Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k6w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ASP 30.A O no hydrogen 3.097 N/A THR 4.A N ASP 53.A OD2 no hydrogen 2.753 N/A VAL 5.A N GLN 32.A O no hydrogen 3.101 N/A PHE 6.A N VAL 54.A O no hydrogen 2.871 N/A HIS 7.A N GLU 34.A O no hydrogen 3.214 N/A HIS 7.A ND1 ALA 8.A O no hydrogen 2.863 N/A ALA 8.A N ALA 56.A O no hydrogen 3.151 N/A SER 10.A OG TYR 254.A OH no hydrogen 2.726 N/A LEU 11.A N ALA 8.A O no hydrogen 3.125 N/A SER 12.A N GLY 9.A O no hydrogen 3.241 N/A SER 12.A OG GLY 9.A O no hydrogen 2.984 N/A PHE 15.A N LEU 11.A O no hydrogen 2.919 N/A GLU 16.A N SER 12.A O no hydrogen 2.932 N/A GLU 17.A N VAL 13.A O no hydrogen 3.450 N/A LEU 18.A N PRO 14.A O no hydrogen 2.945 N/A GLU 19.A N PHE 15.A O no hydrogen 2.891 N/A ALA 20.A N GLU 16.A O no hydrogen 3.151 N/A GLU 21.A N GLU 17.A O no hydrogen 3.201 N/A PHE 22.A N LEU 18.A O no hydrogen 2.997 N/A GLU 23.A N GLU 19.A O no hydrogen 2.904 N/A ALA 24.A N ALA 20.A O no hydrogen 3.198 N/A GLN 25.A N GLU 21.A O no hydrogen 3.402 N/A ASP 30.A N GLU 1.A O no hydrogen 3.034 N/A VAL 31.A N GLU 23.A OE2 no hydrogen 3.075 N/A GLN 32.A N LEU 3.A O no hydrogen 2.878 N/A GLN 32.A NE2 ASP 30.A OD2 no hydrogen 3.243 N/A ARG 33.A NE GLU 19.A OE1 no hydrogen 2.767 N/A ARG 33.A NH1 HIS 7.A NE2 no hydrogen 3.154 N/A GLU 34.A N VAL 5.A O no hydrogen 2.998 N/A ALA 36.A N HIS 7.A O no hydrogen 3.153 N/A ALA 39.A N ASP 120.A O no hydrogen 3.154 N/A GLN 40.A N ASP 120.A O no hydrogen 3.371 N/A GLN 40.A NE2 GLN 40.A O no hydrogen 3.408 N/A SER 41.A N GLY 37.A O no hydrogen 2.820 N/A SER 41.A OG ALA 36.A O no hydrogen 3.463 N/A SER 41.A OG GLY 37.A O no hydrogen 3.065 N/A VAL 42.A N SER 38.A O no hydrogen 2.894 N/A ARG 43.A N ALA 39.A O no hydrogen 2.895 N/A ARG 43.A NH1 ASN 119.A O no hydrogen 3.023 N/A ARG 43.A NH2 GLN 40.A OE1 no hydrogen 3.100 N/A ARG 43.A NH2 ASN 119.A O no hydrogen 2.725 N/A LYS 44.A N GLN 40.A O no hydrogen 2.963 N/A LYS 44.A NZ GLU 34.A OE1 no hydrogen 3.042 N/A ILE 45.A N VAL 42.A O no hydrogen 3.034 N/A THR 46.A N VAL 42.A O no hydrogen 3.017 N/A THR 46.A OG1 VAL 42.A O no hydrogen 3.465 N/A GLU 47.A N ARG 43.A O no hydrogen 3.152 N/A LEU 48.A N ARG 43.A O no hydrogen 3.161 N/A LYS 50.A N LYS 44.A O no hydrogen 2.952 N/A LYS 50.A NZ GLU 34.A OE2 no hydrogen 3.508 N/A ASP 53.A N THR 4.A O no hydrogen 2.819 N/A VAL 54.A N THR 4.A O no hydrogen 3.094 N/A LEU 55.A N THR 257.A O no hydrogen 2.886 N/A ALA 56.A N PHE 6.A O no hydrogen 2.899 N/A SER 57.A N GLY 255.A O no hydrogen 2.844 N/A SER 57.A OG ASP 59.A O no hydrogen 2.636 N/A ALA 58.A N SER 38.A OG no hydrogen 2.781 N/A ASP 59.A N SER 57.A OG no hydrogen 2.986 N/A TYR 60.A N VAL 253.A O no hydrogen 