Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ule_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 7.A ND2 GLU 12.A OE1 no hydrogen 2.750 N/A ASN 8.A N GLY 114.A O no hydrogen 2.811 N/A ASN 8.A ND2 ASP 37.A OD2 no hydrogen 3.118 N/A ARG 9.A NH2 GLU 5.A OE2 no hydrogen 3.146 N/A ILE 11.A N ASN 8.A OD1 no hydrogen 2.851 N/A GLU 12.A N ASN 8.A O no hydrogen 3.195 N/A GLU 13.A N ARG 9.A O no hydrogen 2.862 N/A THR 14.A N ILE 10.A O no hydrogen 3.002 N/A THR 14.A OG1 ILE 10.A O no hydrogen 2.567 N/A LEU 15.A N ILE 11.A O no hydrogen 3.059 N/A ALA 16.A N GLU 12.A O no hydrogen 2.892 N/A LEU 17.A N GLU 13.A O no hydrogen 3.115 N/A LYS 18.A N THR 14.A O no hydrogen 3.230 N/A PHE 19.A N LEU 15.A O no hydrogen 2.815 N/A GLU 20.A N ALA 16.A O no hydrogen 2.928 N/A ASN 21.A N LEU 17.A O no hydrogen 3.168 N/A ASN 21.A ND2 LEU 17.A O no hydrogen 3.233 N/A ALA 22.A N LYS 18.A O no hydrogen 2.852 N/A ALA 23.A N PHE 19.A O no hydrogen 2.915 N/A ALA 24.A N GLU 20.A O no hydrogen 3.257 N/A ALA 24.A N ASN 21.A O no hydrogen 3.226 N/A GLY 25.A N ALA 22.A O no hydrogen 3.310 N/A ASN 26.A N ASN 21.A O no hydrogen 3.211 N/A ASN 26.A ND2 ASN 21.A OD1 no hydrogen 2.890 N/A VAL 31.A N ASN 47.A OD1 no hydrogen 2.841 N/A VAL 33.A N ILE 45.A O no hydrogen 3.024 N/A PHE 35.A N TYR 43.A O no hydrogen 3.437 N/A ASP 37.A N VAL 41.A O no hydrogen 3.134 N/A PHE 38.A N ASP 37.A OD1 no hydrogen 3.047 N/A LEU 42.A N SER 60.A O no hydrogen 3.177 N/A TYR 43.A N PHE 35.A O no hydrogen 2.766 N/A TYR 43.A OH ASP 37.A OD2 no hydrogen 2.362 N/A HIS 44.A N SER 58.A O no hydrogen 2.925 N/A HIS 44.A ND1 GLU 88.A OE2 no hydrogen 2.576 N/A HIS 44.A NE2 GLU 32.A OE2 no hydrogen 2.666 N/A ILE 45.A N VAL 33.A O no hydrogen 2.967 N/A SER 46.A N MET 56.A O no hydrogen 2.998 N/A ASN 47.A ND2 LYS 54.A O no hydrogen 2.554 N/A GLY 50.A N ASN 47.A O no hydrogen 2.895 N/A ASP 51.A N PRO 48.A O no hydrogen 3.153 N/A THR 53.A N ASP 51.A OD2 no hydrogen 2.838 N/A THR 53.A OG1 ASP 51.A OD1 no hydrogen 3.181 N/A THR 53.A OG1 ASP 51.A OD2 no hydrogen 2.668 N/A LYS 54.A N ASP 51.A O no hydrogen 3.169 N/A LYS 54.A NZ THR 53.A OG1 no hydrogen 3.323 N/A LYS 54.A NZ ASP 98.A OD1 no hydrogen 3.098 N/A VAL 55.A N TYR 97.A O no hydrogen 3.021 N/A MET 56.A N SER 46.A O no hydrogen 2.823 N/A VAL 57.A N LEU 95.A O no hydrogen 2.826 N/A SER 58.A N HIS 44.A O no hydrogen 2.875 N/A SER 58.A OG GLU 88.A OE1 no hydrogen 2.872 N/A SER 58.A OG SER 94.A OG no hydrogen 2.691 N/A ILE 59.A N VAL 93.A O no hydrogen 3.089 N/A SER 