Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kb8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N TYR 7.A O no hydrogen 2.706 N/A ARG 6.A N GLY 4.A O no hydrogen 2.883 N/A ARG 6.A NE ASP 26.A OD1 no hydrogen 2.946 N/A ARG 6.A NH2 ASP 26.A OD1 no hydrogen 3.234 N/A TYR 7.A N VAL 3.A O no hydrogen 2.833 N/A ARG 8.A N THR 25.A O no hydrogen 3.011 N/A LEU 9.A N LEU 1.A O no hydrogen 2.707 N/A GLY 10.A N LEU 23.A O no hydrogen 2.765 N/A LYS 12.A NZ ASP 20.A OD2 no hydrogen 3.185 N/A ILE 13.A N ILE 21.A O no hydrogen 2.746 N/A SER 15.A OG GLY 16.A O no hydrogen 3.387 N/A SER 15.A OG GLY 19.A O no hydrogen 3.529 N/A SER 15.A OG ASP 20.A OD1 no hydrogen 3.278 N/A GLY 16.A N GLY 19.A O no hydrogen 2.794 N/A SER 17.A N ASP 147.A OD2 no hydrogen 2.910 N/A SER 17.A OG ASP 147.A OD1 no hydrogen 2.553 N/A ILE 21.A N GLY 14.A O no hydrogen 3.256 N/A TYR 22.A N ILE 35.A O no hydrogen 2.748 N/A LEU 23.A N ARG 11.A O no hydrogen 2.808 N/A GLY 24.A N VAL 33.A O no hydrogen 2.904 N/A THR 25.A N ARG 8.A O no hydrogen 3.047 N/A THR 25.A OG1 GLU 32.A OE2 no hydrogen 2.625 N/A ASP 26.A N GLU 31.A O no hydrogen 2.663 N/A ILE 27.A N ARG 6.A O no hydrogen 2.773 N/A ALA 29.A N ASP 26.A OD1 no hydrogen 3.139 N/A GLY 30.A N ASP 26.A O no hydrogen 2.936 N/A GLU 31.A N ASP 26.A O no hydrogen 3.301 N/A VAL 33.A N GLY 24.A O no hydrogen 2.753 N/A ALA 34.A N MET 80.A O no hydrogen 2.828 N/A ILE 35.A N TYR 22.A O no hydrogen 2.782 N/A LYS 36.A N MET 78.A O no hydrogen 2.849 N/A LYS 36.A NZ SER 17.A O no hydrogen 3.016 N/A LYS 36.A NZ GLU 50.A OE1 no hydrogen 3.525 N/A LYS 36.A NZ GLU 50.A OE2 no hydrogen 2.885 N/A LEU 37.A N ASP 20.A O no hydrogen 3.109 N/A GLU 38.A N ASN 76.A O no hydrogen 2.920 N/A VAL 40.A N ASP 74.A O no hydrogen 3.005 N/A THR 42.A N CYS 39.A O no hydrogen 3.183 N/A THR 42.A OG1 CYS 39.A O no hydrogen 3.088 N/A GLN 46.A N GLU 38.A OE2 no hydrogen 2.722 N/A LEU 47.A N GLU 38.A OE1 no hydrogen 3.433 N/A LEU 47.A N GLU 38.A OE2 no hydrogen 3.014 N/A GLU 50.A N GLN 46.A O no hydrogen 2.949 N/A SER 51.A N LEU 47.A O no hydrogen 3.048 N/A SER 51.A OG LEU 47.A O no hydrogen 2.855 N/A LYS 52.A N HIS 48.A O no hydrogen 3.235 N/A ILE 53.A N ILE 49.A O no hydrogen 3.219 N/A TYR 54.A N GLU 50.A O no hydrogen 2.946 N/A LYS 55.A N SER 51.A O no hydrogen 2.902 N/A MET 56.A N LYS 52.A O no hydrogen 3.017 N/A MET 57.A N ILE 53.A O no hydrogen 2.958 N/A GLN 58.A N LYS 55.A O no hydrogen 3.339 N/A GLN 58.A NE2 TYR 54.A O no hydrogen 2.908 N/A GLN 58.A NE2 PRO 64.A O no hydrogen 2.996 N/A GLY 60.A N MET 57.A O no hydrogen 3.288 N/A ILE 63.A N GLY 60.A O no hydrogen 3.324 N/A THR 65.A N GLU 81.A OE1 no hydrogen 2.900 N/A THR 65.A OG1 GLU 81.A OE1 no hydrogen 3.317 N/A ARG 67.A N VAL 79.A O no hydrogen 2.672 N/A CYS 69.A SG SER 51.A OG no hydrogen 3.047 N/A CYS 69.A SG VAL 77.A O no hydrogen 3.725 N/A GLY 70.A N VAL 77.A O no hydrogen 2.958 N/A GLU 72.A N TYR 75.A O no hydrogen 2.841 N/A TYR 75.A N GLU 72.A O no hydrogen 2.832 N/A ASN 76.A N GLU 38.A O no hydrogen 2.567 N/A VAL 77.A N GLY 70.A O no hydrogen 2.679 N/A MET 78.A N LYS 36.A O no hydrogen 2.954 N/A VAL 79.A