Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3duq_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N ASP 1.A OD1 no hydrogen 2.892 N/A SER 4.A N TRP 37.A O no hydrogen 3.028 N/A GLN 7.A NE2 THR 33.A O no hydrogen 2.852 N/A ASP 13.A N GLN 42.A OE1 no hydrogen 2.952 N/A GLY 15.A N ASP 13.A OD1 no hydrogen 3.383 N/A ASP 19.A N ALA 135.A O no hydrogen 3.036 N/A VAL 20.A N THR 17.A O no hydrogen 2.898 N/A ALA 23.A N ASN 21.A OD1 no hydrogen 2.760 N/A ASN 24.A N ASN 21.A O no hydrogen 3.097 N/A ARG 25.A NH1 MET 16.A O no hydrogen 3.067 N/A ARG 25.A NH2 MET 16.A O no hydrogen 2.808 N/A SER 26.A N ILE 46.A O no hydrogen 2.891 N/A SER 26.A OG GLY 27.A O no hydrogen 2.706 N/A GLY 29.A N LEU 43.A O no hydrogen 2.662 N/A SER 32.A N ALA 41.A O no hydrogen 2.747 N/A LEU 35.A N SER 32.A OG no hydrogen 3.114 N/A GLY 36.A N SER 32.A O no hydrogen 3.030 N/A TRP 37.A N LEU 34.A O no hydrogen 3.400 N/A PHE 38.A N LEU 35.A O no hydrogen 3.177 N/A GLY 39.A N LEU 35.A O no hydrogen 2.789 N/A GLN 42.A NE2 ASP 13.A O no hydrogen 2.764 N/A GLN 42.A NE2 GLY 44.A O no hydrogen 3.199 N/A ILE 46.A N SER 26.A OG no hydrogen 3.156 N/A LEU 48.A N ASN 24.A O no hydrogen 2.874 N/A VAL 53.A N GLY 49.A O no hydrogen 3.333 N/A LEU 54.A N SER 50.A O no hydrogen 3.036 N/A SER 55.A N LEU 51.A O no hydrogen 2.908 N/A SER 55.A OG ALA 121.A O no hydrogen 3.024 N/A LEU 56.A N GLY 52.A O no hydrogen 2.691 N/A PHE 57.A N VAL 53.A O no hydrogen 2.684 N/A SER 58.A N LEU 54.A O no hydrogen 2.778 N/A SER 58.A OG LEU 54.A O no hydrogen 2.640 N/A GLY 59.A N SER 55.A O no hydrogen 2.770 N/A LEU 60.A N LEU 56.A O no hydrogen 3.309 N/A MET 61.A N PHE 57.A O no hydrogen 2.990 N/A TRP 62.A N SER 58.A O no hydrogen 2.881 N/A PHE 63.A N GLY 59.A O no hydrogen 3.272 N/A PHE 64.A N LEU 60.A O no hydrogen 2.741 N/A THR 65.A N MET 61.A O no hydrogen 2.755 N/A THR 65.A OG1 MET 61.A O no hydrogen 2.802 N/A ILE 66.A N TRP 62.A O no hydrogen 3.152 N/A GLY 67.A N PHE 63.A O no hydrogen 2.983 N/A ILE 68.A N PHE 64.A O no hydrogen 2.833 N/A TRP 69.A NE1 SER 89.A O no hydrogen 3.008 N/A PHE 70.A N ILE 66.A O no hydrogen 2.981 N/A TRP 71.A N GLY 67.A O no hydrogen 3.051 N/A TYR 72.A N ILE 68.A O no hydrogen 2.803 N/A GLN 73.A N TRP 69.A O no hydrogen 2.883 N/A GLN 73.A NE2 SER 89.A O no hydrogen 3.229 N/A ALA 74.A N PHE 70.A O no hydrogen 2.833 N/A TRP 76.A N TRP 71.A O no hydrogen 3.187 N/A ASN 77.A N ALA 74.A O no hydrogen 3.276 N/A ALA 79.A N ASN 77.A OD1 no hydrogen 3.038 N/A PHE 81.A N ASN 77.A O no hydrogen 2.916 N/A LEU 82.A N