60.A N LEU 42.A O no hydrogen 2.741 N/A LEU 61.A N ASN 92.A OD1 no hydrogen 2.930 N/A LYS 62.A NZ ASP 148.A OD1 no hydrogen 3.031 N/A LYS 62.A NZ ASP 148.A OD2 no hydrogen 2.436 N/A TYR 64.A N LEU 61.A O no hydrogen 3.122 N/A TYR 64.A OH ASP 73.A OD1 no hydrogen 2.698 N/A GLU 66.A N PHE 63.A O no hydrogen 3.068 N/A GLN 68.A N TYR 64.A O no hydrogen 2.849 N/A GLN 68.A NE2 ASP 73.A OD1 no hydrogen 3.472 N/A GLN 68.A NE2 ASP 73.A OD2 no hydrogen 2.650 N/A ALA 69.A N LYS 65.A O no hydrogen 2.905 N/A HIS 70.A N LEU 67.A O no hydrogen 3.070 N/A ALA 72.A N LEU 67.A O no hydrogen 3.024 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.524 N/A LEU 75.A N GLY 71.A O no hydrogen 3.010 N/A LEU 76.A N ALA 72.A O no hydrogen 2.951 N/A LYS 77.A N ASP 73.A O no hydrogen 2.977 N/A LYS 77.A NZ GLY 81.A O no hydrogen 2.653 N/A ARG 78.A N GLU 74.A O no hydrogen 3.218 N/A VAL 79.A N LEU 75.A O no hydrogen 3.159 N/A TYR 80.A N LEU 76.A O no hydrogen 2.907 N/A TYR 80.A OH GLN 112.A O no hydrogen 2.472 N/A GLY 81.A N LYS 77.A O no hydrogen 2.823 N/A TYR 83.A N TYR 80.A O no hydrogen 2.829 N/A LEU 84.A N GLY 81.A O no hydrogen 3.128 N/A VAL 85.A N SER 94.A O no hydrogen 3.199 N/A GLU 88.A N SER 94.A OG no hydrogen 2.827 N/A TYR 91.A N GLU 88.A O no hydrogen 2.800 N/A ASN 92.A N ILE 59.A O no hydrogen 3.017 N/A VAL 93.A N ILE 59.A O no hydrogen 3.500 N/A SER 94.A OG SER 58.A OG no hydrogen 2.691 N/A LEU 95.A N VAL 57.A O no hydrogen 2.753 N/A LEU 96.A N TYR 83.A O no hydrogen 2.796 N/A TYR 97.A N VAL 55.A O no hydrogen 2.992 N/A LEU 99.A N THR 53.A O no hydrogen 2.813 N/A GLU 100.A N ASP 98.A OD1 no hydrogen 2.651 N/A ASN 101.A N ASP 98.A O no hydrogen 3.031 N/A SER 105.A OG SER 108.A OG no hydrogen 2.935 N/A LYS 106.A NZ PRO 103.A O no hydrogen 3.112 N/A LYS 106.A NZ ALA 104.A O no hydrogen 3.314 N/A SER 108.A N SER 105.A O no hydrogen 3.179 N/A SER 108.A OG SER 105.A OG no hydrogen 2.935 N/A VAL 110.A N LYS 106.A O no hydrogen 3.071 N/A HIS 111.A ND1 ASP 107.A O no hydrogen 3.028 N/A GLN 112.A N SER 108.A O no hydrogen 3.429 N/A ALA 113.A N ILE 109.A O no hydrogen 3.011 N/A GLY 114.A N VAL 110.A O no hydrogen 3.183 N/A MET 115.A N GLN 112.A O no hydrogen 3.121 N/A LEU 116.A N ALA 113.A O no hydrogen 2.841 N/A LYS 117.A NZ PHE 38.A O no hydrogen 3.402 N/A LYS 117.A NZ ASP 39.A OD2 no hydrogen 2.730 N/A ARG 118.A NE ASN 241.A OD1 no hydrogen 2.776 N/A ARG 118.A NH1 ASN 119.A OD1 no hydrogen 3.010 N/A ARG 118.A NH2 ASP 237.A O no hydrogen 3.433 N/A ARG 118.A NH2 ASP 237.A