Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i6q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASP 64.A OD2 no hydrogen 3.219 N/A ARG 2.A NH1 HIS 61.A O no hydrogen 2.846 N/A VAL 3.A N PRO 26.A O no hydrogen 2.882 N/A LEU 4.A N ILE 65.A O.A no hydrogen 2.885 N/A LEU 4.A N ILE 65.A O.B no hydrogen 2.896 N/A ILE 5.A N TYR 28.A O no hydrogen 2.821 N/A ALA 6.A N VAL 67.A O no hydrogen 2.946 N/A GLY 10.A N GLY 7.A O no hydrogen 3.014 N/A GLN 14.A N GLY 10.A O no hydrogen 3.160 N/A VAL 16.A N ILE 12.A O no hydrogen 3.181 N/A ALA 17.A N GLY 13.A O no hydrogen 2.735 N/A THR 18.A N GLN 14.A O no hydrogen 2.983 N/A THR 18.A OG1 GLN 14.A O no hydrogen 2.778 N/A ALA 19.A N PHE 15.A O no hydrogen 2.986 N/A SER 20.A N VAL 16.A O no hydrogen 3.064 N/A SER 20.A OG THR 27.A OG1 no hydrogen 2.724 N/A LEU 21.A N ALA 17.A O no hydrogen 3.281 N/A ASP 22.A N THR 18.A O no hydrogen 3.030 N/A ALA 23.A N ALA 19.A O no hydrogen 3.063 N/A ALA 23.A N SER 20.A O no hydrogen 3.251 N/A HIS 24.A N LEU 21.A O no hydrogen 3.121 N/A ARG 25.A N SER 20.A O no hydrogen 3.218 N/A ARG 25.A NH1 ASP 184.A OD2 no hydrogen 2.752 N/A ARG 25.A NH2 ASP 184.A OD1 no hydrogen 2.950 N/A THR 27.A OG1 SER 20.A OG no hydrogen 2.724 N/A THR 27.A OG1 ARG 25.A O no hydrogen 2.980 N/A TYR 28.A N VAL 3.A O no hydrogen 2.632 N/A ILE 29.A N ILE 42.A O no hydrogen 2.846 N/A LEU 30.A N ILE 5.A O no hydrogen 3.056 N/A ALA 31.A N VAL 44.A O no hydrogen 2.757 N/A GLU 37.A N PHE 33.A O no hydrogen 3.080 N/A ASP 38.A N LYS 34.A O no hydrogen 2.896 N/A LYS 39.A N ALA 35.A O no hydrogen 3.243 N/A LYS 39.A N LEU 36.A O no hydrogen 3.022 N/A LYS 39.A NZ ASP 22.A OD1 no hydrogen 3.535 N/A GLY 40.A N GLU 37.A O no hydrogen 3.041 N/A ALA 41.A N LEU 36.A O no hydrogen 3.289 N/A ILE 42.A N THR 27.A O no hydrogen 3.110 N/A VAL 44.A N ILE 29.A O no hydrogen 3.312 N/A GLY 46.A N ALA 31.A O no hydrogen 3.058 N/A GLU 50.A N LEU 47.A O no hydrogen 3.119 N/A GLN 51.A NE2 GLU 55.A OE2 no hydrogen 2.909 N/A MET 54.A N GLU 50.A O no hydrogen 3.123 N/A GLU 55.A N GLN 51.A O no hydrogen 2.967 N/A LYS 56.A N GLU 52.A O no hydrogen 3.142 N/A ILE 57.A N ALA 53.A O no hydrogen 3.293 N/A LEU 58.A N MET 54.A O no hydrogen 2.931 N/A LYS 59.A N GLU 55.A O no hydrogen 3.097 N/A GLU 60.A N LYS 56.A O no hydrogen 2.755 N/A HIS 61.A N ILE 57.A O no hydrogen 2.976 N/A GLU 62.A N LYS 59.A O no hydrogen 3.313 N/A ILE 63.A N LEU 58.A O no hydrogen 3.105 N/A ASP 64.A N ARG 2.A O no hydrogen 2.948 N/A ILE 65.A N.A ARG 2.A O no hydrogen 2.983 N/A ILE 65.A N.B ARG 2.A O no hydrogen 2.961 N/A VAL 66.A N ARG 93.A O no hydrogen 3.006 N/A VAL 67.A N LEU 4.A O no hydrogen 