Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mtl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH ASP 61.A OD2 no hydrogen 3.078 N/A ILE 5.A N LYS 22.A O no hydrogen 2.912 N/A LYS 6.A NZ GLU 34.A OE1 no hydrogen 3.188 N/A LYS 6.A NZ GLU 34.A OE2 no hydrogen 2.800 N/A LEU 7.A N LYS 20.A O no hydrogen 2.892 N/A LYS 9.A NZ GLU 12.A OE2 no hydrogen 2.773 N/A LEU 10.A N VAL 18.A O no hydrogen 2.860 N/A GLY 11.A N VAL 18.A O no hydrogen 3.394 N/A THR 17.A N GLU 34.A O no hydrogen 3.059 N/A THR 17.A OG1 GLY 11.A O no hydrogen 3.484 N/A VAL 18.A N GLY 11.A O no hydrogen 2.873 N/A TYR 19.A N LEU 32.A O no hydrogen 3.157 N/A LYS 20.A N ASP 8.A O no hydrogen 2.891 N/A GLY 21.A N VAL 30.A O no hydrogen 2.790 N/A LYS 22.A N ILE 5.A O no hydrogen 3.276 N/A SER 23.A N ASN 28.A O no hydrogen 3.025 N/A SER 23.A OG THR 26.A OG1 no hydrogen 3.380 N/A LYS 24.A N THR 3.A O no hydrogen 2.884 N/A LEU 25.A N SER 23.A OG no hydrogen 3.057 N/A THR 26.A N SER 23.A OG no hydrogen 3.237 N/A ASP 27.A N SER 23.A O no hydrogen 3.144 N/A ASN 28.A N THR 26.A OG1 no hydrogen 3.323 N/A VAL 30.A N GLY 21.A O no hydrogen 2.877 N/A ALA 31.A N PHE 73.A O no hydrogen 2.852 N/A LEU 32.A N TYR 19.A O no hydrogen 2.902 N/A LYS 33.A N LEU 71.A O no hydrogen 2.770 N/A LYS 33.A NZ GLU 44.A OE2 no hydrogen 2.641 N/A LYS 33.A NZ ASP 137.A O no hydrogen 2.723 N/A LYS 33.A NZ ASP 137.A OD2 no hydrogen 3.188 N/A GLU 34.A N THR 17.A O no hydrogen 2.782 N/A ILE 35.A N LEU 69.A O no hydrogen 2.872 N/A ARG 36.A N TYR 15.A O no hydrogen 3.124 N/A SER 46.A OG ASP 137.A OD2 no hydrogen 2.681 N/A LEU 47.A N GLU 44.A O no hydrogen 3.082 N/A LEU 48.A N GLU 44.A O no hydrogen 2.929 N/A LYS 52.A N ASP 50.A O no hydrogen 2.797 N/A HIS 53.A N LEU 51.A O no hydrogen 3.129 N/A ALA 54.A N ASP 279.A O no hydrogen 2.926 N/A ASN 55.A N HIS 53.A ND1 no hydrogen 2.979 N/A ASN 55.A ND2 GLN 102.A OE1 no hydrogen 3.402 N/A ASN 55.A ND2 LEU 133.A O no hydrogen 2.846 N/A ILE 56.A N HIS 53.A O no hydrogen 3.107 N/A VAL 57.A N LEU 135.A O no hydrogen 3.172 N/A THR 58.A N GLU 74.A OE2 no hydrogen 3.016 N/A THR 58.A OG1 GLU 74.A OE2 no hydrogen 2.874 N/A HIS 60.A N VAL 72.A O no hydrogen 2.756 N/A ASP 61.A N VAL 72.A O no hydrogen 3.188 N/A ILE 62.A N ASP 61.A OD1 no hydrogen 2.940 N/A ILE 63.A N THR 70.A O no hydrogen 2.803 N/A THR 65.A N SER 68.A O no hydrogen 2.917 N/A THR 65.A OG1 SER 68.A O no hydrogen 3.081 N/A THR 65.A OG1 SER 68.A OG no hydrogen 2.775 N/A SER 68.A OG THR 65.A OG1 no hydrogen 2.775 N/A THR 70.A N ILE 63.A O no hydrogen 2.883 N/A LEU 71.A N LYS 33.A O no hydrogen 2.913 N/A VAL 72.A N ASP 61.A O no hydrogen 2.855 N/A PHE 73.A N ALA 31.A O no hydrogen 2.703 N/A GLU 74.A N THR 58.A O no hydrogen 3.076 N/A LEU 80.A N LEU 125.A O no hydrogen 2.864 N/A GLN 82.A N ASP 79.A OD1 no hydrogen 3.092 N/A GLN 82.A NE2 ASP 77.A O no hydrogen 3.669 N/A TYR 83.A N ASP 79.A O no hydrogen 