OD1 no hydrogen 2.825 N/A ASN 119.A N MET 115.A O no hydrogen 2.771 N/A ASN 119.A ND2 TYR 80.A OH no hydrogen 2.935 N/A ASN 119.A ND2 GLN 112.A OE1 no hydrogen 3.414 N/A CYS 120.A N LEU 116.A O no hydrogen 3.032 N/A CYS 120.A N LYS 117.A O no hydrogen 2.965 N/A CYS 120.A SG LEU 116.A O no hydrogen 3.398 N/A PHE 121.A N LYS 117.A O no hydrogen 3.334 N/A PHE 121.A N ARG 118.A O no hydrogen 3.111 N/A ALA 122.A N ARG 118.A O no hydrogen 2.938 N/A SER 123.A OG HIS 70.A O no hydrogen 3.054 N/A VAL 124.A N PHE 121.A O no hydrogen 3.251 N/A PHE 125.A N ALA 122.A O no hydrogen 3.051 N/A GLU 126.A N ALA 122.A O no hydrogen 3.030 N/A LYS 127.A N SER 123.A O no hydrogen 2.967 N/A LYS 127.A NZ HIS 70.A ND1 no hydrogen 2.905 N/A TYR 128.A OH ASN 140.A O no hydrogen 2.654 N/A PHE 129.A N PHE 125.A O no hydrogen 2.940 N/A GLN 130.A N GLU 126.A O no hydrogen 2.988 N/A PHE 131.A N LYS 127.A O no hydrogen 2.967 N/A GLN 132.A N TYR 128.A O no hydrogen 3.009 N/A GLN 132.A NE2 LYS 158.A O no hydrogen 3.288 N/A GLU 134.A N GLN 130.A O no hydrogen 3.141 N/A GLU 134.A N PHE 131.A O no hydrogen 2.607 N/A GLY 135.A N GLN 132.A O no hydrogen 3.212 N/A LYS 136.A N PHE 131.A O no hydrogen 3.371 N/A ARG 141.A NH2 LEU 209.A O no hydrogen 3.557 N/A ALA 142.A N VAL 154.A O no hydrogen 2.843 N/A ILE 144.A N MET 152.A O no hydrogen 2.892 N/A HIS 145.A N GLU 66.A OE1 no hydrogen 2.566 N/A HIS 145.A ND1 GLU 66.A OE1 no hydrogen 3.135 N/A HIS 145.A ND1 GLU 66.A OE2 no hydrogen 2.559 N/A TYR 146.A OH GLU 150.A OE1 no hydrogen 2.606 N/A GLU 150.A N ARG 147.A O no hydrogen 3.436 N/A THR 151.A N SER 166.A O no hydrogen 3.231 N/A MET 152.A N ILE 144.A O no hydrogen 2.876 N/A TYR 153.A N VAL 164.A O no hydrogen 2.763 N/A VAL 154.A N ALA 142.A O no hydrogen 3.040 N/A GLU 155.A N THR 162.A O no hydrogen 3.064 N/A SER 156.A OG TYR 128.A O no hydrogen 3.445 N/A LYS 157.A N ARG 160.A O no hydrogen 2.710 N/A LYS 157.A NZ GLU 155.A OE2 no hydrogen 3.453 N/A ARG 160.A N LYS 157.A O no hydrogen 3.194 N/A VAL 161.A N LEU 226.A O no hydrogen 2.859 N/A THR 162.A N GLU 155.A O no hydrogen 2.927 N/A THR 162.A OG1 GLU 155.A O no hydrogen 3.425 N/A VAL 163.A N PHE 224.A O no hydrogen 2.931 N/A VAL 164.A N TYR 153.A O no hydrogen 2.816 N/A PHE 165.A N ILE 222.A O no hydrogen 2.924 N/A SER 166.A N THR 151.A O no hydrogen 2.711 N/A THR 167.A N GLY 220.A O no hydrogen 2.815 N/A THR 167.A OG1 GLU 150.A OE1 no hydrogen 2.827 N/A THR 167.A OG1 HIS 251.A NE2 no hydrogen 2.910 N/A VAL 168.A N GLU 150.A OE2 no hydrogen 3.096 