2.864 N/A ALA 61.A N ASP 59.A OD1 no hydrogen 3.204 N/A LEU 62.A N ASP 59.A O no hydrogen 3.237 N/A ILE 63.A N TYR 60.A O no hydrogen 2.904 N/A SER 65.A N ALA 61.A O no hydrogen 3.300 N/A SER 65.A OG ALA 61.A O no hydrogen 2.805 N/A LEU 66.A N LEU 62.A O no hydrogen 3.135 N/A MET 67.A N ILE 63.A O no hydrogen 2.801 N/A VAL 68.A N ILE 63.A O no hydrogen 3.341 N/A TYR 71.A N MET 67.A O no hydrogen 2.827 N/A ALA 72.A N MET 67.A O no hydrogen 3.205 N/A TYR 75.A N GLU 298.A O no hydrogen 3.305 N/A ALA 76.A N VAL 256.A O no hydrogen 2.977 N/A ALA 77.A N ILE 296.A O no hydrogen 2.666 N/A PHE 78.A N TYR 254.A O no hydrogen 2.954 N/A ARG 80.A N PRO 290.A O no hydrogen 2.740 N/A ARG 80.A NH1 SER 226.A O no hydrogen 2.770 N/A ARG 80.A NH2 SER 226.A O no hydrogen 2.931 N/A ARG 80.A NH2 ILE 252.A O no hydrogen 3.523 N/A ASN 81.A ND2 SER 207.A OG no hydrogen 2.771 N/A ASN 81.A ND2 TYR 254.A OH no hydrogen 2.942 N/A GLN 82.A N ASN 81.A OD1 no hydrogen 2.891 N/A MET 83.A N ASP 224.A O no hydrogen 3.093 N/A ILE 84.A N ILE 204.A O no hydrogen 2.875 N/A LEU 85.A N VAL 217.A O no hydrogen 3.510 N/A ALA 86.A N LEU 202.A O no hydrogen 2.726 N/A TYR 87.A N GLU 215.A O no hydrogen 2.812 N/A THR 88.A N SER 91.A OG no hydrogen 3.090 N/A GLU 90.A N THR 88.A OG1 no hydrogen 3.103 N/A SER 91.A N THR 88.A O no hydrogen 3.378 N/A SER 91.A OG THR 88.A O no hydrogen 3.516 N/A SER 91.A OG ASP 200.A O no hydrogen 2.701 N/A LYS 92.A N ASP 200.A OD1 no hydrogen 2.989 N/A LYS 92.A NZ ASP 110.A O no hydrogen 3.465 N/A TYR 93.A OH ASP 110.A OD2 no hydrogen 3.073 N/A GLU 96.A N TYR 93.A O no hydrogen 3.249 N/A ASN 98.A N ASN 101.A OD1 no hydrogen 2.758 N/A THR 99.A OG1 ALA 218.A O no hydrogen 3.027 N/A ASP 100.A N ASN 98.A OD1 no hydrogen 3.020 N/A ASN 101.A N ASN 98.A O no hydrogen 3.457 N/A ASN 101.A ND2 GLU 96.A O no hydrogen 2.890 N/A TRP 102.A NE1 TYR 138.A OH no hydrogen 3.193 N/A GLU 104.A N ASN 101.A O no hydrogen 3.142 N/A ILE 105.A N ASN 101.A O no hydrogen 3.358 N/A LEU 106.A N TRP 102.A O no hydrogen 3.047 N/A ARG 107.A N TYR 103.A O no hydrogen 2.899 N/A ARG 107.A NH1 GLU 104.A OE1 no hydrogen 3.201 N/A ARG 107.A NH1 ASP 140.A OD2 no hydrogen 2.904 N/A ARG 107.A NH2 ASP 140.A OD1 no hydrogen 2.862 N/A ARG 107.A NH2 ASP 140.A OD2 no hydrogen 3.473 N/A ARG 108.A N ILE 105.A O no hydrogen 3.331 N/A ARG 108.A NE ASP 110.A OD1 no hydrogen 3.533 N/A VAL 111.A N ARG 108.A O no hydrogen 3.136 N/A ARG 112.A N ASP 200.A OD2 no hydrogen 3.231 N/A TYR 113.A N LYS 180.A O no hydrogen 2.903 N/A TYR 113.A OH LEU 147.A O no hydrogen 2.637 N/A GLY 114.A N TYR 201.A O no hydrogen 2.801 N/A PHE 115.A N MET 182.A O no hydrogen 3.320 N/A SER 116.A OG ASP 121.A OD2 no hydrogen 2.579 N/A ASN 117.A N ARG 184.A O no