2.882 N/A TYR 83.A OH GLU 294.A OE1 no hydrogen 2.657 N/A LEU 84.A N LEU 80.A O no hydrogen 2.968 N/A ASP 85.A N LYS 81.A O no hydrogen 3.026 N/A ASP 86.A N GLN 82.A O no hydrogen 2.977 N/A CYS 87.A N TYR 83.A O no hydrogen 3.385 N/A CYS 87.A N LEU 84.A O no hydrogen 3.160 N/A CYS 87.A SG TYR 83.A O no hydrogen 3.424 N/A CYS 87.A SG LEU 84.A O no hydrogen 3.372 N/A CYS 87.A SG ILE 90.A O no hydrogen 3.567 N/A GLY 88.A N ASP 85.A O no hydrogen 3.307 N/A ASN 89.A N LEU 84.A O no hydrogen 2.717 N/A ASN 92.A N GLU 294.A OE2 no hydrogen 2.742 N/A ASN 95.A ND2 GLN 292.A O no hydrogen 2.780 N/A ASN 95.A ND2 GLU 294.A OE2 no hydrogen 3.062 N/A VAL 96.A N ASN 92.A O no hydrogen 3.166 N/A LYS 97.A N MET 93.A O no hydrogen 3.365 N/A LYS 97.A NZ PHE 266.A O no hydrogen 2.747 N/A LEU 98.A N HIS 94.A O no hydrogen 3.223 N/A PHE 99.A N ASN 95.A O no hydrogen 2.725 N/A LEU 100.A N VAL 96.A O no hydrogen 2.808 N/A PHE 101.A N LYS 97.A O no hydrogen 2.961 N/A GLN 102.A N LEU 98.A O no hydrogen 3.225 N/A GLN 102.A NE2 LEU 98.A O no hydrogen 3.292 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.875 N/A LEU 103.A N PHE 99.A O no hydrogen 3.016 N/A LEU 104.A N LEU 100.A O no hydrogen 3.028 N/A ARG 105.A N PHE 101.A O no hydrogen 3.015 N/A ARG 105.A N GLN 102.A O no hydrogen 3.046 N/A ARG 105.A NE ASN 55.A OD1 no hydrogen 3.023 N/A ARG 105.A NH1 THR 281.A O no hydrogen 3.280 N/A ARG 105.A NH2 THR 281.A O no hydrogen 2.753 N/A GLY 106.A N GLN 102.A O no hydrogen 3.188 N/A LEU 107.A N LEU 103.A O no hydrogen 3.209 N/A ALA 108.A N LEU 104.A O no hydrogen 2.998 N/A TYR 109.A N ARG 105.A O no hydrogen 3.033 N/A TYR 109.A N GLY 106.A O no hydrogen 3.266 N/A CYS 110.A N GLY 106.A O no hydrogen 3.075 N/A CYS 110.A SG GLY 106.A O no hydrogen 3.466 N/A HIS 111.A N LEU 107.A O no hydrogen 2.922 N/A HIS 111.A NE2 ASP 165.A OD2 no hydrogen 2.631 N/A ARG 112.A N ALA 108.A O no hydrogen 3.318 N/A ARG 112.A NH2 ASP 279.A OD2 no hydrogen 3.284 N/A GLN 113.A N TYR 109.A O no hydrogen 2.862 N/A LYS 114.A N HIS 111.A O no hydrogen 2.999 N/A VAL 115.A N CYS 110.A O no hydrogen 2.702 N/A LEU 116.A N ALA 141.A O no hydrogen 2.675 N/A HIS 117.A N ASP 165.A OD2 no hydrogen 3.331 N/A ARG 118.A N GLY 139.A O no hydrogen 3.022 N/A LYS 121.A NZ ASP 119.A OD1 no hydrogen 3.165 N/A ASN 124.A N LYS 121.A O no hydrogen 2.952 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 3.050 N/A LEU 125.A N PRO 122.A O no hydrogen 3.352 N/A LEU 126.A N LYS 134.A O no hydrogen 3.011 N/A ILE 127.A N LYS 78.A O no hydrogen 2.767 N/A ASN 128.A N GLU 132.A O no hydrogen 3.210 N/A ASN 128.A ND2 GLU 132.A OE2 no hydrogen 3.451 N/A ARG 130.A N ASN 128.A OD1 no hydrogen 3.118 N/A GLY 131.A N ASN 128.A O no hydrogen 3.210 N/A GLU 132.A N ASN 128.A OD1 no hydrogen 3.018 N/A LYS 134.A N LEU 126.A O no hydrogen 3.148 N/A LYS 134.A NZ GLU 74.A OE1 no hydrogen 2.892 N/A LYS 134.A NZ GLU 74.A