Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pej_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ARG 28.A O no hydrogen 2.545 N/A ARG 3.A N GLU 29.A OE1 no hydrogen 2.940 N/A ARG 3.A NE GLU 29.A OE1 no hydrogen 2.964 N/A ARG 3.A NH2 GLU 29.A OE2 no hydrogen 2.944 N/A LEU 4.A N GLU 29.A O no hydrogen 2.893 N/A GLU 5.A N LYS 2.A O no hydrogen 3.166 N/A GLY 6.A N GLY 30.A O no hydrogen 3.066 N/A LYS 7.A N LEU 4.A O no hydrogen 2.886 N/A SER 8.A N ASP 82.A OD2 no hydrogen 2.853 N/A SER 8.A OG GLY 80.A O no hydrogen 2.594 N/A ALA 9.A N THR 32.A O no hydrogen 2.636 N/A LEU 10.A N ILE 83.A O no hydrogen 2.747 N/A ILE 11.A N ALA 34.A O no hydrogen 3.150 N/A THR 12.A N VAL 85.A O no hydrogen 2.906 N/A THR 12.A OG1 VAL 85.A O no hydrogen 3.478 N/A SER 14.A N ALA 36.A O no hydrogen 2.895 N/A SER 14.A OG ILE 11.A O no hydrogen 2.844 N/A SER 14.A OG ALA 36.A O no hydrogen 3.516 N/A ALA 15.A N ASP 37.A OD2 no hydrogen 2.943 N/A ARG 20.A N ARG 16.A O no hydrogen 3.340 N/A ARG 20.A NH1 GLU 49.A OE1 no hydrogen 2.862 N/A ARG 20.A NH2 GLU 49.A OE1 no hydrogen 2.697 N/A ALA 21.A N GLY 17.A O no hydrogen 3.130 N/A PHE 22.A N ILE 18.A O no hydrogen 2.814 N/A ALA 23.A N GLY 19.A O no hydrogen 2.898 N/A GLU 24.A N ARG 20.A O no hydrogen 2.958 N/A ALA 25.A N ALA 21.A O no hydrogen 2.922 N/A TYR 26.A N PHE 22.A O no hydrogen 2.812 N/A TYR 26.A OH ALA 232.A O no hydrogen 2.754 N/A VAL 27.A N ALA 23.A O no hydrogen 3.046 N/A ARG 28.A N GLU 24.A O no hydrogen 3.096 N/A ARG 28.A NH1 GLU 24.A OE1 no hydrogen 3.411 N/A ARG 28.A NH2 GLU 24.A OE1 no hydrogen 3.467 N/A GLU 29.A N ALA 25.A O no hydrogen 3.099 N/A GLU 29.A N TYR 26.A O no hydrogen 3.047 N/A GLY 30.A N VAL 27.A O no hydrogen 2.950 N/A ALA 31.A N TYR 26.A O no hydrogen 2.976 N/A THR 32.A N LYS 7.A O no hydrogen 2.770 N/A VAL 33.A N ALA 53.A O no hydrogen 2.974 N/A ALA 34.A N ALA 9.A O no hydrogen 2.889 N/A ILE 35.A N TYR 55.A O no hydrogen 2.752 N/A ALA 36.A N ILE 11.A O no hydrogen 3.263 N/A ASP 37.A N VAL 57.A O no hydrogen 2.976 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.795 N/A ARG 42.A N ASP 39.A OD1 no hydrogen 3.083 N/A ARG 42.A NH1 GLN 45.A OE1 no hydrogen 2.548 N/A ALA 43.A N ASP 39.A O no hydrogen 2.949 N/A ARG 44.A N ILE 40.A O no hydrogen 2.829 N/A GLN 45.A N GLU 41.A O no hydrogen 3.108 N/A ALA 46.A N ARG 42.A O no hydrogen 2.942 N/A ALA 47.A N ALA 43.A O no hydrogen 2.941 N/A ALA 48.A N ARG 44.A O no hydrogen 3.105 N/A GLU 49.A N GLN 45.A O no hydrogen 2.844 N/A