hydrogen 2.824 N/A ASN 117.A ND2 SER 171.A OG no hydrogen 3.062 N/A ASN 119.A N ASN 117.A OD1 no hydrogen 3.256 N/A ASN 119.A ND2 PRO 169.A O no hydrogen 2.959 N/A ASN 119.A ND2 SER 171.A OG no hydrogen 3.251 N/A ASP 120.A N ASN 117.A O no hydrogen 3.154 N/A ASP 121.A N ASN 117.A O no hydrogen 2.882 N/A TYR 125.A N ASP 121.A O no hydrogen 3.068 N/A TYR 125.A OH ASP 59.A OD2 no hydrogen 2.572 N/A ARG 126.A N PRO 122.A O no hydrogen 2.708 N/A ARG 126.A NH1 ALA 58.A O no hydrogen 2.820 N/A ARG 126.A NH1 TYR 205.A OH no hydrogen 2.820 N/A ARG 126.A NH2 ALA 58.A O no hydrogen 3.016 N/A SER 127.A N ALA 123.A O no hydrogen 3.039 N/A SER 127.A OG GLY 124.A O no hydrogen 2.850 N/A GLN 128.A NE2 SER 127.A OG no hydrogen 3.208 N/A MET 129.A N TYR 125.A O no hydrogen 3.115 N/A VAL 130.A N ARG 126.A O no hydrogen 2.777 N/A THR 131.A N SER 127.A O no hydrogen 3.054 N/A THR 131.A OG1 SER 127.A O no hydrogen 2.769 N/A THR 131.A OG1 TYR 203.A OH no hydrogen 2.796 N/A GLN 132.A N GLN 128.A O no hydrogen 2.972 N/A LEU 133.A N MET 129.A O no hydrogen 2.916 N/A ALA 134.A N VAL 130.A O no hydrogen 3.056 N/A GLU 135.A N GLN 132.A O no hydrogen 3.039 N/A TYR 137.A N LEU 133.A O no hydrogen 3.490 N/A TYR 138.A N ALA 134.A O no hydrogen 2.960 N/A TYR 138.A OH THR 99.A O no hydrogen 2.545 N/A ASP 140.A N GLU 135.A O no hydrogen 2.990 N/A MET 142.A N ASP 140.A OD1 no hydrogen 3.307 N/A TYR 144.A N GLU 135.A OE2 no hydrogen 2.901 N/A TYR 144.A OH GLN 128.A OE1 no hydrogen 2.682 N/A ASP 146.A N MET 142.A O no hydrogen 2.851 N/A LEU 147.A N ILE 143.A O no hydrogen 3.091 N/A MET 148.A N TYR 144.A O no hydrogen 2.915 N/A LEU 149.A N TYR 144.A O no hydrogen 3.097 N/A ALA 150.A N ASP 145.A O no hydrogen 2.811 N/A ASN 151.A N MET 148.A O no hydrogen 3.410 N/A ASN 151.A ND2 LEU 147.A O no hydrogen 3.074 N/A THR 152.A OG1 MET 148.A O no hydrogen 2.802 N/A GLY 153.A N ILE 174.A O no hydrogen 2.659 N/A MET 154.A N THR 152.A OG1 no hydrogen 3.061 N/A THR 155.A N HIS 167.A O no hydrogen 3.164 N/A THR 157.A N LEU 165.A O no hydrogen 2.976 N/A THR 157.A OG1 LEU 165.A O no hydrogen 3.557 N/A THR 157.A OG1 HIS 167.A NE2 no hydrogen 2.908 N/A GLU 159.A N THR 163.A O no hydrogen 2.761 N/A GLY 162.A N GLU 159.A O no hydrogen 3.039 N/A THR 163.A N ASN 161.A OD1 no hydrogen 3.284 N/A THR 163.A OG1 ASN 161.A OD1 no hydrogen 2.471 N/A ALA 164.A N LYS 236.A O no hydrogen 3.023 N/A LEU 165.A N THR 157.A O no hydrogen 2.843 N/A ILE 166.A N GLN 238.A O no hydrogen 2.945 N/A HIS 167.A N THR 155.A O no hydrogen 2.778 N/A HIS 167.A NE2 THR 157.A OG1 no hydrogen 2.908 N/A VAL 168.A N GLU 240.A O no hydrogen 2.806 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.796 N/A GLU 173.A N ALA 170.A O no hydrogen 2.881 N/A SER 175.A OG