Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qpd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 24.A ND1 no hydrogen 2.986 N/A LYS 2.A N GLU 79.A OE1 no hydrogen 2.844 N/A ILE 3.A N MET 25.A O no hydrogen 2.831 N/A ALA 4.A N LEU 80.A O no hydrogen 2.952 N/A VAL 5.A N GLY 28.A O no hydrogen 3.015 N/A ILE 6.A N VAL 82.A O no hydrogen 2.778 N/A GLY 7.A N PHE 30.A O no hydrogen 3.132 N/A GLN 8.A N PRO 84.A O no hydrogen 3.267 N/A SER 9.A N ASP 40.A OD1 no hydrogen 3.055 N/A SER 9.A N ASP 40.A OD2 no hydrogen 3.085 N/A SER 9.A OG GLN 8.A O no hydrogen 2.484 N/A GLY 12.A N GLN 8.A O no hydrogen 3.304 N/A GLN 13.A N SER 9.A O no hydrogen 2.964 N/A GLN 13.A NE2 PRO 41.A O no hydrogen 3.074 N/A GLU 14.A N LEU 10.A O no hydrogen 2.805 N/A VAL 15.A N PHE 11.A O no hydrogen 3.023 N/A TYR 16.A N GLY 12.A O no hydrogen 2.922 N/A TYR 16.A OH ASP 49.A OD2 no hydrogen 2.790 N/A LYS 17.A N GLN 13.A O no hydrogen 2.864 N/A LYS 17.A NZ GLU 14.A OE2 no hydrogen 2.983 N/A GLU 18.A N GLU 14.A O no hydrogen 2.835 N/A LEU 19.A N VAL 15.A O no hydrogen 3.016 N/A LYS 20.A N TYR 16.A O no hydrogen 2.927 N/A ASN 21.A N LYS 17.A O no hydrogen 3.067 N/A GLU 22.A N LEU 19.A O no hydrogen 3.250 N/A GLY 23.A N LYS 20.A O no hydrogen 3.073 N/A HIS 24.A N LEU 19.A O no hydrogen 3.175 N/A MET 25.A N MET 1.A O no hydrogen 3.093 N/A VAL 27.A N ILE 3.A O no hydrogen 3.093 N/A VAL 29.A N PRO 52.A O no hydrogen 2.896 N/A PHE 30.A N VAL 5.A O no hydrogen 2.889 N/A THR 31.A N PHE 54.A O no hydrogen 2.861 N/A THR 31.A OG1 GLY 7.A O no hydrogen 2.896 N/A ILE 32.A N THR 31.A OG1 no hydrogen 2.580 N/A LYS 35.A N LYS 38.A O no hydrogen 3.164 N/A LYS 38.A N LYS 35.A O no hydrogen 2.968 N/A LEU 42.A N ASP 40.A OD2 no hydrogen 2.935 N/A ILE 44.A N ASP 40.A O no hydrogen 3.009 N/A GLU 45.A N PRO 41.A O no hydrogen 3.060 N/A ALA 46.A N LEU 42.A O no hydrogen 3.178 N/A GLU 47.A N ALA 43.A O no hydrogen 3.028 N/A LYS 48.A N ILE 44.A O no hydrogen 3.255 N/A ASP 49.A N GLU 45.A O no hydrogen 3.192 N/A GLY 50.A N GLU 47.A O no hydrogen 2.956 N/A VAL 51.A N ALA 46.A O no hydrogen 2.906 N/A PHE 54.A N VAL 29.A O no hydrogen 2.616 N/A LYS 55.A NZ ASP 34.A OD1 no hydrogen 2.833 N/A LYS 55.A NZ ASP 34.A OD2 no hydrogen 3.414 N/A LEU 61.A N LYS 64.A O no hydrogen 2.886 N/A ILE 66.A N TRP 59.A O no hydrogen 2.927 N/A VAL 70.A N ILE 66.A O no hydrogen 3.033 N/A ASP 71.A N THR 67.A O no hydrogen 2.932 N/A GLN 72.A N GLU 68.A O no hydrogen 3.065 N/A TYR 73.A N VAL 69.A O no hydrogen 2.953 N/A TYR 73.A OH ASN 81.A OD1 no hydrogen 2.545 N/A LYS 