PRO 78.A O no hydrogen 3.223 N/A ARG 83.A N ALA 79.A O no hydrogen 2.903 N/A ARG 83.A NE ASP 84.A OD1 no hydrogen 2.695 N/A ARG 83.A NH2 ASP 84.A OD2 no hydrogen 2.766 N/A ASP 84.A N VAL 80.A O no hydrogen 2.711 N/A PHE 87.A N ASP 84.A O no hydrogen 2.861 N/A PHE 88.A N ASP 84.A O no hydrogen 3.231 N/A SER 89.A N GLN 73.A OE1 no hydrogen 3.160 N/A SER 89.A OG GLU 91.A OE2 no hydrogen 2.672 N/A SER 89.A OG SER 177.A OG no hydrogen 2.932 N/A LEU 90.A N TYR 173.A O no hydrogen 2.757 N/A TYR 97.A N ALA 94.A O no hydrogen 3.199 N/A TYR 97.A OH GLU 107.A OE1 no hydrogen 2.719 N/A GLY 98.A N PRO 95.A O no hydrogen 3.186 N/A SER 100.A N TYR 97.A O no hydrogen 2.959 N/A ALA 102.A N SER 100.A OG no hydrogen 3.092 N/A LYS 106.A NZ TYR 72.A OH no hydrogen 3.366 N/A GLU 107.A N PRO 104.A O no hydrogen 3.117 N/A GLY 108.A N LEU 105.A O no hydrogen 3.405 N/A GLY 109.A N PRO 104.A O no hydrogen 2.859 N/A LEU 110.A N LEU 105.A O no hydrogen 3.433 N/A TRP 111.A N GLY 108.A O no hydrogen 3.169 N/A TRP 111.A NE1 VAL 171.A O no hydrogen 3.200 N/A LEU 112.A N GLY 108.A O no hydrogen 3.331 N/A ILE 113.A N GLY 109.A O no hydrogen 3.138 N/A ALA 114.A N LEU 110.A O no hydrogen 3.113 N/A SER 115.A N TRP 111.A O no hydrogen 2.907 N/A SER 115.A OG TRP 111.A O no hydrogen 2.442 N/A SER 115.A OG TYR 173.A OH no hydrogen 2.779 N/A PHE 116.A N LEU 112.A O no hydrogen 2.804 N/A PHE 117.A N ILE 113.A O no hydrogen 2.908 N/A MET 118.A N ALA 114.A O no hydrogen 2.862 N/A PHE 119.A N SER 115.A O no hydrogen 2.703 N/A VAL 120.A N PHE 116.A O no hydrogen 3.239 N/A ALA 121.A N PHE 117.A O no hydrogen 2.935 N/A VAL 122.A N MET 118.A O no hydrogen 2.811 N/A TRP 123.A N PHE 119.A O no hydrogen 3.052 N/A SER 124.A N VAL 120.A O no hydrogen 3.094 N/A SER 124.A OG VAL 120.A O no hydrogen 2.471 N/A SER 124.A OG ALA 121.A O no hydrogen 2.719 N/A TRP 125.A N ALA 121.A O no hydrogen 3.146 N/A TRP 126.A N VAL 122.A O no hydrogen 2.927 N/A TRP 126.A NE1 ALA 143.A O no hydrogen 2.645 N/A GLY 127.A N TRP 123.A O no hydrogen 2.928 N/A ARG 128.A N SER 124.A O no hydrogen 2.865 N/A ARG 128.A NH1 TYR 47.A O no hydrogen 2.873 N/A ARG 128.A NH2 TYR 47.A O no hydrogen 2.953 N/A ARG 128.A NH2 LEU 48.A O no hydrogen 3.252 N/A THR 129.A N TRP 125.A O no hydrogen 3.130 N/A THR 129.A OG1 TRP 126.A O no hydrogen 2.497 N/A TYR 130.A N TRP 126.A O no hydrogen 3.236 N/A LEU 131.A N GLY 127.A O no hydrogen 2.985 N/A ARG 132.A N ARG 128.A O no hydrogen 2.985 N/A ALA 133.A N TYR 130.A O no hydrogen 3.066 N/A GLN 134.A N TYR 130.A O no hydrogen 2.990 