ILE 50.A N ALA 46.A O no hydrogen 2.848 N/A GLY 51.A N ALA 47.A O no hydrogen 2.992 N/A ALA 54.A N GLY 51.A O no hydrogen 3.203 N/A TYR 55.A N VAL 33.A O no hydrogen 3.082 N/A TYR 55.A OH THR 74.A OG1 no hydrogen 3.355 N/A VAL 57.A N ILE 35.A O no hydrogen 2.888 N/A MET 59.A N ASP 37.A O no hydrogen 2.893 N/A ASP 60.A N SER 66.A OG no hydrogen 2.882 N/A THR 62.A N ASP 60.A OD1 no hydrogen 2.994 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.525 N/A THR 62.A OG1 ASP 60.A OD2 no hydrogen 3.006 N/A ARG 63.A N ASP 60.A O no hydrogen 3.164 N/A ARG 63.A NH2 ASP 65.A OD2 no hydrogen 2.825 N/A GLN 64.A NE2 ASP 68.A OD1 no hydrogen 3.079 N/A GLN 64.A NE2 ASP 68.A OD2 no hydrogen 2.864 N/A SER 66.A OG ASP 60.A O no hydrogen 3.382 N/A ILE 67.A N ARG 63.A O no hydrogen 2.943 N/A ASP 68.A N GLN 64.A O no hydrogen 2.880 N/A ALA 69.A N ASP 65.A O no hydrogen 3.014 N/A ALA 70.A N SER 66.A O no hydrogen 3.072 N/A ALA 70.A N ILE 67.A O no hydrogen 3.028 N/A ILE 71.A N ILE 67.A O no hydrogen 3.085 N/A ALA 72.A N ASP 68.A O no hydrogen 3.091 N/A ALA 73.A N ALA 69.A O no hydrogen 2.897 N/A THR 74.A N ALA 70.A O no hydrogen 2.829 N/A THR 74.A OG1 TYR 55.A OH no hydrogen 3.355 N/A THR 74.A OG1 ALA 70.A O no hydrogen 3.344 N/A VAL 75.A N ILE 71.A O no hydrogen 2.925 N/A GLU 76.A N ALA 72.A O no hydrogen 2.761 N/A HIS 77.A N ALA 73.A O no hydrogen 2.931 N/A ALA 78.A N THR 74.A O no hydrogen 2.694 N/A GLY 79.A N VAL 75.A O no hydrogen 2.734 N/A LEU 81.A N GLN 129.A OE1 no hydrogen 2.863 N/A ASP 82.A N SER 8.A O no hydrogen 2.762 N/A ILE 83.A N SER 8.A O no hydrogen 3.097 N/A LEU 84.A N LYS 134.A O no hydrogen 2.940 N/A VAL 85.A N LEU 10.A O no hydrogen 2.890 N/A ASN 86.A N ILE 136.A O no hydrogen 2.858 N/A ASN 86.A ND2 ASN 137.A OD1 no hydrogen 2.911 N/A ASN 87.A N THR 12.A OG1 no hydrogen 2.736 N/A ASN 87.A ND2 THR 12.A O no hydrogen 3.163 N/A ALA 88.A N THR 12.A OG1 no hydrogen 2.926 N/A LEU 90.A N ASN 111.A OD1 no hydrogen 2.782 N/A LEU 93.A N ASP 92.A OD1 no hydrogen 2.845 N/A ALA 94.A N LEU 149.A O no hydrogen 2.863 N/A GLU 98.A N PRO 95.A O no hydrogen 3.006 N/A ILE 99.A N ILE 96.A O no hydrogen 3.224 N/A SER 103.A N THR 100.A OG1 no hydrogen 2.835 N/A SER 103.A OG ASP 92.A OD2 no hydrogen 2.438 N/A TYR 104.A N THR 100.A O no hydrogen 3.118 N/A GLU 105.A N ARG 101.A O no hydrogen 2.831 N/A LYS 106.A N GLU 102.A O no hydrogen 2.983 N/A LEU 107.A N SER 103.A O no hydrogen 2.973 N/A PHE 108.A N TYR 104.A O no hydrogen 2.996 N/A ALA 109.A N GLU 105.A