74.A N VAL 70.A O no hydrogen 2.890 N/A ALA 75.A N ASP 71.A O no hydrogen 3.109 N/A VAL 76.A N TYR 73.A O no hydrogen 3.407 N/A GLY 77.A N LYS 74.A O no hydrogen 3.193 N/A GLU 79.A N LYS 2.A O no hydrogen 2.705 N/A LEU 80.A N LYS 2.A O no hydrogen 3.093 N/A ASN 81.A N GLY 101.A O no hydrogen 2.968 N/A ASN 81.A ND2 VAL 94.A O no hydrogen 3.004 N/A ASN 81.A ND2 SER 102.A OG no hydrogen 2.963 N/A VAL 82.A N ALA 4.A O no hydrogen 2.861 N/A LEU 83.A N ILE 103.A O no hydrogen 2.894 N/A CYS 86.A SG GLN 88.A O no hydrogen 3.375 N/A SER 87.A OG GLN 8.A OE1 no hydrogen 3.108 N/A GLN 88.A NE2 PRO 57.A O no hydrogen 3.342 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.882 N/A VAL 94.A N PRO 91.A O no hydrogen 2.935 N/A ILE 95.A N PRO 91.A O no hydrogen 3.052 N/A ASP 96.A N MET 92.A O no hydrogen 2.736 N/A HIS 97.A N VAL 94.A O no hydrogen 3.228 N/A HIS 100.A N GLU 79.A O no hydrogen 2.827 N/A GLY 101.A N PRO 98.A O no hydrogen 2.985 N/A SER 102.A OG ILE 95.A O no hydrogen 2.881 N/A ILE 103.A N ASN 81.A O no hydrogen 2.981 N/A ILE 104.A N PHE 135.A O no hydrogen 2.796 N/A TYR 105.A N LEU 83.A O no hydrogen 3.180 N/A HIS 106.A N THR 133.A O no hydrogen 2.842 N/A HIS 106.A NE2 HIS 113.A O no hydrogen 2.656 N/A SER 108.A N HIS 106.A O no hydrogen 2.853 N/A SER 108.A OG ARG 112.A O no hydrogen 2.629 N/A SER 108.A OG HIS 113.A O no hydrogen 3.092 N/A LEU 110.A N THR 133.A OG1 no hydrogen 3.179 N/A ARG 112.A N LEU 109.A O no hydrogen 3.001 N/A ARG 112.A NE ASP 127.A OD2 no hydrogen 2.909 N/A ARG 112.A NH2 ASP 127.A OD1 no hydrogen 2.812 N/A ARG 112.A NH2 ASP 127.A OD2 no hydrogen 3.473 N/A HIS 113.A N THR 199.A OG1 no hydrogen 2.751 N/A HIS 113.A ND1 GLU 201.A OE1 no hydrogen 2.715 N/A HIS 113.A NE2 ASP 127.A OD2 no hydrogen 2.707 N/A ARG 114.A N THR 199.A O no hydrogen 2.980 N/A ARG 114.A NE ASP 142.A O no hydrogen 3.176 N/A ARG 114.A NE GLN 193.A OE1 no hydrogen 3.032 N/A ARG 114.A NH1 GLN 193.A OE1 no hydrogen 2.680 N/A GLY 115.A N ASP 142.A OD2 no hydrogen 2.874 N/A ASN 120.A ND2 ASN 227.A OD1 no hydrogen 3.574 N/A ASN 120.A ND2 VAL 230.A O no hydrogen 3.113 N/A TRP 121.A N SER 117.A O no hydrogen 3.211 N/A TRP 121.A NE1 CYS 202.A O no hydrogen 2.919 N/A THR 122.A N ALA 118.A O no hydrogen 2.936 N/A THR 122.A OG1 ALA 118.A O no hydrogen 2.742 N/A LEU 123.A N ILE 119.A O no hydrogen 3.307 N/A ILE 124.A N ASN 120.A O no hydrogen 2.804 N/A HIS 125.A N TRP 121.A O no hydrogen 3.154 N/A GLY 126.A N LEU 123.A O no hydrogen 3.047 N/A ASP 127.A N THR 122.A O no hydrogen 3.132 N/A LYS 129.A NZ ASP 153.A