N/A ALA 135.A N LEU 131.A O no hydrogen 2.877 N/A LEU 136.A N ALA 133.A O no hydrogen 3.038 N/A GLY 137.A N GLN 134.A O no hydrogen 3.014 N/A MET 138.A N ALA 133.A O no hydrogen 3.054 N/A LYS 140.A NZ MET 138.A O no hydrogen 2.757 N/A TRP 144.A N LYS 140.A O no hydrogen 3.092 N/A ALA 145.A N HIS 141.A O no hydrogen 2.788 N/A PHE 146.A N THR 142.A O no hydrogen 2.878 N/A LEU 147.A N ALA 143.A O no hydrogen 3.001 N/A LEU 147.A N TRP 144.A O no hydrogen 3.091 N/A SER 148.A N ALA 145.A O no hydrogen 3.164 N/A SER 148.A OG VAL 270.A O no hydrogen 2.741 N/A SER 148.A OG THR 273.A OG1 no hydrogen 2.488 N/A ILE 150.A N PHE 146.A O no hydrogen 3.040 N/A TRP 151.A N LEU 147.A O no hydrogen 2.881 N/A TRP 151.A NE1 LEU 274.A O no hydrogen 3.109 N/A LEU 152.A N SER 148.A O no hydrogen 3.426 N/A TRP 153.A N ALA 149.A O no hydrogen 3.339 N/A MET 154.A N ILE 150.A O no hydrogen 2.712 N/A VAL 155.A N TRP 151.A O no hydrogen 2.898 N/A LEU 156.A N LEU 152.A O no hydrogen 2.978 N/A GLY 157.A N TRP 153.A O no hydrogen 3.228 N/A ILE 159.A N MET 154.A O no hydrogen 2.922 N/A ARG 160.A N VAL 155.A O no hydrogen 3.079 N/A ARG 160.A NE SER 283.A O no hydrogen 2.867 N/A ARG 160.A NH1 GLU 169.A OE1 no hydrogen 2.522 N/A ARG 160.A NH2 GLU 169.A OE1 no hydrogen 3.035 N/A ARG 160.A NH2 HIS 189.A NE2 no hydrogen 2.995 N/A ARG 160.A NH2 SER 283.A O no hydrogen 3.382 N/A ILE 162.A N PHE 158.A O no hydrogen 3.074 N/A LEU 163.A N ILE 159.A O no hydrogen 2.993 N/A MET 164.A N ARG 160.A O no hydrogen 2.996 N/A GLY 165.A N PRO 161.A O no hydrogen 3.210 N/A SER 166.A N PRO 161.A O no hydrogen 3.001 N/A SER 166.A OG SER 168.A OG no hydrogen 2.810 N/A TRP 167.A N GLY 98.A O no hydrogen 3.191 N/A SER 168.A OG SER 166.A OG no hydrogen 2.810 N/A GLU 169.A N SER 166.A O no hydrogen 3.332 N/A ALA 170.A N TRP 167.A O no hydrogen 2.847 N/A TYR 173.A N LEU 90.A O no hydrogen 2.780 N/A TYR 173.A OH SER 115.A OG no hydrogen 2.779 N/A PHE 176.A N PHE 86.A O no hydrogen 2.997 N/A SER 177.A OG SER 89.A OG no hydrogen 2.932 N/A HIS 178.A N GLY 174.A O no hydrogen 3.305 N/A HIS 178.A ND1 ILE 175.A O no hydrogen 2.967 N/A ASP 180.A N PHE 176.A O no hydrogen 2.971 N/A TRP 181.A N SER 177.A O no hydrogen 2.990 N/A THR 182.A N HIS 178.A O no hydrogen 3.168 N/A THR 182.A OG1 HIS 178.A O no hydrogen 3.007 N/A ASN 183.A N LEU 179.A O no hydrogen 3.014 N/A ASN 184.A N ASP 180.A O no hydrogen 2.728 N/A PHE 185.A N TRP 181.A O no hydrogen 2.761 N/A SER 186.A N THR 182.A O no hydrogen 3.360 N/A VAL 188.A N ASN 184.A O no hydrogen 3.078 N/A