N/A ASN 241.A ND2 GLU 237.A O no hydrogen 3.430 N/A ALA 242.A N GLN 238.A O no hydrogen 3.225 N/A TRP 243.A N VAL 239.A O no hydrogen 3.058 N/A TRP 243.A N VAL 240.A O no hydrogen 3.026 N/A VAL 244.A N VAL 240.A O no hydrogen 3.236 N/A LEU 245.A N ASN 241.A O no hydrogen 3.062 N/A ARG 246.A N ALA 242.A O no hydrogen 3.189 N/A ARG 246.A NH2 ARG 246.A O no hydrogen 2.662 N/A LEU 247.A N VAL 244.A O no hydrogen 3.025 N/A GLN 250.A N LEU 247.A O no hydrogen 2.887 N/A LEU 252.A N PRO 201.A O no hydrogen 2.661 N/A ILE 254.A N ALA 202.A O no hydrogen 2.658 N/A ILE 255.A N VAL 18.A O no hydrogen 2.852 N/A VAL 263.A N LYS 259.A O no hydrogen 2.896 N/A ARG 264.A N ILE 260.A O no hydrogen 2.636 N/A ALA 265.A N GLU 261.A O no hydrogen 2.972 N/A ALA 266.A N ARG 262.A O no hydrogen 2.858 N/A VAL 267.A N VAL 263.A O no hydrogen 3.103 N/A GLU 268.A N ARG 264.A O no hydrogen 2.954 N/A GLU 268.A N ALA 265.A O no hydrogen 3.208 N/A ALA 269.A N ALA 266.A O no hydrogen 3.013 N/A GLU 270.A N VAL 267.A O no hydrogen 3.341 N/A THR 271.A N GLU 268.A O no hydrogen 3.272 N/A THR 271.A OG1 GLU 268.A O no hydrogen 2.850 N/A GLN 277.A N THR 274.A OG1 no hydrogen 3.032 N/A GLN 277.A NE2 GLU 230.A OE1 no hydrogen 3.125 N/A TRP 278.A N THR 274.A O no hydrogen 2.876 N/A TRP 278.A NE1 TRP 243.A O no hydrogen 3.142 N/A PHE 279.A N ARG 275.A O no hydrogen 2.927 N/A ARG 280.A N GLN 276.A O no hydrogen 3.006 N/A ARG 280.A NH1 GLU 230.A OE1 no hydrogen 3.371 N/A ARG 280.A NH1 GLU 230.A OE2 no hydrogen 3.142 N/A ARG 280.A NH2 GLU 230.A OE2 no hydrogen 2.627 N/A ILE 281.A N GLN 277.A O no hydrogen 3.197 N/A ARG 282.A N TRP 278.A O no hydrogen 2.886 N/A ARG 282.A NH1 VAL 290.A O no hydrogen 3.519 N/A ARG 282.A NH2 ASP 289.A O no hydrogen 3.527 N/A ARG 282.A NH2 VAL 290.A O no hydrogen 3.429 N/A LYS 283.A N PHE 279.A O no hydrogen 2.638 N/A ALA 284.A N ARG 280.A O no hydrogen 3.197 N/A ALA 284.A N ILE 281.A O no hydrogen 2.967 N/A ALA 285.A N ILE 281.A O no hydrogen 3.318 N/A ALA 285.A N ARG 282.A O no hydrogen 3.099 N/A LEU 286.A N ARG 282.A O no hydrogen 3.276 N/A GLY 287.A N LYS 283.A O no hydrogen 2.618 N/A