GLU 172.A O no hydrogen 3.251 N/A ASN 177.A N ASN 151.A O no hydrogen 2.875 N/A ASN 177.A ND2 ASN 151.A OD1 no hydrogen 3.079 N/A LYS 180.A N ASN 177.A O no hydrogen 2.962 N/A LYS 180.A NZ LEU 106.A O no hydrogen 2.580 N/A LYS 180.A NZ ARG 108.A O no hydrogen 2.665 N/A LYS 180.A NZ VAL 111.A O no hydrogen 2.847 N/A ILE 181.A N ASN 177.A O no hydrogen 2.772 N/A MET 182.A N TYR 113.A O no hydrogen 3.013 N/A ARG 184.A NH1 LEU 183.A O no hydrogen 2.886 N/A GLU 187.A N ASP 121.A OD2 no hydrogen 3.172 N/A GLU 189.A N MET 186.A O no hydrogen 3.252 N/A LEU 194.A N LEU 190.A O no hydrogen 3.060 N/A GLU 195.A N SER 191.A O no hydrogen 3.112 N/A THR 196.A N SER 192.A O no hydrogen 3.315 N/A THR 196.A OG1 SER 192.A O no hydrogen 3.124 N/A THR 196.A OG1 ALA 193.A O no hydrogen 3.414 N/A GLU 198.A N ALA 193.A O no hydrogen 2.904 N/A ILE 199.A N ALA 193.A O no hydrogen 3.419 N/A ASP 200.A N ARG 112.A O no hydrogen 2.818 N/A TYR 201.A N ARG 112.A O no hydrogen 3.372 N/A TYR 201.A OH LYS 92.A O no hydrogen 2.764 N/A LEU 202.A N ALA 86.A O no hydrogen 2.940 N/A TYR 203.A N GLY 114.A O no hydrogen 3.101 N/A TYR 203.A OH THR 131.A OG1 no hydrogen 2.796 N/A ILE 204.A N ILE 84.A O no hydrogen 3.233 N/A ARG 206.A N GLN 82.A O no hydrogen 2.785 N/A ARG 206.A NE GLU 210.A OE2 no hydrogen 3.346 N/A ARG 206.A NH1 GLN 82.A OE1 no hydrogen 3.358 N/A SER 207.A N ASN 81.A OD1 no hydrogen 3.397 N/A ALA 209.A N TYR 205.A O no hydrogen 3.273 N/A GLU 210.A N ARG 206.A O no hydrogen 3.093 N/A GLN 211.A N SER 207.A O no hydrogen 2.988 N/A GLN 211.A NE2 ASN 287.A O no hydrogen 3.183 N/A HIS 212.A N ALA 209.A O no hydrogen 3.356 N/A HIS 212.A ND1 VAL 208.A O no hydrogen 3.048 N/A PHE 214.A N ALA 209.A O no hydrogen 2.977 N/A GLU 215.A N TYR 87.A O no hydrogen 2.813 N/A VAL 217.A N LEU 85.A O no hydrogen 2.870 N/A ILE 223.A N PRO 220.A O no hydrogen 2.931 N/A ASP 224.A N PRO 220.A O no hydrogen 2.983 N/A SER 226.A N ASP 224.A OD1 no hydrogen 3.225 N/A SER 226.A OG ASP 224.A OD1 no hydrogen 2.699 N/A SER 226.A OG ASP 224.A OD2 no hydrogen 3.048 N/A SER 227.A N TYR 234.A OH no hydrogen 3.015 N/A TYR 230.A N SER 227.A O no hydrogen 3.417 N/A ALA 231.A N LEU 228.A O no hydrogen 3.334 N/A ASN 233.A ND2 ALA 222.A O no hydrogen 2.632 N/A TYR 234.A N TYR 230.A O no hydrogen 3.049 N/A TYR 234.A OH PRO 221.A O no hydrogen 2.546 N/A TYR 234.A OH SER 227.A O no hydrogen 3.290 N/A SER 235.A N ALA 231.A O no hydrogen 3.318 N/A SER 235.A OG ALA 231.A O no hydrogen 3.391 N/A SER 235.A OG ASP 232.A O no hydrogen 2.807 N/A LYS 236.A N ASN 233.A O no hydrogen 3.333 N/A VAL 237.A N TYR 234.A O no hydrogen 3.384 N/A GLN 238.A N ALA 164.A O no hydrogen 2.822 N/A GLN 238.A NE2 GLU 159.A OE1 no hydrogen 2.797 N/A VAL 239.A N VAL 