HIS 189.A N PHE 185.A O no hydrogen 3.324 N/A HIS 189.A N SER 186.A O no hydrogen 3.296 N/A HIS 189.A ND1 PHE 185.A O no hydrogen 2.618 N/A ASN 191.A N SER 186.A O no hydrogen 2.683 N/A LEU 192.A N SER 186.A OG no hydrogen 3.006 N/A PHE 193.A N ASN 191.A OD1 no hydrogen 2.851 N/A TYR 194.A N ASN 191.A O no hydrogen 3.094 N/A ASN 195.A N LEU 192.A O no hydrogen 2.915 N/A ASN 195.A ND2 GLY 279.A O no hydrogen 2.646 N/A PHE 197.A N ASN 195.A OD1 no hydrogen 3.065 N/A GLY 199.A N ASN 195.A O no hydrogen 3.102 N/A LEU 200.A N PRO 196.A O no hydrogen 2.954 N/A SER 201.A N PHE 197.A O no hydrogen 2.654 N/A SER 201.A OG VAL 272.A O no hydrogen 2.657 N/A ILE 202.A N HIS 198.A O no hydrogen 3.040 N/A ALA 203.A N GLY 199.A O no hydrogen 3.252 N/A PHE 204.A N LEU 200.A O no hydrogen 3.104 N/A LEU 205.A N SER 201.A O no hydrogen 3.054 N/A TYR 206.A N ILE 202.A O no hydrogen 2.805 N/A GLY 207.A N ALA 203.A O no hydrogen 2.861 N/A SER 208.A N PHE 204.A O no hydrogen 2.877 N/A SER 208.A OG PHE 204.A O no hydrogen 2.832 N/A ALA 209.A N LEU 205.A O no hydrogen 3.253 N/A LEU 210.A N TYR 206.A O no hydrogen 3.017 N/A LEU 211.A N GLY 207.A O no hydrogen 2.667 N/A PHE 212.A N SER 208.A O no hydrogen 2.846 N/A ALA 213.A N ALA 209.A O no hydrogen 2.824 N/A MET 214.A N LEU 210.A O no hydrogen 2.957 N/A HIS 215.A N LEU 211.A O no hydrogen 2.649 N/A HIS 215.A NE2 HIS 262.A NE2 no hydrogen 2.998 N/A GLY 216.A N PHE 212.A O no hydrogen 2.935 N/A ALA 217.A N ALA 213.A O no hydrogen 3.038 N/A THR 218.A N MET 214.A O no hydrogen 3.035 N/A THR 218.A OG1 MET 214.A O no hydrogen 2.478 N/A ILE 219.A N HIS 215.A O no hydrogen 2.947 N/A LEU 220.A N GLY 216.A O no hydrogen 3.055 N/A ALA 221.A N ALA 217.A O no hydrogen 2.852 N/A VAL 222.A N THR 218.A O no hydrogen 2.957 N/A VAL 222.A N ILE 219.A O no hydrogen 3.282 N/A SER 223.A N LEU 220.A O no hydrogen 3.296 N/A SER 223.A OG LEU 220.A O no hydrogen 2.847 N/A PHE 225.A N VAL 222.A O no hydrogen 2.902 N/A GLY 226.A N SER 223.A O no hydrogen 2.846 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.471 N/A ARG 229.A N GLY 226.A O no hydrogen 3.337 N/A GLU 230.A N GLU 228.A O no hydrogen 2.816 N/A GLN 233.A N ARG 229.A O no hydrogen 3.317 N/A ILE 234.A N GLU 230.A O no hydrogen 2.927 N/A ALA 235.A N LEU 231.A O no hydrogen 3.017 N/A ARG 237.A NE GLU 242.A OE2 no hydrogen 2.731 N/A ARG 237.A NH2 GLU 242.A OE2 no hydrogen 3.346 N/A GLY 238.A N GLN 233.A OE1 no hydrogen 2.768 N/A ALA 241.A N GLY 238.A O no hydrogen 3.259 N/A ARG 243.A N THR 239.A O no hydrogen 2.879 