OD1 no hydrogen 2.504 N/A GLY 130.A N CYS 152.A O no hydrogen 2.889 N/A PHE 132.A N ARG 150.A O no hydrogen 3.013 N/A THR 133.A N HIS 106.A O no hydrogen 2.662 N/A THR 133.A OG1 SER 108.A O no hydrogen 2.695 N/A VAL 134.A N LEU 148.A O no hydrogen 2.873 N/A PHE 135.A N ILE 104.A O no hydrogen 3.056 N/A TRP 136.A N PRO 145.A O no hydrogen 2.737 N/A TRP 136.A NE1 PRO 189.A O no hydrogen 2.747 N/A ALA 137.A N SER 102.A O no hydrogen 2.988 N/A GLY 140.A N ASP 138.A OD1 no hydrogen 3.073 N/A THR 143.A OG1 ASP 138.A OD1 no hydrogen 2.785 N/A ILE 146.A N ILE 191.A O no hydrogen 2.645 N/A LEU 147.A N VAL 134.A O no hydrogen 2.727 N/A LEU 148.A N VAL 134.A O no hydrogen 3.193 N/A GLN 149.A NE2 LEU 110.A O no hydrogen 2.928 N/A GLN 149.A NE2 THR 133.A OG1 no hydrogen 2.818 N/A ARG 150.A N PHE 132.A O no hydrogen 3.065 N/A ARG 150.A NH1 GLN 149.A O no hydrogen 2.841 N/A CYS 152.A N GLY 130.A O no hydrogen 2.838 N/A CYS 152.A SG ASP 153.A O no hydrogen 3.765 N/A VAL 154.A N LYS 128.A O no hydrogen 2.855 N/A GLU 155.A N ASP 158.A OD2 no hydrogen 2.867 N/A ASP 158.A N GLU 155.A O no hydrogen 3.080 N/A ASN 159.A N SER 162.A OG no hydrogen 2.875 N/A ASN 159.A ND2 ASP 228.A OD1 no hydrogen 2.991 N/A VAL 160.A N ARG 225.A O no hydrogen 3.249 N/A VAL 160.A N ASP 228.A O no hydrogen 2.889 N/A SER 162.A N ASN 159.A OD1 no hydrogen 2.770 N/A SER 162.A OG ASP 158.A OD1 no hydrogen 2.621 N/A SER 162.A OG ASN 159.A O no hydrogen 3.080 N/A SER 162.A OG ASN 159.A OD1 no hydrogen 3.096 N/A ILE 163.A N ASN 159.A O no hydrogen 3.296 N/A TYR 164.A N VAL 160.A O no hydrogen 3.186 N/A LYS 165.A N ASN 161.A O no hydrogen 3.008 N/A ARG 166.A N SER 162.A O no hydrogen 2.925 N/A ARG 166.A NH1 ASP 158.A OD1 no hydrogen 2.887 N/A ARG 166.A NH1 ASP 158.A OD2 no hydrogen 3.547 N/A ARG 166.A NH2 ASP 153.A O no hydrogen 3.352 N/A ARG 166.A NH2 ASP 158.A OD2 no hydrogen 2.767 N/A PHE 167.A N ILE 163.A O no hydrogen 3.072 N/A LEU 168.A N ILE 163.A O no hydrogen 3.148 N/A PHE 169.A N TYR 164.A O no hydrogen 2.779 N/A GLU 171.A N PHE 167.A O no hydrogen 2.847 N/A GLY 172.A N LEU 168.A O no hydrogen 3.154 N/A VAL 173.A N PHE 169.A O no hydrogen 2.980 N/A LYS 174.A N PRO 170.A O no hydrogen 3.388 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 3.247 N/A GLY 175.A N GLU 171.A O no hydrogen 2.765 N/A MET 176.A N GLY 172.A O no hydrogen 2.984 N/A VAL 177.A N VAL 173.A O no hydrogen 3.131 N/A GLU 178.A N LYS 174.A O no hydrogen 2.824 N/A ALA 179.A N GLY 175.A O no hydrogen 2.911 N/A VAL 180.A N MET 176.A O no hydrogen 3.048 N/A ARG 