Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mpx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLN 1.A O no hydrogen 3.050 N/A VAL 6.A N SER 2.A O no hydrogen 2.883 N/A ILE 7.A N ARG 3.A O no hydrogen 3.335 N/A ALA 8.A N ALA 4.A O no hydrogen 3.174 N/A GLN 9.A N LEU 5.A O no hydrogen 3.098 N/A GLU 10.A N VAL 6.A O no hydrogen 2.796 N/A LEU 11.A N ILE 7.A O no hydrogen 2.770 N/A LEU 12.A N ALA 8.A O no hydrogen 2.843 N/A SER 13.A N GLN 9.A O no hydrogen 2.973 N/A SER 13.A OG GLN 9.A O no hydrogen 2.797 N/A SER 13.A OG GLU 10.A O no hydrogen 3.254 N/A SER 14.A N GLU 10.A O no hydrogen 3.290 N/A SER 14.A OG GLU 10.A O no hydrogen 2.749 N/A SER 14.A OG LEU 11.A O no hydrogen 3.074 N/A GLU 15.A N LEU 11.A O no hydrogen 2.882 N/A LYS 16.A N LEU 12.A O no hydrogen 2.981 N/A ALA 17.A N SER 13.A O no hydrogen 3.264 N/A TYR 18.A N SER 14.A O no hydrogen 3.075 N/A TYR 18.A OH VAL 139.A O no hydrogen 2.697 N/A VAL 19.A N GLU 15.A O no hydrogen 2.885 N/A GLU 20.A N LYS 16.A O no hydrogen 2.966 N/A GLN 22.A N VAL 19.A O no hydrogen 2.967 N/A HIS 23.A N GLU 20.A O no hydrogen 3.320 N/A HIS 23.A ND1 GLU 20.A O no hydrogen 2.803 N/A ASN 25.A N LEU 21.A O no hydrogen 3.107 N/A ASN 25.A ND2 LEU 21.A O no hydrogen 2.770 N/A LEU 26.A N GLN 22.A O no hydrogen 3.083 N/A ASP 27.A N HIS 23.A O no hydrogen 2.904 N/A PHE 28.A N LEU 24.A O no hydrogen 2.688 N/A HIS 29.A N LEU 24.A O no hydrogen 3.042 N/A HIS 29.A ND1 LEU 52.A O no hydrogen 3.007 N/A GLY 30.A N ASN 25.A O no hydrogen 2.783 N/A VAL 32.A N PHE 28.A O no hydrogen 2.949 N/A ALA 34.A N ALA 31.A O no hydrogen 3.074 N/A LEU 35.A N VAL 32.A O no hydrogen 2.791 N/A ASP 37.A N ARG 33.A O no hydrogen 3.334 N/A ASP 37.A N ALA 34.A O no hydrogen 2.817 N/A HIS 39.A N ASP 37.A O no hydrogen 3.334 N/A ARG 45.A N ASP 41.A O no hydrogen 3.257 N/A GLU 46.A N THR 42.A O no hydrogen 2.839 N/A GLU 47.A N LEU 43.A O no hydrogen 3.056 N/A LEU 48.A N ALA 44.A O no hydrogen 2.854 N/A ARG 49.A N ARG 45.A O no hydrogen 2.773 N/A ARG 49.A NH1 ASP 38.A OD1 no hydrogen 3.283 N/A ARG 49.A NH2 ASP 36.A OD1 no hydrogen 3.229 N/A ARG 49.A NH2 ASP 38.A OD1 no hydrogen 3.366 N/A ARG 49.A NH2 ASP 38.A OD2 no hydrogen 2.688 N/A GLN 50.A N GLU 46.A O no hydrogen 3.075 N/A GLY 51.A N GLU 47.A O no hydrogen 3.153 N/A LEU 52.A N LEU 48.A O no hydrogen 2.893 N/A SER 53.A N GLN 50.A O no hydrogen 3.075 N/A SER 53.A OG GLN 50.A O no hydrogen 2.512 N/A SER 53.A OG GLN 50.A OE1 no hydrogen 3.489 N/A LEU 55.A N LEU 52.A O no hydrogen 3.419 