N/A PHE 169.A N ASN 218.A O no hydrogen 2.894 N/A LYS 170.A NZ ASP 149.A OD2 no hydrogen 2.783 N/A VAL 175.A N ASP 172.A O no hydrogen 3.389 N/A ILE 177.A N ASP 173.A O no hydrogen 3.206 N/A GLY 178.A N ASP 174.A O no hydrogen 2.921 N/A LYS 179.A N VAL 175.A O no hydrogen 2.764 N/A VAL 180.A N VAL 176.A O no hydrogen 3.111 N/A PHE 181.A N ILE 177.A O no hydrogen 3.351 N/A MET 182.A N GLY 178.A O no hydrogen 2.791 N/A GLN 183.A N LYS 179.A O no hydrogen 2.927 N/A GLN 183.A NE2 GLU 187.A OE2 no hydrogen 2.720 N/A GLU 184.A N VAL 180.A O no hydrogen 3.429 N/A PHE 185.A N PHE 181.A O no hydrogen 3.253 N/A LYS 186.A N MET 182.A O no hydrogen 2.759 N/A GLU 187.A N GLN 183.A O no hydrogen 3.209 N/A GLY 188.A N PHE 185.A O no hydrogen 3.014 N/A ARG 190.A N GLU 187.A O no hydrogen 2.974 N/A ALA 191.A N GLY 188.A O no hydrogen 2.599 N/A SER 192.A N GLY 188.A O no hydrogen 3.022 N/A ALA 195.A N SER 192.A O no hydrogen 3.059 N/A GLN 197.A N VAL 225.A O no hydrogen 3.431 N/A LEU 199.A N THR 223.A O no hydrogen 2.862 N/A SER 201.A N TYR 221.A O no hydrogen 3.003 N/A SER 201.A OG GLU 204.A O no hydrogen 2.390 N/A ARG 203.A N ILE 219.A O no hydrogen 3.307 N/A ARG 203.A NH1 ASP 217.A OD1 no hydrogen 3.295 N/A LEU 209.A N PRO 206.A O no hydrogen 3.340 N/A LYS 210.A N LEU 207.A O no hydrogen 2.837 N/A THR 211.A OG1 LYS 210.A O no hydrogen 2.617 N/A ASN 218.A ND2 PHE 169.A O no hydrogen 2.808 N/A ILE 219.A N GLY 216.A O no hydrogen 3.145 N/A GLY 220.A N THR 167.A O no hydrogen 2.660 N/A TYR 221.A N SER 201.A O no hydrogen 2.957 N/A TYR 221.A OH ALA 214.A O no hydrogen 2.256 N/A ILE 222.A N PHE 165.A O no hydrogen 3.002 N/A THR 223.A N LEU 199.A O no hydrogen 2.909 N/A PHE 224.A N VAL 163.A O no hydrogen 2.886 N/A VAL 225.A N GLN 197.A O no hydrogen 2.855 N/A LEU 226.A N VAL 161.A O no hydrogen 2.726 N/A HIS 230.A N PHE 227.A O no hydrogen 2.550 N/A THR 231.A N PHE 227.A O no hydrogen 2.964 N/A THR 231.A OG1 PHE 227.A O no hydrogen 3.363 N/A ASN 232.A N PRO 228.A O no hydrogen 2.831 N/A ASN 232.A ND2 PRO 228.A O no hydrogen 2.717 N/A SER 234.A N ASN 232.A OD1 no hydrogen 2.810 N/A ALA 235.A N ASN 232.A O no hydrogen 3.346 N/A ALA 235.A N ASN 232.A OD1 no hydrogen 3.227 N/A ARG 236.A N ASN 232.A O no hydrogen 2.833 N/A THR 239.A N ALA 235.A O no hydrogen 2.997 N/A THR 239.A OG1 HIS 230.A O no hydrogen 2.740 N/A THR 239.A OG1 ALA 235.A O no hydrogen 3.509 N/A ILE 240.A N ARG 236.A O no hydrogen 2.863 N/A ASN 241.A N ASP 237.A O no hydrogen 2.793 N/A LEU 242.A N ASN 238.A