181.A N VAL 177.A O no hydrogen 2.980 N/A ARG 181.A NE GLU 178.A OE2 no hydrogen 3.451 N/A ARG 181.A NH2 GLU 178.A OE2 no hydrogen 3.544 N/A LEU 182.A N GLU 178.A O no hydrogen 2.893 N/A ILE 183.A N ALA 179.A O no hydrogen 2.936 N/A ALA 184.A N VAL 180.A O no hydrogen 2.907 N/A THR 185.A N ARG 181.A O no hydrogen 3.280 N/A THR 185.A OG1 ARG 181.A O no hydrogen 3.315 N/A THR 185.A OG1 LEU 182.A O no hydrogen 3.083 N/A GLY 186.A N ILE 183.A O no hydrogen 3.008 N/A LYS 187.A N LEU 182.A O no hydrogen 2.889 N/A ALA 188.A N LEU 182.A O no hydrogen 3.181 N/A ILE 191.A N ILE 146.A O no hydrogen 2.880 N/A GLN 193.A NE2 ASP 142.A O no hydrogen 3.021 N/A GLN 193.A NE2 GLY 144.A O no hydrogen 2.793 N/A ALA 198.A N GLU 195.A O no hydrogen 3.179 N/A THR 199.A N PRO 111.A O no hydrogen 3.111 N/A THR 199.A OG1 GLU 201.A OE2 no hydrogen 2.898 N/A GLU 201.A N ARG 114.A O no hydrogen 3.157 N/A CYS 202.A SG ILE 203.A O no hydrogen 3.954 N/A GLN 204.A N SER 117.A OG no hydrogen 2.845 N/A GLN 204.A NE2 ASN 208.A O no hydrogen 3.450 N/A GLN 204.A NE2 ASN 227.A OD1 no hydrogen 3.081 N/A LYS 205.A N ASN 208.A OD1 no hydrogen 2.709 N/A LYS 206.A NZ PRO 231.A O no hydrogen 3.032 N/A LYS 206.A NZ GLY 232.A O no hydrogen 3.141 N/A LYS 206.A NZ SER 243.A OG no hydrogen 2.760 N/A ASN 208.A ND2 ILE 203.A O no hydrogen 3.162 N/A SER 209.A N LYS 206.A O no hydrogen 3.287 N/A SER 209.A OG LYS 205.A O no hydrogen 3.440 N/A SER 209.A OG LYS 206.A O no hydrogen 2.947 N/A SER 209.A OG GLY 232.A O no hydrogen 2.996 N/A ILE 211.A N TRP 234.A O no hydrogen 2.829 N/A ASN 214.A N ASP 212.A OD1 no hydrogen 3.122 N/A GLN 215.A NE2 ASP 212.A O no hydrogen 3.048 N/A ALA 217.A N ASP 284.A OD1 no hydrogen 3.089 N/A ALA 219.A N PRO 216.A O no hydrogen 3.028 N/A ILE 220.A N PRO 216.A O no hydrogen 3.330 N/A HIS 221.A N ALA 217.A O no hydrogen 2.844 N/A HIS 221.A ND1 SER 247.A OG no hydrogen 2.622 N/A HIS 221.A NE2 PRO 156.A O no hydrogen 2.894 N/A ASN 222.A N GLU 218.A O no hydrogen 2.975 N/A TRP 223.A N ALA 219.A O no hydrogen 2.989 N/A TRP 223.A NE1 SER 209.A O no hydrogen 2.889 N/A ILE 224.A N ILE 220.A O no hydrogen 2.934 N/A ARG 225.A N HIS 221.A O no hydrogen 3.019 N/A ARG 225.A NE ASN 222.A OD1 no hydrogen 2.786 N/A ARG 225.A NH1 GLU 155.A O no hydrogen 3.020 N/A ARG 225.A NH1 ASP 158.A O no hydrogen 2.835 N/A ARG 225.A NH2 ASN 222.A OD1 no hydrogen 2.885 N/A GLY 226.A N ASN 222.A O no hydrogen 2.776 N/A ASN 227.A N ILE 224.A O no hydrogen 3.214 N/A ASN 227.A ND2 TRP 223.A O no hydrogen 2.855 N/A ASP 228.A N ARG 225.A O no hydrogen 