2.921 N/A SER 68.A N LEU 95.A O no hydrogen 2.920 N/A SER 68.A OG GLN 78.A OE1 no hydrogen 2.906 N/A THR 69.A N ALA 6.A O no hydrogen 2.702 N/A THR 69.A OG1 ALA 6.A O no hydrogen 3.016 N/A THR 69.A OG1 GLY 7.A O no hydrogen 2.844 N/A SER 74.A N GLY 71.A O no hydrogen 2.808 N/A ASP 77.A N SER 74.A O no hydrogen 3.002 N/A GLN 78.A N ILE 75.A O no hydrogen 3.111 N/A GLN 78.A NE2 ILE 75.A O no hydrogen 2.972 N/A ILE 79.A N LEU 76.A O no hydrogen 3.256 N/A VAL 82.A N GLN 78.A O no hydrogen 2.953 N/A LYS 83.A N ILE 79.A O no hydrogen 3.173 N/A ALA 84.A N ALA 80.A O no hydrogen 3.024 N/A MET 85.A N LEU 81.A O no hydrogen 2.998 N/A LYS 86.A N VAL 82.A O no hydrogen 2.996 N/A ALA 87.A N LYS 83.A O no hydrogen 2.952 N/A VAL 88.A N ALA 84.A O no hydrogen 3.231 N/A GLY 89.A N MET 85.A O no hydrogen 3.066 N/A LYS 92.A N ASP 64.A O no hydrogen 2.737 N/A LYS 92.A NZ ASP 64.A OD1 no hydrogen 3.136 N/A LYS 92.A NZ THR 90.A O no hydrogen 3.140 N/A ARG 93.A NH1 THR 134.A OG1 no hydrogen 2.943 N/A ARG 93.A NH1 THR 188.A OG1 no hydrogen 2.981 N/A ARG 93.A NH2 ASP 185.A O no hydrogen 2.903 N/A PHE 94.A N PRO 132.A O no hydrogen 2.872 N/A LEU 95.A N VAL 66.A O no hydrogen 2.935 N/A SER 97.A N GLN 78.A OE1 no hydrogen 2.898 N/A SER 97.A OG VAL 70.A O no hydrogen 2.589 N/A HIS 101.A NE2 GLN 256.A OE1 no hydrogen 2.935 N/A ASN 104.A N ASP 102.A OD1 no hydrogen 2.865 N/A ARG 105.A N ASP 102.A O no hydrogen 3.110 N/A ARG 105.A N ASP 102.A OD1 no hydrogen 3.079 N/A ARG 105.A NH1 ASP 102.A OD2 no hydrogen 2.746 N/A ARG 105.A NH1 ASP 266.A OD1 no hydrogen 3.088 N/A ARG 105.A NH1 ASP 266.A OD2 no hydrogen 3.459 N/A ARG 105.A NH2 ASP 266.A OD2 no hydrogen 2.919 N/A ALA 106.A N ASP 102.A O no hydrogen 3.104 N/A LEU 113.A N VAL 109.A O no hydrogen 3.146 N/A ASN 114.A N GLU 110.A OE1 no hydrogen 3.148 N/A ASN 114.A ND2 GLU 118.A OE2 no hydrogen 3.302 N/A TYR 116.A N GLY 112.A O no hydrogen 3.235 N/A TYR 116.A OH HIS 101.A ND1 no hydrogen 2.717 N/A ARG 117.A N LEU 113.A O no hydrogen 2.750 N/A ARG 117.A NE ASN 114.A OD1 no hydrogen 3.217 N/A ARG 117.A NH1 GLU 110.A OE2 no hydrogen 2.798 N/A ARG 117.A NH2 GLU 110.A OE1 no hydrogen 3.370 N/A ARG 117.A NH2 GLU 110.A OE2 no hydrogen 2.770 N/A ARG 117.A NH2 ASN 114.A OD1 no hydrogen 2.878 N/A GLU 118.A N ASN 114.A O no hydrogen 3.041 N/A LYS 119.A N MET 115.A O no hydrogen 2.974 N/A LYS 119.A NZ GLU 98.A O no hydrogen 2.989 N/A ARG 120.A N TYR 116.A O no hydrogen 2.884 N/A ARG 120.A NE VAL 103.A O no hydrogen 2.755 N/A ARG 120.A NH2 VAL 103.A O no hydrogen 2.987 N/A ARG 121.A N ARG 117.A O no hydrogen 3.014 N/A ARG 121.A NH1 GLN 124.A OE1 no hydrogen 2.873 N/A