O no hydrogen 2.971 N/A ILE 110.A N LYS 106.A O no hydrogen 3.294 N/A ASN 111.A N LEU 107.A O no hydrogen 2.732 N/A ASN 111.A ND2 LEU 90.A O no hydrogen 2.982 N/A ASN 111.A ND2 THR 156.A OG1 no hydrogen 3.004 N/A VAL 112.A N PHE 108.A O no hydrogen 3.104 N/A ALA 113.A N PHE 108.A O no hydrogen 2.879 N/A GLY 114.A N ALA 109.A O no hydrogen 2.779 N/A THR 115.A OG1 ASN 111.A O no hydrogen 3.361 N/A LEU 116.A N VAL 112.A O no hydrogen 2.892 N/A PHE 117.A N ALA 113.A O no hydrogen 2.852 N/A THR 118.A N GLY 114.A O no hydrogen 3.155 N/A THR 118.A OG1 GLY 114.A O no hydrogen 2.764 N/A LEU 119.A N THR 115.A O no hydrogen 2.953 N/A GLN 120.A N LEU 116.A O no hydrogen 2.877 N/A ALA 121.A N PHE 117.A O no hydrogen 3.136 N/A ALA 122.A N THR 118.A O no hydrogen 2.832 N/A ALA 123.A N LEU 119.A O no hydrogen 2.747 N/A ARG 124.A N GLN 120.A O no hydrogen 3.018 N/A GLN 125.A N ALA 121.A O no hydrogen 3.207 N/A GLN 125.A NE2 GLN 129.A OE1 no hydrogen 2.788 N/A MET 126.A N ALA 122.A O no hydrogen 2.906 N/A ILE 127.A N ALA 123.A O no hydrogen 2.703 N/A ALA 128.A N ARG 124.A O no hydrogen 2.899 N/A GLN 129.A N GLN 125.A O no hydrogen 2.951 N/A GLN 129.A NE2 LEU 81.A O no hydrogen 2.920 N/A GLY 130.A N MET 126.A O no hydrogen 3.118 N/A GLY 130.A N ILE 127.A O no hydrogen 3.086 N/A ARG 131.A NH1 ASP 82.A OD1 no hydrogen 2.885 N/A GLY 133.A N ARG 175.A O no hydrogen 2.999 N/A LYS 134.A N ASP 82.A O no hydrogen 2.835 N/A LYS 134.A NZ ASN 177.A OD1 no hydrogen 3.180 N/A LYS 134.A NZ SER 237.A O no hydrogen 2.930 N/A LYS 134.A NZ SER 240.A OG no hydrogen 2.987 N/A LYS 134.A NZ ASP 241.A OD1 no hydrogen 3.021 N/A ILE 135.A N ASN 177.A O no hydrogen 2.736 N/A ILE 136.A N LEU 84.A O no hydrogen 2.905 N/A ASN 137.A N ASN 179.A O no hydrogen 2.878 N/A ASN 137.A ND2 THR 164.A OG1 no hydrogen 2.784 N/A MET 138.A N ASN 86.A O no hydrogen 3.078 N/A ALA 139.A N ILE 181.A O no hydrogen 2.690 N/A GLN 141.A N PRO 183.A O no hydrogen 2.929 N/A ALA 142.A N SER 140.A OG no hydrogen 2.797 N/A GLY 143.A N SER 140.A O no hydrogen 2.909 N/A ARG 144.A N GLN 141.A O no hydrogen 2.898 N/A ARG 144.A NE ASN 249.A OD1 no hydrogen 2.995 N/A ARG 144.A NH2 ASN 249.A OD1 no hydrogen 2.917 N/A ARG 145.A NH1 ARG 145.A O no hydrogen 2.821 N/A ARG 145.A NH1 GLU 147.A OE1 no hydrogen 2.762 N/A ARG 145.A NH2 GLU 147.A OE1 no hydrogen 3.357 N/A VAL 150.A N GLU 147.A O no hydrogen 3.034 N/A CYS 154.A N VAL 150.A O no hydrogen 2.917 N/A CYS 154.A SG ARG 145.A O no hydrogen 3.937 N/A CYS 154.A