N/A ILE 58.A N GLU 54.A O no hydrogen 2.927 N/A HIS 59.A N LEU 55.A O no hydrogen 2.913 N/A ASP 60.A N PRO 56.A O no hydrogen 2.995 N/A LEU 61.A N ALA 57.A O no hydrogen 3.190 N/A HIS 62.A N ILE 58.A O no hydrogen 3.048 N/A HIS 62.A ND1 GLU 15.A OE2 no hydrogen 2.819 N/A HIS 62.A NE2 HIS 96.A NE2 no hydrogen 2.785 N/A GLN 63.A N HIS 59.A O no hydrogen 2.804 N/A GLY 64.A N ASP 60.A O no hydrogen 3.139 N/A ILE 65.A N LEU 61.A O no hydrogen 3.148 N/A LEU 66.A N HIS 62.A O no hydrogen 2.910 N/A GLU 67.A N GLN 63.A O no hydrogen 3.121 N/A GLU 68.A N GLY 64.A O no hydrogen 3.008 N/A LEU 69.A N ILE 65.A O no hydrogen 2.752 N/A GLU 70.A N LEU 66.A O no hydrogen 2.744 N/A GLU 71.A N GLU 67.A O no hydrogen 3.351 N/A ARG 72.A N GLU 68.A O no hydrogen 2.977 N/A ARG 72.A NE LYS 81.A O no hydrogen 2.991 N/A LEU 73.A N LEU 69.A O no hydrogen 3.115 N/A SER 74.A N GLU 71.A O no hydrogen 3.248 N/A SER 74.A OG GLU 70.A O no hydrogen 2.951 N/A ASN 75.A N GLU 71.A O no hydrogen 3.314 N/A SER 78.A N ASN 75.A O no hydrogen 3.425 N/A GLN 79.A N ASN 75.A O no hydrogen 3.217 N/A GLN 80.A NE2 TRP 76.A O no hydrogen 2.977 N/A VAL 82.A N GLU 163.A OE1 no hydrogen 2.697 N/A ALA 83.A N GLU 163.A OE1 no hydrogen 2.980 N/A VAL 85.A N VAL 82.A O no hydrogen 3.023 N/A PHE 86.A N ALA 83.A O no hydrogen 2.794 N/A ALA 88.A N ASP 84.A O no hydrogen 3.072 N/A ARG 89.A N PHE 86.A O no hydrogen 2.930 N/A ARG 89.A NH2 VAL 85.A O no hydrogen 3.112 N/A PHE 93.A N ARG 89.A O no hydrogen 3.389 N/A ASP 94.A N GLN 91.A O no hydrogen 3.326 N/A HIS 95.A N GLY 92.A O no hydrogen 3.190 N/A HIS 95.A ND1 GLU 54.A OE2 no hydrogen 2.872 N/A HIS 96.A NE2 HIS 62.A NE2 no hydrogen 2.785 N/A ALA 97.A N PHE 93.A O no hydrogen 3.231 N/A THR 98.A N ASP 94.A O no hydrogen 2.894 N/A THR 98.A OG1 ASP 94.A O no hydrogen 3.109 N/A HIS 99.A N HIS 95.A O no hydrogen 2.752 N/A HIS 99.A NE2 TYR 106.A OH no hydrogen 2.699 N/A ILE 100.A N HIS 96.A O no hydrogen 2.904 N/A LEU 101.A N ALA 97.A O no hydrogen 3.050 N/A GLN 102.A N HIS 99.A O no hydrogen 3.329 N/A GLN 102.A NE2 THR 98.A O no hydrogen 2.842 N/A PHE 103.A N ILE 100.A O no hydrogen 3.265 N/A TYR 106.A N GLN 102.A O no hydrogen 3.120 N/A TYR 106.A OH HIS 99.A NE2 no hydrogen 2.699 N/A LEU 107.A N PHE 103.A O no hydrogen 3.097 N/A GLY 108.A N ASP 104.A O no hydrogen 2.934 N/A LEU 109.A N ARG 105.A O no hydrogen 3.067 N/A LEU 110.A N TYR 106.A O no hydrogen 3.052 N/A SER 111.A N LEU 107.A O no hydrogen 3.429 N/A SER 111.A OG GLY 108.A O no hydrogen 3.334 N/A GLU 