OE2 no hydrogen 2.962 N/A LEU 135.A N ASN 55.A O no hydrogen 3.098 N/A ALA 136.A N ASN 124.A O no hydrogen 3.000 N/A ALA 141.A N LEU 116.A O no hydrogen 2.760 N/A ALA 143.A N LYS 114.A O no hydrogen 3.293 N/A LYS 144.A N ARG 142.A O no hydrogen 2.926 N/A TYR 148.A OH GLU 175.A OE1 no hydrogen 2.747 N/A ARG 149.A N LEU 146.A O no hydrogen 3.428 N/A ILE 153.A N ASP 152.A OD2 no hydrogen 3.157 N/A LEU 154.A N PRO 150.A O no hydrogen 3.247 N/A LEU 155.A N PRO 151.A O no hydrogen 2.932 N/A GLY 156.A N ILE 153.A O no hydrogen 3.238 N/A ASP 159.A N SER 157.A OG no hydrogen 3.400 N/A ILE 164.A N SER 161.A O no hydrogen 3.058 N/A MET 166.A N GLN 163.A O no hydrogen 3.048 N/A TRP 167.A N ILE 164.A O no hydrogen 3.098 N/A VAL 169.A N ASP 165.A O no hydrogen 3.043 N/A GLY 170.A N MET 166.A O no hydrogen 3.238 N/A CYS 171.A N TRP 167.A O no hydrogen 3.003 N/A CYS 171.A SG TRP 147.A O no hydrogen 3.983 N/A CYS 171.A SG TRP 167.A O no hydrogen 3.362 N/A ILE 172.A N GLY 168.A O no hydrogen 3.006 N/A PHE 173.A N VAL 169.A O no hydrogen 2.809 N/A TYR 174.A N GLY 170.A O no hydrogen 3.125 N/A TYR 174.A OH HIS 232.A O no hydrogen 3.396 N/A GLU 175.A N CYS 171.A O no hydrogen 3.001 N/A MET 176.A N ILE 172.A O no hydrogen 2.835 N/A ALA 177.A N PHE 173.A O no hydrogen 2.980 N/A THR 178.A N TYR 174.A O no hydrogen 2.885 N/A THR 178.A OG1 TYR 174.A O no hydrogen 2.879 N/A GLY 179.A N GLU 175.A O no hydrogen 2.846 N/A ARG 180.A NH2 HIS 232.A O no hydrogen 3.325 N/A GLY 185.A N PHE 183.A O no hydrogen 2.949 N/A GLY 185.A N GLN 191.A OE1 no hydrogen 3.068 N/A SER 186.A N GLU 190.A OE1 no hydrogen 2.802 N/A GLU 190.A N THR 187.A OG1 no hydrogen 2.987 N/A GLN 191.A N THR 187.A O no hydrogen 2.844 N/A GLN 191.A NE2 TRP 147.A O no hydrogen 3.246 N/A GLN 191.A NE2 PHE 183.A O no hydrogen 3.153 N/A LEU 192.A N VAL 188.A O no hydrogen 3.182 N/A HIS 193.A N GLU 189.A O.A no hydrogen 3.327 N/A HIS 193.A N GLU 189.A O.B no hydrogen 3.124 N/A PHE 194.A N GLU 190.A O no hydrogen 2.886 N/A ILE 195.A N GLN 191.A O no hydrogen 2.960 N/A PHE 196.A N LEU 192.A O no hydrogen 2.899 N/A ARG 197.A N HIS 193.A O no hydrogen 2.972 N/A ARG 197.A NH1 TYR 224.A OH no hydrogen 3.133 N/A ILE 198.A N ILE 195.A O no hydrogen 3.069 N/A LEU 199.A N ILE 195.A O no hydrogen 2.881 N/A GLY 200.A N PHE 196.A O no hydrogen 2.722 N/A THR 201.A N TYR 224.A O no hydrogen 2.955 N/A THR 201.A OG1 PRO 222.A O no hydrogen 2.616 N/A THR 203.A N THR 206.A OG1 no hydrogen 3.122 N/A THR 203.A OG1 THR 206.A OG1 no hydrogen 3.211 N/A GLU 205.A N THR 203.A OG1 no hydrogen 3.305 N/A THR 206.A N THR 203.A OG1 no hydrogen 3.341 N/A THR 206.A OG1 THR 203.A O no hydrogen 3.441 N/A THR 206.A OG1 THR 203.A OG1 no hydrogen 3.211 N/A TRP 207.A N THR 203.A O no hydrogen 2.890 N/A GLY 209.A N GLU 204.A OE1 no hydrogen 2.739 N/A ILE 210.A N TRP 207.A O no hydrogen 3.404 N/A SER 212.A N GLY 209.A O no hydrogen 