SG VAL 150.A O no hydrogen 2.920 N/A ALA 155.A N ALA 151.A O no hydrogen 3.027 N/A THR 156.A N ILE 152.A O no hydrogen 3.024 N/A THR 156.A OG1 TYR 153.A O no hydrogen 2.577 N/A LYS 157.A N TYR 153.A O no hydrogen 3.024 N/A LYS 157.A NZ MET 138.A O no hydrogen 3.005 N/A ALA 158.A N CYS 154.A O no hydrogen 2.831 N/A ALA 159.A N ALA 155.A O no hydrogen 2.880 N/A VAL 160.A N THR 156.A O no hydrogen 2.913 N/A ILE 161.A N LYS 157.A O no hydrogen 3.055 N/A SER 162.A N ALA 158.A O no hydrogen 3.083 N/A LEU 163.A N ALA 159.A O no hydrogen 2.781 N/A THR 164.A N VAL 160.A O no hydrogen 2.754 N/A THR 164.A OG1 VAL 160.A O no hydrogen 2.672 N/A GLN 165.A N ILE 161.A O no hydrogen 3.148 N/A GLN 165.A N SER 162.A O no hydrogen 2.955 N/A SER 166.A N SER 162.A O no hydrogen 3.049 N/A SER 166.A OG SER 162.A O no hydrogen 3.496 N/A ALA 167.A N LEU 163.A O no hydrogen 2.959 N/A GLY 168.A N THR 164.A O no hydrogen 3.009 N/A LEU 169.A N GLN 165.A O no hydrogen 3.049 N/A ASP 170.A N SER 166.A O no hydrogen 2.990 N/A LEU 171.A N ALA 167.A O no hydrogen 2.807 N/A ILE 172.A N GLY 168.A O no hydrogen 3.258 N/A LYS 173.A NZ ASP 170.A O no hydrogen 2.999 N/A LYS 173.A NZ ASP 170.A OD1 no hydrogen 3.512 N/A HIS 174.A N LEU 171.A O no hydrogen 2.851 N/A ARG 175.A N ILE 172.A O no hydrogen 2.787 N/A ILE 176.A N LEU 171.A O no hydrogen 3.395 N/A ASN 177.A N GLY 133.A O no hydrogen 3.019 N/A ASN 177.A ND2 ASP 241.A O no hydrogen 2.843 N/A ASN 177.A ND2 ILE 243.A O no hydrogen 2.864 N/A ASN 179.A N ILE 135.A O no hydrogen 3.073 N/A ASN 179.A ND2 ILE 243.A O no hydrogen 2.831 N/A ALA 180.A N GLN 246.A O no hydrogen 2.762 N/A ILE 181.A N ASN 137.A O no hydrogen 2.862 N/A ALA 182.A N TYR 248.A O no hydrogen 3.066 N/A ASP 187.A N GLY 223.A O no hydrogen 2.765 N/A ASP 192.A N GLY 188.A O no hydrogen 2.981 N/A ASP 192.A N GLU 189.A O no hydrogen 2.821 N/A GLY 193.A N GLU 189.A O no hydrogen 3.196 N/A VAL 194.A N HIS 190.A O no hydrogen 3.123 N/A ASP 195.A N TRP 191.A O no hydrogen 3.063 N/A ALA 196.A N ASP 192.A O no hydrogen 3.153 N/A LEU 197.A N GLY 193.A O no hydrogen 3.083 N/A PHE 198.A N VAL 194.A O no hydrogen 3.109 N/A ALA 199.A N ASP 195.A O no hydrogen 2.730 N/A ARG 200.A N ALA 196.A O no hydrogen 3.050 N/A TYR 201.A N LEU 197.A O no hydrogen 3.128 N/A TYR 201.A OH GLU 98.A OE1 no hydrogen 3.314 N/A GLU 202.A N PHE 198.A O no hydrogen 2.651 N/A ARG 204.A N ALA 199.A O no hydrogen 3.057 N/A ARG 204.A NE GLU 202.A OE1 no hydrogen 2.733 N/A ARG 204.A NH1 GLU 208.A