112.A N GLY 108.A O no hydrogen 2.998 N/A ASN 113.A N LEU 109.A O no hydrogen 2.962 N/A CYS 114.A N SER 111.A O no hydrogen 3.272 N/A CYS 114.A SG LEU 110.A O no hydrogen 3.329 N/A LEU 115.A N GLU 112.A O no hydrogen 3.223 N/A SER 117.A N CYS 114.A O no hydrogen 3.459 N/A ARG 119.A NE ASP 37.A OD2 no hydrogen 2.771 N/A ARG 119.A NH1 ARG 119.A O no hydrogen 2.702 N/A LEU 120.A N SER 117.A OG no hydrogen 3.149 N/A ALA 121.A N SER 117.A O no hydrogen 2.748 N/A ALA 122.A N PRO 118.A O no hydrogen 2.763 N/A ALA 123.A N ARG 119.A O no hydrogen 3.127 N/A VAL 124.A N LEU 120.A O no hydrogen 2.925 N/A ARG 125.A N ALA 121.A O no hydrogen 2.859 N/A GLU 126.A N ALA 122.A O no hydrogen 3.337 N/A PHE 127.A N ALA 123.A O no hydrogen 3.295 N/A PHE 127.A N VAL 124.A O no hydrogen 3.058 N/A GLU 128.A N VAL 124.A O no hydrogen 2.811 N/A GLN 129.A N ARG 125.A O no hydrogen 3.008 N/A SER 130.A N PHE 127.A O no hydrogen 2.716 N/A SER 130.A OG GLN 129.A O no hydrogen 2.698 N/A ALA 132.A N GLU 128.A OE2 no hydrogen 3.328 N/A HIS 134.A N THR 131.A O no hydrogen 2.980 N/A ARG 135.A N THR 131.A O no hydrogen 2.877 N/A ARG 135.A NH2 GLU 128.A O no hydrogen 3.115 N/A LEU 137.A N HIS 134.A O no hydrogen 3.369 N/A VAL 139.A N LEU 136.A O no hydrogen 3.063 N/A GLN 141.A N LEU 137.A O no hydrogen 2.776 N/A ARG 142.A NE GLU 15.A OE1 no hydrogen 3.101 N/A ARG 142.A NH1 LEU 11.A O no hydrogen 3.155 N/A ARG 142.A NH1 SER 14.A OG no hydrogen 2.866 N/A ARG 142.A NH1 GLU 15.A OE1 no hydrogen 3.068 N/A ARG 142.A NH2 SER 14.A OG no hydrogen 2.969 N/A ARG 142.A NH2 GLN 145.A OE1 no hydrogen 2.961 N/A PHE 144.A N GLN 141.A O no hydrogen 2.981 N/A GLN 145.A N GLN 141.A O no hydrogen 3.218 N/A TYR 146.A N ARG 142.A O no hydrogen 2.946 N/A TYR 146.A OH GLU 15.A OE1 no hydrogen 2.620 N/A TYR 146.A OH GLU 15.A OE2 no hydrogen 3.162 N/A TYR 146.A OH HIS 62.A ND1 no hydrogen 2.915 N/A GLN 147.A N LEU 143.A O no hydrogen 3.363 N/A VAL 148.A N PHE 144.A O no hydrogen 3.026 N/A LEU 149.A N GLN 145.A O no hydrogen 2.816 N/A LEU 150.A N TYR 146.A O no hydrogen 2.646 N/A THR 151.A N GLN 147.A O no hydrogen 3.084 N/A THR 151.A OG1 GLN 147.A O no hydrogen 2.814 N/A ASP 152.A N VAL 148.A O no hydrogen 3.112 N/A TYR 153.A N LEU 149.A O no hydrogen 2.838 N/A TYR 153.A OH GLU 163.A OE1 no hydrogen 2.612 N/A LEU 154.A N LEU 150.A O no hydrogen 2.893 N/A ASN 155.A N THR 151.A O no hydrogen 3.299 N/A ASN 156.A N TYR 153.A O no hydrogen 3.334 N/A ASN 156.A ND2 ASP 152.A O no hydrogen 2.759 N/A LEU 157.A N LEU 