VAL 122.A N GLU 118.A O no hydrogen 3.066 N/A ARG 123.A N LYS 119.A O no hydrogen 2.950 N/A ARG 123.A NE GLU 98.A OE2 no hydrogen 2.848 N/A ARG 123.A NH2 GLU 98.A OE1 no hydrogen 2.795 N/A GLN 124.A N ARG 120.A O no hydrogen 2.948 N/A GLN 124.A NE2 GLU 128.A OE1 no hydrogen 3.107 N/A LEU 125.A N ARG 121.A O no hydrogen 3.034 N/A VAL 126.A N VAL 122.A O no hydrogen 2.849 N/A GLU 127.A N ARG 123.A O no hydrogen 2.970 N/A GLU 128.A N GLN 124.A O no hydrogen 2.931 N/A SER 129.A N LEU 125.A O no hydrogen 2.920 N/A SER 129.A OG LEU 125.A O no hydrogen 2.648 N/A GLY 130.A N GLU 127.A O no hydrogen 3.244 N/A ILE 131.A N VAL 126.A O no hydrogen 3.247 N/A PHE 133.A N ASN 190.A OD1 no hydrogen 3.127 N/A THR 134.A N PHE 94.A O no hydrogen 3.116 N/A THR 134.A OG1 THR 188.A O no hydrogen 2.888 N/A TYR 135.A N LYS 191.A O no hydrogen 2.975 N/A TYR 135.A OH GLU 127.A OE2 no hydrogen 2.643 N/A CYS 137.A N VAL 193.A O no hydrogen 2.876 N/A CYS 137.A SG HIS 101.A O no hydrogen 3.907 N/A CYS 137.A SG TYR 135.A O no hydrogen 3.932 N/A ASN 139.A N GLY 100.A O no hydrogen 2.985 N/A ASN 139.A ND2 PHE 195.A O no hydrogen 3.010 N/A SER 140.A N TYR 168.A O no hydrogen 3.071 N/A SER 140.A OG GLN 256.A OE1 no hydrogen 2.856 N/A ALA 142.A N VAL 170.A O no hydrogen 2.875 N/A SER 143.A OG.A ILE 141.A O no hydrogen 3.270 N/A TYR 146.A N TRP 144.A O no hydrogen 2.882 N/A TYR 146.A OH LEU 151.A O no hydrogen 2.458 N/A PHE 156.A N ASP 155.A OD1 no hydrogen 2.680 N/A PHE 157.A N PRO 220.A O no hydrogen 2.978 N/A ILE 159.A N VAL 222.A O no hydrogen 2.831 N/A TYR 160.A OH PRO 145.A O no hydrogen 2.707 N/A GLY 161.A N VAL 224.A O no hydrogen 2.896 N/A GLY 163.A N TYR 160.A O no hydrogen 2.917 N/A ASN 164.A N ASP 162.A OD1 no hydrogen 2.496 N/A LYS 166.A NZ CYS 201.A O no hydrogen 3.297 N/A LYS 166.A NZ GLU 206.A OE1 no hydrogen 2.970 N/A LYS 166.A NZ GLU 206.A OE2 no hydrogen 3.366 N/A ALA 167.A N LEU 202.A O.A no hydrogen 2.954 N/A ALA 167.A N LEU 202.A O.B no hydrogen 3.105 N/A PHE 169.A N ASN 200.A O no hydrogen 3.125 N/A VAL 170.A N SER 140.A O no hydrogen 2.830 N/A ILE 175.A N ALA 171.A O no hydrogen 2.897 N/A GLY 176.A N GLY 172.A O no hydrogen 3.088 N/A LYS 177.A N THR 173.A O no hydrogen 2.976 N/A LYS 177.A NZ ASP 276.A OD1 no hydrogen 3.006 N/A PHE 178.A N ASP 174.A O no hydrogen 3.108 N/A THR 179.A N ILE 175.A O no hydrogen 3.045 N/A THR 179.A OG1 ILE 175.A O no hydrogen 2.810 N/A MET 180.A N GLY 176.A O no hydrogen 3.122 N/A LYS 181.A N LYS 177.A O no hydrogen 3.205 N/A THR 182.A N PHE 178.A O no hydrogen 3.335 N/A THR 182.A N THR 179.A O no hydrogen 3.049 N/A THR 182.A OG1 THR 179.A O no hydrogen 