O no hydrogen 3.006 N/A LEU 242.A N THR 239.A O no hydrogen 3.071 N/A ILE 243.A N THR 239.A O no hydrogen 2.814 N/A HIS 244.A N ILE 240.A O no hydrogen 3.009 N/A THR 245.A N LEU 242.A O no hydrogen 2.766 N/A THR 245.A OG1 LEU 242.A O no hydrogen 2.808 N/A PHE 246.A N ILE 243.A O no hydrogen 3.284 N/A ARG 247.A NE GLU 150.A OE1 no hydrogen 2.636 N/A ARG 247.A NE GLU 150.A OE2 no hydrogen 3.339 N/A ARG 247.A NE THR 167.A OG1 no hydrogen 3.333 N/A ARG 247.A NH1 ASP 248.A OD1 no hydrogen 3.272 N/A ARG 247.A NH2 GLU 150.A OE2 no hydrogen 2.719 N/A TYR 249.A N THR 245.A O no hydrogen 2.843 N/A LEU 250.A N PHE 246.A O no hydrogen 2.883 N/A HIS 251.A N ARG 247.A O no hydrogen 3.327 N/A HIS 251.A NE2 THR 167.A OG1 no hydrogen 2.910 N/A TYR 252.A N ASP 248.A O no hydrogen 2.967 N/A TYR 252.A OH MET 1.A O no hydrogen 2.724 N/A HIS 253.A N TYR 249.A O no hydrogen 3.152 N/A HIS 253.A NE2 ILE 2.A O no hydrogen 2.653 N/A ILE 254.A N LEU 250.A O no hydrogen 3.079 N/A LYS 255.A N HIS 251.A O no hydrogen 3.004 N/A CYS 256.A N TYR 252.A O no hydrogen 2.982 N/A CYS 256.A SG TYR 252.A O no hydrogen 3.318 N/A SER 257.A N HIS 253.A O no hydrogen 2.829 N/A SER 257.A N ILE 254.A O no hydrogen 3.088 N/A LYS 258.A N ILE 254.A O no hydrogen 3.121 N/A LYS 258.A NZ ASP 174.A OD1 no hydrogen 2.947 N/A LYS 258.A NZ ASP 174.A OD2 no hydrogen 3.260 N/A ALA 259.A N LYS 255.A O no hydrogen 3.062 N/A TYR 260.A N CYS 256.A O no hydrogen 3.053 N/A ILE 261.A N SER 257.A O no hydrogen 2.985 N/A HIS 262.A N LYS 258.A O no hydrogen 2.946 N/A THR 263.A N ALA 259.A O no hydrogen 3.146 N/A THR 263.A OG1 TYR 260.A O no hydrogen 2.901 N/A ARG 264.A N TYR 260.A O no hydrogen 3.171 N/A MET 265.A N ILE 261.A O no hydrogen 2.811 N/A ARG 266.A N HIS 262.A O no hydrogen 2.884 N/A ALA 267.A N THR 263.A O no hydrogen 2.968 N/A LYS 268.A N ARG 264.A O no hydrogen 2.929 N/A THR 269.A N MET 265.A O no hydrogen 2.800 N/A THR 269.A OG1 MET 265.A O no hydrogen 2.983 N/A SER 270.A N ARG 266.A O no hydrogen 2.952 N/A ASP 271.A N ALA 267.A O no hydrogen 2.983 N/A PHE 272.A N LYS 268.A O no hydrogen 3.025 N/A LEU 273.A N THR 269.A O no hydrogen 3.127 N/A LYS 274.A N SER 270.A O no hydrogen 3.266 N/A LYS 274.A N ASP 271.A O no hydrogen 3.196 N/A VAL 275.A N ASP 271.A O no hydrogen 3.255 N/A LEU 276.A N PHE 272.A O no hydrogen 2.852 N/A ASN 277.A N LEU 273.A O no hydrogen 3.057 N/A ASN 277.A ND2 LEU 273.A O no hydrogen 3.104 N/A ARG 278.A N VAL 275.A O no hydrogen 3.366 N/A ALA 279.A N LEU 276.A O no hydrogen 2.830 N/A