3.096 N/A ASN 213.A N ILE 210.A O no hydrogen 2.764 N/A ASN 213.A ND2 LEU 155.A O no hydrogen 3.010 N/A PHE 216.A N ASN 213.A OD1 no hydrogen 3.236 N/A LYS 217.A N ASN 213.A O no hydrogen 3.309 N/A THR 218.A N GLU 214.A O no hydrogen 3.332 N/A THR 218.A OG1 GLU 214.A O no hydrogen 3.414 N/A THR 218.A OG1 GLU 215.A O no hydrogen 2.803 N/A TYR 219.A N PHE 216.A O no hydrogen 3.206 N/A ASN 220.A N LYS 217.A O no hydrogen 3.468 N/A TYR 224.A N THR 201.A OG1 no hydrogen 3.162 N/A GLU 227.A N ILE 198.A O no hydrogen 3.182 N/A SER 231.A N ALA 228.A O no hydrogen 3.133 N/A HIS 232.A N LEU 229.A O no hydrogen 2.808 N/A HIS 232.A NE2 GLU 227.A OE1 no hydrogen 3.019 N/A ALA 233.A N LEU 229.A O no hydrogen 3.061 N/A ARG 235.A NH1 ILE 91.A O no hydrogen 2.918 N/A ARG 235.A NH1 ALA 177.A O no hydrogen 3.521 N/A ARG 235.A NH2 ILE 91.A O no hydrogen 2.973 N/A LEU 236.A N ALA 233.A O no hydrogen 3.028 N/A GLY 240.A N ASP 237.A OD1 no hydrogen 2.688 N/A ALA 241.A N ASP 237.A O no hydrogen 3.006 N/A ASP 242.A N SER 238.A O no hydrogen 2.966 N/A LEU 243.A N ASP 239.A O no hydrogen 2.883 N/A LEU 244.A N GLY 240.A O no hydrogen 3.089 N/A THR 245.A N ALA 241.A O no hydrogen 2.895 N/A THR 245.A OG1 ALA 241.A O no hydrogen 2.967 N/A LYS 246.A N ASP 242.A O no hydrogen 3.057 N/A LYS 246.A NZ ASP 242.A OD1 no hydrogen 2.756 N/A LEU 247.A N LEU 243.A O no hydrogen 3.044 N/A LEU 247.A N LEU 244.A O no hydrogen 3.151 N/A LEU 248.A N LEU 244.A O no hydrogen 2.946 N/A GLY 252.A N ASP 152.A OD1 no hydrogen 2.990 N/A ASN 254.A N GLU 251.A O no hydrogen 2.990 N/A ARG 255.A N GLY 252.A O no hydrogen 3.039 N/A ARG 255.A NE GLN 249.A O no hydrogen 2.737 N/A ARG 255.A NH1 GLN 163.A O no hydrogen 3.263 N/A ARG 255.A NH2 ASP 152.A OD2 no hydrogen 2.810 N/A ARG 255.A NH2 GLN 249.A O no hydrogen 3.319 N/A ARG 255.A NH2 PHE 250.A O no hydrogen 2.921 N/A ILE 256.A N LYS 246.A O no hydrogen 3.163 N/A ASP 260.A N SER 257.A OG no hydrogen 3.043 N/A ALA 261.A N SER 257.A O no hydrogen 2.836 N/A MET 262.A N GLU 259.A O no hydrogen 3.266 N/A LYS 263.A N ASP 260.A O no hydrogen 2.856 N/A HIS 264.A NE2 ASP 242.A OD1 no hydrogen 2.740 N/A PHE 266.A N HIS 264.A ND1 no hydrogen 2.995 N/A PHE 267.A N HIS 264.A O no hydrogen 3.161 N/A LEU 268.A N PRO 265.A O no hydrogen 3.207 N/A LEU 270.A N PHE 267.A O no hydrogen 2.960 N/A GLY 271.A N LEU 268.A O no hydrogen 2.965 N/A ARG 273.A NH1 GLU 288.A OE2 no hydrogen 2.874 N/A HIS 275.A N GLU 272.A O no hydrogen 3.347 N/A HIS 275.A NE2 MET 262.A O no hydrogen 3.107 N/A THR 281.A N PRO 278.A O no hydrogen 3.113 N/A THR 281.A OG1 PRO 278.A O no hydrogen 3.460 N/A SER 282.A OG GLU 132.A OE1 no hydrogen 3.295 N/A PHE 284.A N SER 282.A OG no hydrogen 3.262 N/A ALA 285.A N SER 282.A O no hydrogen 3.417 N/A LEU 286.A N ILE 283.A O no hydrogen 3.416 N/A ILE 289.A N LEU 286.A O no hydrogen 3.208 N/A GLN 292.A N ASN 95.A OD1 no hydrogen 2.912 N/A