2.781 N/A VAL 183.A N MET 180.A O no hydrogen 3.338 N/A ASP 185.A N THR 182.A O no hydrogen 3.254 N/A ARG 187.A N ASP 185.A OD1 no hydrogen 2.976 N/A ARG 187.A NE ASP 185.A OD1 no hydrogen 3.000 N/A ARG 187.A NH1 LEU 272.A O no hydrogen 2.829 N/A ARG 187.A NH2 ASP 185.A OD2 no hydrogen 2.857 N/A ARG 187.A NH2 LEU 272.A O no hydrogen 2.923 N/A THR 188.A N ASP 185.A O no hydrogen 3.228 N/A THR 188.A OG1 THR 182.A O no hydrogen 2.621 N/A THR 188.A OG1 ASP 185.A O no hydrogen 3.165 N/A ASN 190.A N PHE 133.A O no hydrogen 2.690 N/A LYS 191.A N THR 188.A O no hydrogen 3.328 N/A LYS 191.A NZ PRO 264.A O no hydrogen 2.589 N/A SER 192.A N GLU 265.A O no hydrogen 3.069 N/A VAL 193.A N TYR 135.A O no hydrogen 2.821 N/A HIS 194.A N VAL 267.A O no hydrogen 2.870 N/A HIS 194.A NE2 ASP 266.A OD1 no hydrogen 2.835 N/A PHE 195.A N CYS 137.A O no hydrogen 2.992 N/A ARG 196.A N GLU 268.A OE2 no hydrogen 2.939 N/A ARG 196.A NH1 PHE 259.A O no hydrogen 3.081 N/A ARG 196.A NH2 GLN 256.A O no hydrogen 3.360 N/A ARG 196.A NH2 PHE 259.A O no hydrogen 2.849 N/A ASN 200.A N PRO 197.A O no hydrogen 3.006 N/A ASN 200.A ND2 PHE 169.A O no hydrogen 2.837 N/A ASN 200.A ND2 ARG 279.A O no hydrogen 2.909 N/A LEU 202.A N.A ALA 167.A O no hydrogen 2.959 N/A LEU 202.A N.B ALA 167.A O no hydrogen 2.937 N/A ASN 203.A N GLU 206.A OE1 no hydrogen 2.940 N/A ASN 205.A N GLY 163.A O no hydrogen 3.205 N/A GLU 206.A N ASN 203.A OD1 no hydrogen 2.822 N/A LEU 207.A N ASN 203.A O no hydrogen 2.955 N/A ALA 208.A N ILE 204.A O no hydrogen 2.905 N/A SER 209.A N ASN 205.A O no hydrogen 3.199 N/A SER 209.A OG ASN 205.A O no hydrogen 3.264 N/A VAL 210.A N GLU 206.A O no hydrogen 3.036 N/A TRP 211.A N LEU 207.A O no hydrogen 3.164 N/A TRP 211.A NE1 PRO 153.A O no hydrogen 2.932 N/A GLU 212.A N ALA 208.A O no hydrogen 2.854 N/A LYS 213.A N SER 209.A O no hydrogen 3.176 N/A LYS 214.A N VAL 210.A O no hydrogen 3.248 N/A ILE 215.A N TRP 211.A O no hydrogen 2.952 N/A ARG 217.A N GLU 212.A O no hydrogen 3.248 N/A LEU 219.A N GLU 212.A OE2 no hydrogen 3.302 N/A ARG 221.A NH1 ASN 205.A O no hydrogen 3.132 N/A ARG 221.A NH1 ASN 205.A OD1 no hydrogen 3.019 N/A ARG 221.A NH2 SER 209.A OG no hydrogen 3.078 N/A ARG 221.A NH2 GLU 212.A OE1 no hydrogen 2.856 N/A VAL 222.A N PHE 157.A O no hydrogen 2.919 N/A VAL 224.A N ILE 159.A O no hydrogen 2.901 N/A THR 225.A N ASP 228.A OD2 no hydrogen 3.049 N/A ASP 228.A N THR 225.A OG1 no hydrogen 3.076 N/A LEU 229.A N THR 225.A O no hydrogen 3.211 N/A LEU 230.A N GLU 226.A O no hydrogen 2.922 N/A ALA 231.A N ASP 227.A O no hydrogen 2.795 N/A ALA 232.A N ASP 228.A O no hydrogen 3.103 N/A ALA 233.A N LEU 