N/A ARG 243.A NE THR 239.A OG1 no hydrogen 2.723 N/A ALA 244.A N ALA 240.A O no hydrogen 2.919 N/A ALA 245.A N ALA 241.A O no hydrogen 2.786 N/A LEU 246.A N GLU 242.A O no hydrogen 2.773 N/A PHE 247.A N ARG 243.A O no hydrogen 2.813 N/A TRP 248.A NE1 THR 218.A OG1 no hydrogen 3.062 N/A ARG 249.A N ALA 245.A O no hydrogen 2.826 N/A TRP 250.A N LEU 246.A O no hydrogen 3.012 N/A THR 251.A N PHE 247.A O no hydrogen 3.217 N/A THR 251.A OG1 PHE 247.A O no hydrogen 2.818 N/A MET 252.A N TRP 248.A O no hydrogen 2.950 N/A GLY 253.A N ARG 249.A O no hydrogen 2.791 N/A ASN 255.A ND2 ALA 256.A O no hydrogen 2.973 N/A GLY 260.A N THR 257.A OG1 no hydrogen 3.059 N/A ILE 261.A N THR 257.A O no hydrogen 2.773 N/A HIS 262.A N GLU 259.A O no hydrogen 3.162 N/A HIS 262.A ND1 MET 258.A O no hydrogen 2.788 N/A ARG 263.A N GLY 260.A O no hydrogen 2.666 N/A ARG 263.A NH2 GLU 259.A OE2 no hydrogen 2.657 N/A TRP 264.A N GLY 260.A O no hydrogen 3.187 N/A ALA 265.A N ILE 261.A O no hydrogen 3.047 N/A ILE 266.A N HIS 262.A O no hydrogen 3.153 N/A TRP 267.A N ARG 263.A O no hydrogen 3.221 N/A MET 268.A N TRP 264.A O no hydrogen 2.891 N/A ALA 269.A N ALA 265.A O no hydrogen 3.182 N/A VAL 270.A N ILE 266.A O no hydrogen 3.167 N/A LEU 271.A N TRP 267.A O no hydrogen 2.953 N/A VAL 272.A N ALA 269.A O no hydrogen 3.232 N/A THR 273.A OG1 SER 148.A OG no hydrogen 2.488 N/A LEU 274.A N VAL 270.A O no hydrogen 3.301 N/A THR 275.A N LEU 271.A O no hydrogen 3.033 N/A THR 275.A OG1 LEU 271.A O no hydrogen 2.686 N/A THR 275.A OG1 VAL 272.A O no hydrogen 3.154 N/A GLY 276.A N VAL 272.A O no hydrogen 3.095 N/A GLY 277.A N THR 273.A O no hydrogen 2.977 N/A ILE 278.A N LEU 274.A O no hydrogen 3.366 N/A GLY 279.A N THR 275.A O no hydrogen 2.949 N/A ILE 280.A N GLY 276.A O no hydrogen 3.120 N/A LEU 281.A N GLY 277.A O no hydrogen 3.024 N/A LEU 282.A N ILE 278.A O no hydrogen 3.211 N/A SER 283.A N ILE 280.A O no hydrogen 2.951 N/A SER 283.A OG GLY 279.A O no hydrogen 2.857 N/A GLY 284.A N VAL 287.A O no hydrogen 2.625 N/A THR 285.A OG1 LEU 281.A O no hydrogen 2.517 N/A VAL 286.A N LEU 282.A O no hydrogen 3.377 N/A VAL 287.A N LEU 282.A O no hydrogen 3.024 N/A TRP 290.A N HIS 189.A O no hydrogen 2.677 N/A TRP 290.A NE1 SER 283.A OG no hydrogen 2.708 N/A VAL 292.A N ASN 289.A OD1 no hydrogen 2.839 N/A TRP 293.A N ASN 289.A O no hydrogen 3.056 N/A GLY 294.A N TRP 290.A O no hydrogen 2.887 N/A GLN 295.A N VAL 292.A O no hydrogen 2.880 N/A ASN 296.A N VAL 292.A O no hydrogen 3.206 N/A HIS 297.A N TRP 293.A O no hydrogen 2.569 N/A