154.A O no hydrogen 3.037 N/A ASP 165.A N SER 161.A O no hydrogen 3.180 N/A ASN 166.A N ALA 162.A O no hydrogen 3.128 N/A THR 167.A N GLU 163.A O no hydrogen 2.864 N/A THR 167.A OG1 GLU 163.A O no hydrogen 2.717 N/A GLN 168.A N TYR 164.A O no hydrogen 3.212 N/A GLY 169.A N ASP 165.A O no hydrogen 3.039 N/A ALA 170.A N ASN 166.A O no hydrogen 2.816 N/A LEU 171.A N THR 167.A O no hydrogen 2.816 N/A SER 172.A N GLN 168.A O no hydrogen 2.947 N/A SER 172.A OG GLY 169.A O no hydrogen 3.051 N/A LEU 173.A N GLY 169.A O no hydrogen 2.965 N/A ILE 174.A N ALA 170.A O no hydrogen 3.133 N/A SER 175.A N LEU 171.A O no hydrogen 3.045 N/A SER 175.A OG SER 172.A O no hydrogen 2.892 N/A LYS 176.A N SER 172.A O no hydrogen 2.920 N/A THR 178.A N ILE 174.A O no hydrogen 2.825 N/A THR 178.A OG1 GLN 147.A OE1 no hydrogen 2.693 N/A THR 178.A OG1 ILE 174.A O no hydrogen 3.202 N/A THR 178.A OG1 SER 175.A O no hydrogen 3.292 N/A ASP 179.A N SER 175.A O no hydrogen 2.930 N/A ARG 180.A N VAL 177.A O no hydrogen 3.261 N/A ASN 182.A N THR 178.A O no hydrogen 3.229 N/A ASN 182.A ND2 THR 178.A O no hydrogen 2.636 N/A ASP 183.A N ASP 179.A O no hydrogen 3.156 N/A SER 184.A N ARG 180.A O no hydrogen 2.735 N/A SER 184.A OG ASP 183.A OD1 no hydrogen 3.142 N/A LEU 190.A N GLN 186.A O no hydrogen 2.793 N/A GLN 191.A N GLY 187.A O no hydrogen 3.078 N/A LYS 192.A N GLU 188.A O no hydrogen 3.046 N/A LYS 192.A NZ ASN 189.A OD1 no hydrogen 3.273 N/A LEU 193.A N ASN 189.A O no hydrogen 3.015 N/A VAL 194.A N LEU 190.A O no hydrogen 3.038 N/A HIS 195.A N GLN 191.A O no hydrogen 2.982 N/A ILE 196.A N LYS 192.A O no hydrogen 2.837 N/A GLU 197.A N LEU 193.A O no hydrogen 2.960 N/A HIS 198.A N VAL 194.A O no hydrogen 3.241 N/A HIS 198.A NE2 ASP 152.A OD2 no hydrogen 2.829 N/A SER 199.A N HIS 195.A O no hydrogen 3.051 N/A SER 199.A OG HIS 195.A O no hydrogen 3.380 N/A SER 199.A OG ILE 196.A O no hydrogen 2.997 N/A VAL 200.A N ILE 196.A O no hydrogen 3.156 N/A ARG 201.A N TYR 248.A O no hydrogen 2.870 N/A ARG 211.A N GLN 208.A O no hydrogen 3.167 N/A ARG 211.A NH1 LEU 206.A O no hydrogen 3.278 N/A ARG 211.A NH2 ASP 235.A OD2 no hydrogen 2.653 N/A GLU 212.A N ASN 234.A OD1 no hydrogen 3.030 N/A PHE 213.A N ASN 189.A OD1 no hydrogen 2.970 N/A LEU 214.A N LEU 233.A O no hydrogen 2.708 N/A LYS 215.A N LEU 233.A O no hydrogen 3.104 N/A THR 218.A OG1 HIS 230.A ND1 no hydrogen 2.698 N/A LEU 219.A N ARG 229.A O no hydrogen 2.853 N/A THR 222.A N ASN 225.A O no hydrogen 3.146 N/A ASN 225.A N THR 222.A O no