247.A O no hydrogen 2.763 N/A GLU 240.A N ILE 166.A O no hydrogen 2.706 N/A MET 241.A N GLU 245.A O no hydrogen 2.972 N/A VAL 242.A N ASN 119.A OD1 no hydrogen 3.032 N/A GLY 244.A N MET 241.A O no hydrogen 3.023 N/A GLU 245.A N ASN 243.A OD1 no hydrogen 3.382 N/A VAL 247.A N VAL 239.A O no hydrogen 2.880 N/A THR 248.A OG1 GLN 238.A OE1 no hydrogen 2.800 N/A GLY 249.A N VAL 237.A O no hydrogen 3.023 N/A SER 250.A OG THR 248.A O no hydrogen 3.221 N/A ILE 252.A N LEU 225.A O no hydrogen 2.883 N/A TYR 254.A N ALA 79.A O no hydrogen 2.792 N/A TYR 254.A OH SER 10.A OG no hydrogen 2.726 N/A GLY 255.A N SER 57.A O no hydrogen 3.022 N/A VAL 256.A N ALA 76.A O no hydrogen 2.943 N/A THR 257.A N LEU 55.A O no hydrogen 2.905 N/A THR 257.A OG1 TRP 74.A O no hydrogen 2.746 N/A THR 257.A OG1 ILE 258.A O no hydrogen 3.460 N/A ASN 260.A N TYR 71.A O no hydrogen 2.862 N/A ASN 260.A ND2 PRO 69.A O no hydrogen 3.449 N/A ASN 260.A ND2 GLU 70.A O no hydrogen 3.332 N/A ALA 262.A N PRO 259.A O no hydrogen 3.270 N/A ASN 264.A N ASP 53.A OD1 no hydrogen 2.905 N/A ALA 268.A N ASN 264.A O no hydrogen 2.869 N/A THR 269.A N SER 265.A O no hydrogen 2.934 N/A THR 269.A OG1 SER 265.A O no hydrogen 2.819 N/A PHE 271.A N LEU 267.A O no hydrogen 3.278 N/A VAL 272.A N ALA 268.A O no hydrogen 3.187 N/A ALA 273.A N THR 269.A O no hydrogen 2.903 N/A LEU 274.A N GLU 270.A O no hydrogen 2.905 N/A LEU 275.A N PHE 271.A O no hydrogen 2.916 N/A LEU 276.A N VAL 272.A O no hydrogen 2.866 N/A GLY 277.A N ALA 273.A O no hydrogen 2.905 N/A GLY 280.A N LEU 274.A O no hydrogen 3.135 N/A GLN 281.A N GLY 277.A O no hydrogen 3.129 N/A GLN 281.A NE2 LEU 276.A O no hydrogen 2.892 N/A GLN 282.A N GLU 278.A O no hydrogen 3.141 N/A ILE 283.A N THR 279.A O no hydrogen 3.249 N/A PHE 284.A N GLY 280.A O no hydrogen 3.162 N/A ILE 285.A N GLN 281.A O no hydrogen 3.043 N/A GLU 286.A N GLN 282.A O no hydrogen 3.086 N/A ASN 287.A ND2 GLU 17.A OE1 no hydrogen 3.020 N/A GLY 288.A N ILE 285.A O no hydrogen 3.170 N/A GLN 289.A N PHE 284.A O no hydrogen 2.952 N/A GLN 289.A NE2 SER 10.A O no hydrogen 3.402 N/A ILE 292.A N PHE 78.A O no hydrogen 2.796 N/A ILE 296.A N ALA 77.A O no hydrogen 3.228 N/A ALA 297.A N VAL 312.A O no hydrogen 3.301 N/A GLU 298.A N TYR 75.A O no hydrogen 3.129 N/A LYS 300.A NZ ALA 297.A O no hydrogen 3.100 N/A LYS 300.A NZ VAL 312.A O no hydrogen 3.429 N/A LYS 300.A NZ VAL 312.A OXT no hydrogen 3.502 N/A SER 302.A N GLY 299.A O no hydrogen 2.988 N/A MET 303.A N LYS 300.A O no hydrogen 3.248 N/A LEU 307.A N PRO 304.A O no hydrogen 3.097 N/A GLN 308.A N PRO 304.A O no hydrogen 3.072 N/A GLN 308.A NE2 MET 303.A O no hydrogen 3.107 N/A LEU 310.A N LEU 307.A O no hydrogen 3.183 N/A VAL 312.A N ALA 295.A O no hydrogen 2.881 N/A