229.A O no hydrogen 2.911 N/A GLY 234.A N LEU 230.A O no hydrogen 2.892 N/A GLU 235.A N ALA 232.A O no hydrogen 3.251 N/A ASN 236.A N ALA 233.A O no hydrogen 3.027 N/A ILE 237.A N SER 241.A OG no hydrogen 2.903 N/A GLN 240.A N GLN 240.A OE1 no hydrogen 2.816 N/A SER 241.A N ILE 237.A O no hydrogen 2.670 N/A SER 241.A OG ALA 232.A O no hydrogen 2.739 N/A SER 241.A OG ALA 233.A O no hydrogen 3.522 N/A SER 241.A OG ILE 237.A O no hydrogen 3.421 N/A VAL 242.A N PRO 239.A O no hydrogen 3.093 N/A VAL 243.A N PRO 239.A O no hydrogen 3.207 N/A ALA 244.A N GLN 240.A O no hydrogen 3.030 N/A ALA 245.A N SER 241.A O no hydrogen 3.017 N/A PHE 246.A N VAL 242.A O no hydrogen 3.017 N/A THR 247.A N VAL 243.A O no hydrogen 2.862 N/A THR 247.A OG1 VAL 243.A O no hydrogen 2.783 N/A HIS 248.A N ALA 244.A O no hydrogen 3.022 N/A HIS 248.A NE2 GLU 226.A OE2 no hydrogen 2.782 N/A ASP 249.A N ALA 245.A O no hydrogen 2.969 N/A ILE 250.A N PHE 246.A O no hydrogen 2.915 N/A PHE 251.A N THR 247.A O no hydrogen 2.885 N/A ILE 252.A N HIS 248.A O no hydrogen 3.001 N/A LYS 253.A N HIS 248.A O no hydrogen 3.125 N/A LYS 253.A NZ ASP 107.A O no hydrogen 2.779 N/A GLY 254.A N ILE 250.A O no hydrogen 3.227 N/A CYS 255.A N ASP 249.A O no hydrogen 3.076 N/A GLN 256.A NE2 TYR 168.A O no hydrogen 3.548 N/A VAL 257.A N GLY 254.A O no hydrogen 3.252 N/A ASN 258.A ND2 LYS 253.A O no hydrogen 3.532 N/A ASP 262.A N SER 260.A OG no hydrogen 3.097 N/A ASP 266.A N GLY 263.A O no hydrogen 3.269 N/A VAL 267.A N SER 192.A O no hydrogen 2.947 N/A VAL 269.A N.A HIS 194.A O no hydrogen 2.969 N/A VAL 269.A N.B HIS 194.A O no hydrogen 2.987 N/A THR 270.A N GLU 268.A OE2 no hydrogen 3.042 N/A THR 270.A OG1 GLU 268.A OE1 no hydrogen 2.580 N/A THR 270.A OG1 GLU 268.A OE2 no hydrogen 3.517 N/A THR 271.A N GLU 268.A O no hydrogen 3.185 N/A THR 271.A N GLU 268.A OE1 no hydrogen 3.317 N/A THR 271.A OG1 GLU 268.A O no hydrogen 3.000 N/A LEU 272.A N GLU 268.A O no hydrogen 3.062 N/A TYR 273.A N VAL 269.A O.A no hydrogen 3.028 N/A TYR 273.A N VAL 269.A O.B no hydrogen 2.909 N/A TYR 273.A OH ASP 185.A OD2 no hydrogen 2.922 N/A ARG 279.A N ASP 174.A OD2 no hydrogen 2.683 N/A ARG 279.A NH1 THR 173.A OG1 no hydrogen 2.900 N/A ARG 279.A NH2 GLU 287.A OE1 no hydrogen 3.567 N/A THR 280.A N GLU 283.A OE1 no hydrogen 3.205 N/A GLU 283.A N THR 280.A OG1 no hydrogen 3.100 N/A CYS 284.A N THR 280.A O no hydrogen 3.074 N/A CYS 284.A SG THR 280.A O no hydrogen 3.541 N/A PHE 285.A N VAL 281.A O no hydrogen 2.828 N/A GLY 286.A N GLU 282.A O no hydrogen 2.932 N/A GLU 287.A N CYS 284.A O no hydrogen 3.039 N/A TYR 288.A OH ALA 142.A O no hydrogen 3.109 N/A