hydrogen 3.095 N/A ARG 227.A N LYS 220.A O no hydrogen 3.143 N/A ARG 229.A N LEU 219.A O no hydrogen 2.752 N/A ARG 229.A NE PRO 228.A O no hydrogen 2.848 N/A HIS 230.A N THR 240.A O no hydrogen 3.111 N/A HIS 230.A ND1 THR 218.A OG1 no hydrogen 2.698 N/A HIS 230.A NE2 GLU 216.A OE1 no hydrogen 3.170 N/A LEU 231.A N GLY 217.A O no hydrogen 2.803 N/A PHE 232.A N LEU 238.A O no hydrogen 2.966 N/A LEU 233.A N LYS 215.A O no hydrogen 2.696 N/A ASN 234.A ND2 GLY 210.A O no hydrogen 3.108 N/A LEU 237.A N LEU 254.A O no hydrogen 2.610 N/A LEU 238.A N PHE 232.A O no hydrogen 2.862 N/A TYR 239.A N ASN 252.A O no hydrogen 3.189 N/A THR 240.A N HIS 230.A O no hydrogen 2.924 N/A THR 240.A OG1 HIS 230.A O no hydrogen 2.839 N/A TYR 241.A N ARG 249.A O no hydrogen 3.071 N/A GLN 243.A N LYS 247.A O no hydrogen 2.911 N/A GLN 243.A NE2 ASP 245.A OD2 no hydrogen 3.171 N/A GLY 246.A N GLN 243.A O no hydrogen 3.109 N/A LYS 247.A NZ HIS 198.A O no hydrogen 2.718 N/A TYR 248.A N SER 199.A O no hydrogen 3.090 N/A ARG 249.A N TYR 241.A O no hydrogen 3.188 N/A LEU 250.A N ARG 201.A O no hydrogen 3.033 N/A LYS 251.A N TYR 239.A O no hydrogen 2.697 N/A ASN 252.A N TYR 239.A O no hydrogen 3.327 N/A LEU 254.A N LEU 237.A O no hydrogen 2.970 N/A VAL 256.A N ASP 235.A O no hydrogen 3.282 N/A SER 257.A N LYS 268.A O no hydrogen 2.626 N/A ARG 258.A NH1 ASP 286.A OD1 no hydrogen 2.945 N/A LEU 267.A N LEU 277.A O no hydrogen 2.622 N/A LYS 268.A N SER 257.A O no hydrogen 2.955 N/A ILE 269.A N LEU 276.A O no hydrogen 3.357 N/A THR 271.A N SER 274.A O no hydrogen 2.851 N/A THR 271.A OG1 SER 274.A O no hydrogen 2.954 N/A SER 274.A N THR 271.A OG1 no hydrogen 3.318 N/A LEU 276.A N ILE 269.A O no hydrogen 2.983 N/A SER 278.A OG PRO 264.A O no hydrogen 2.954 N/A SER 278.A OG TYR 265.A O no hydrogen 3.490 N/A SER 278.A OG ALA 279.A O no hydrogen 3.142 N/A ALA 279.A N TYR 265.A O no hydrogen 2.657 N/A ARG 285.A N SER 281.A O no hydrogen 3.002 N/A ARG 285.A NH2 ASP 286.A OD1 no hydrogen 2.945 N/A ASP 286.A N CYS 282.A O no hydrogen 3.277 N/A GLU 287.A N ALA 283.A O no hydrogen 2.725 N/A GLU 287.A N GLU 284.A O no hydrogen 3.220 N/A TRP 288.A N GLU 284.A O no hydrogen 3.197 N/A TYR 289.A N ARG 285.A O no hydrogen 3.130 N/A GLY 290.A N ASP 286.A O no hydrogen 3.260 N/A CYS 291.A N GLU 287.A O no hydrogen 3.307 N/A CYS 291.A SG GLU 287.A O no hydrogen 3.343 N/A LEU 292.A N TRP 288.A O no hydrogen 2.721 N/A SER 293.A N TYR 289.A O no hydrogen 2.844 N/A ARG 294.A N GLY 290.A O no hydrogen 3.021 N/A