OE1 no hydrogen 2.783 N/A ARG 204.A NH2 GLU 202.A OE1 no hydrogen 3.276 N/A GLY 207.A N ASP 195.A OD1 no hydrogen 2.733 N/A GLU 208.A N PRO 205.A O no hydrogen 3.180 N/A LYS 209.A NZ GLU 202.A OE1 no hydrogen 2.975 N/A LYS 209.A NZ GLU 202.A OE2 no hydrogen 3.358 N/A LYS 210.A N ASP 195.A OD2 no hydrogen 2.988 N/A LYS 210.A NZ ASP 187.A OD1 no hydrogen 2.724 N/A LYS 210.A NZ ASP 192.A OD1 no hydrogen 3.522 N/A ARG 211.A N GLY 207.A O no hydrogen 3.119 N/A LEU 212.A N GLU 208.A O no hydrogen 2.931 N/A VAL 213.A N LYS 209.A O no hydrogen 2.917 N/A GLY 214.A N LYS 210.A O no hydrogen 3.300 N/A GLU 215.A N ARG 211.A O no hydrogen 3.046 N/A ALA 216.A N LEU 212.A O no hydrogen 3.019 N/A ALA 216.A N VAL 213.A O no hydrogen 3.171 N/A VAL 217.A N GLY 214.A O no hydrogen 3.421 N/A PHE 219.A N GLY 252.A O no hydrogen 2.911 N/A ARG 221.A NH1 MET 222.A O no hydrogen 2.935 N/A ARG 221.A NH1 ASP 227.A OD2 no hydrogen 2.983 N/A ARG 221.A NH2 ASP 227.A OD1 no hydrogen 2.877 N/A GLY 223.A N VAL 185.A O no hydrogen 2.697 N/A THR 224.A N ASP 227.A OD2 no hydrogen 2.957 N/A ASP 227.A N THR 224.A O no hydrogen 3.253 N/A ASP 227.A N THR 224.A OG1 no hydrogen 3.287 N/A LEU 228.A N ALA 225.A O no hydrogen 3.015 N/A THR 229.A N GLU 226.A O no hydrogen 3.332 N/A THR 229.A OG1 GLU 226.A O no hydrogen 3.131 N/A ALA 232.A N LEU 228.A O no hydrogen 3.116 N/A ILE 233.A N THR 229.A O no hydrogen 2.938 N/A PHE 234.A N GLY 230.A O no hydrogen 2.896 N/A LEU 235.A N MET 231.A O no hydrogen 2.925 N/A ALA 236.A N ILE 233.A O no hydrogen 2.999 N/A SER 237.A N PHE 234.A O no hydrogen 2.973 N/A SER 237.A OG PHE 234.A O no hydrogen 2.772 N/A GLU 239.A N SER 237.A OG no hydrogen 3.304 N/A SER 240.A N SER 237.A O no hydrogen 3.276 N/A SER 240.A OG PHE 234.A O no hydrogen 3.008 N/A SER 240.A OG SER 237.A O no hydrogen 2.895 N/A ASP 241.A N ALA 238.A O no hydrogen 3.023 N/A ILE 243.A N SER 240.A O no hydrogen 2.777 N/A SER 245.A N VAL 178.A O no hydrogen 2.873 N/A SER 245.A OG GLN 165.A O no hydrogen 2.787 N/A GLN 246.A N ASN 179.A OD1 no hydrogen 2.767 N/A GLN 246.A NE2 VAL 244.A O no hydrogen 2.710 N/A TYR 248.A N ALA 180.A O no hydrogen 2.977 N/A ASN 249.A ND2 TRP 255.A O no hydrogen 2.969 N/A ASN 249.A ND2 SER 257.A OG no hydrogen 2.694 N/A VAL 250.A N ALA 182.A O no hydrogen 3.086 N/A GLY 253.A N ASP 251.A OD1 no hydrogen 2.929 N/A ASN 254.A N ASP 251.A O no hydrogen 3.024 N/A ASN 254.A ND2 GLN 141.A OE1 no hydrogen 2.818 N/A TRP 255.A N ASP 251.A OD2 no hydrogen 2.733 N/A