3.353 N/A ARG 229.A N ASN 161.A OD1 no hydrogen 3.081 N/A GLY 232.A N ASN 227.A O no hydrogen 2.648 N/A TRP 234.A N SER 209.A O no hydrogen 3.347 N/A TRP 234.A NE1 LYS 206.A O no hydrogen 2.716 N/A ALA 235.A N VAL 242.A O no hydrogen 2.968 N/A ILE 237.A N LYS 240.A O no hydrogen 2.727 N/A LYS 240.A N ILE 237.A O no hydrogen 2.892 N/A SER 241.A N GLU 296.A OE1 no hydrogen 3.333 N/A VAL 242.A N ALA 235.A O no hydrogen 2.893 N/A SER 243.A N GLN 294.A O no hydrogen 2.777 N/A PHE 244.A N ALA 233.A O no hydrogen 2.842 N/A TYR 245.A N ASN 292.A O no hydrogen 2.888 N/A TYR 245.A OH GLN 294.A OE1 no hydrogen 3.236 N/A GLY 246.A N ASP 228.A OD1 no hydrogen 2.981 N/A SER 247.A OG HIS 221.A ND1 no hydrogen 2.622 N/A THR 248.A N LEU 289.A O no hydrogen 3.001 N/A LEU 249.A N ASN 157.A OD1 no hydrogen 3.486 N/A LEU 250.A N MET 287.A O no hydrogen 2.947 N/A GLN 260.A N VAL 273.A O no hydrogen 2.785 N/A LEU 262.A N ALA 271.A O no hydrogen 2.988 N/A ALA 267.A N ILE 264.A O no hydrogen 2.998 N/A ARG 269.A NE ALA 270.A O no hydrogen 2.593 N/A ARG 269.A NH1 ALA 270.A O no hydrogen 2.791 N/A ALA 271.A N LEU 262.A O no hydrogen 2.839 N/A LEU 272.A N VAL 279.A O no hydrogen 2.862 N/A VAL 273.A N GLN 260.A O no hydrogen 2.671 N/A THR 274.A N GLY 277.A O no hydrogen 2.951 N/A THR 274.A OG1 GLY 277.A O no hydrogen 2.922 N/A ASN 276.A N THR 274.A OG1 no hydrogen 3.215 N/A GLY 277.A N THR 274.A O no hydrogen 3.180 N/A LEU 278.A N VAL 290.A O no hydrogen 2.793 N/A VAL 279.A N LEU 272.A O no hydrogen 2.779 N/A LEU 280.A N LEU 288.A O no hydrogen 2.829 N/A GLY 282.A N LYS 286.A O no hydrogen 3.061 N/A ASN 283.A N GLN 215.A O no hydrogen 2.816 N/A GLY 285.A N GLY 282.A O no hydrogen 3.016 N/A LYS 286.A N ASP 284.A OD1 no hydrogen 3.167 N/A LYS 286.A NZ GLU 251.A OE2 no hydrogen 2.946 N/A LEU 288.A N LEU 280.A O no hydrogen 3.035 N/A LEU 289.A N THR 248.A O no hydrogen 2.777 N/A VAL 290.A N LEU 278.A O no hydrogen 2.723 N/A LYS 291.A N GLY 246.A O no hydrogen 3.091 N/A LYS 291.A NZ GLY 246.A O no hydrogen 3.076 N/A ASN 292.A N TYR 245.A O no hydrogen 2.913 N/A LEU 293.A N ILE 301.A O no hydrogen 2.760 N/A GLN 294.A N SER 243.A O no hydrogen 3.021 N/A GLN 294.A NE2 GLY 298.A O no hydrogen 2.873 N/A ILE 301.A N LEU 293.A O no hydrogen 2.848 N/A GLY 303.A N LYS 291.A O no hydrogen 2.846 N/A GLN 305.A N PRO 302.A O no hydrogen 2.919 N/A GLN 305.A NE2 SER 304.A OG no hydrogen 2.980 N/A TYR 306.A N GLY 303.A O no hydrogen 3.384 N/A TYR 306.A OH ASP 238.A OD2 no hydrogen 2.880 N/A LYS 308.A N GLN 305.A O no hydrogen 3.002 N/A