N TRP 68.A O no hydrogen 2.775 N/A MET 80.A N ALA 34.A O no hydrogen 2.801 N/A GLU 81.A N THR 65.A O no hydrogen 3.087 N/A GLY 84.A N MET 134.A O no hydrogen 2.714 N/A SER 86.A N ASP 89.A OD2 no hydrogen 3.429 N/A LEU 87.A N PHE 132.A O no hydrogen 2.904 N/A ASP 89.A N SER 86.A OG no hydrogen 3.046 N/A LEU 90.A N SER 86.A O no hydrogen 2.964 N/A PHE 91.A N LEU 87.A O no hydrogen 2.786 N/A ASN 92.A N GLU 88.A O no hydrogen 3.062 N/A PHE 93.A N ASP 89.A O no hydrogen 2.947 N/A CYS 94.A N LEU 90.A O no hydrogen 2.982 N/A CYS 94.A N PHE 91.A O no hydrogen 3.128 N/A CYS 94.A SG LEU 90.A O no hydrogen 3.272 N/A SER 95.A N ASN 92.A O no hydrogen 3.189 N/A ARG 96.A N PHE 91.A O no hydrogen 2.813 N/A ARG 96.A NH1 GLU 88.A OE1 no hydrogen 3.236 N/A ARG 96.A NH1 ASN 92.A OD1 no hydrogen 2.750 N/A ARG 96.A NH2 TYR 185.A OH no hydrogen 2.649 N/A ARG 96.A NH2 GLY 189.A O no hydrogen 3.180 N/A SER 99.A N ASP 261.A OD2 no hydrogen 2.648 N/A SER 99.A OG ASP 261.A OD1 no hydrogen 2.715 N/A SER 99.A OG ASP 261.A OD2 no hydrogen 3.451 N/A LYS 101.A NZ SER 255.A O no hydrogen 3.492 N/A LYS 101.A NZ ASP 257.A OD1 no hydrogen 2.847 N/A LYS 101.A NZ ASP 257.A OD2 no hydrogen 3.360 N/A THR 102.A N SER 99.A OG no hydrogen 3.250 N/A VAL 103.A N SER 99.A O no hydrogen 3.144 N/A LEU 104.A N LEU 100.A O no hydrogen 2.958 N/A LEU 105.A N LYS 101.A O no hydrogen 2.891 N/A LEU 106.A N THR 102.A O no hydrogen 2.938 N/A ALA 107.A N VAL 103.A O no hydrogen 2.841 N/A ASP 108.A N LEU 104.A O no hydrogen 3.164 N/A GLN 109.A NE2 ASN 141.A O no hydrogen 2.904 N/A MET 110.A N LEU 106.A O no hydrogen 2.918 N/A ILE 111.A N ALA 107.A O no hydrogen 2.989 N/A SER 112.A N ASP 108.A O no hydrogen 3.433 N/A SER 112.A OG ASP 108.A O no hydrogen 3.209 N/A ARG 113.A N GLN 109.A O no hydrogen 2.880 N/A ARG 113.A NE VAL 143.A O no hydrogen 2.728 N/A ARG 113.A NH2 GLN 109.A OE1 no hydrogen 2.904 N/A ILE 114.A N MET 110.A O no hydrogen 3.146 N/A GLU 115.A N ILE 111.A O no hydrogen 2.949 N/A TYR 116.A N SER 112.A O no hydrogen 3.043 N/A TYR 116.A OH MET 57.A O no hydrogen 3.119 N/A ILE 117.A N ARG 113.A O no hydrogen 3.204 N/A HIS 118.A N ILE 114.A O no hydrogen 3.046 N/A HIS 118.A ND1 TYR 238.A OH no hydrogen 2.595 N/A HIS 118.A NE2 ASP 175.A OD2 no hydrogen 2.650 N/A SER 119.A N GLU 115.A O no hydrogen 2.876 N/A SER 119.A OG TYR 116.A O no hydrogen 2.584 N/A LYS 120.A N TYR 116.A O no hydrogen 3.186 N/A LYS 120.A N ILE 117.A O no hydrogen 3.055 N/A ASN 121.A N HIS 118.A O no hydrogen 3.077 N/A PHE 122.A N ILE 117.A O no hydrogen 3.266 N/A ILE 123.A N LYS 152.A O no hydrogen 2.926 N/A HIS 124.A N ASP 175.A OD2 no hydrogen 2.889 N/A HIS 124.A NE2 ILE 146.A O no hydrogen 2.927 N/A ARG 125.A N ASP 175.A OD1 no hydrogen 2.913 N/A ARG 125.A NE LEU 150.A O no hydrogen 2.739 N/A ARG 125.A NH2 LEU 150.A O no hydrogen 2.916 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 3.093 N/A LYS 128.A NZ ASP 130.A OD2 no hydrogen 3.156 N/A ASN 131.A N LYS 128.A O no hydrogen 3.126 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.997 N/A PHE 132.A N PRO 129.A O no hydrogen 3.334 N/A LEU 133.A N TYR 144.A O no hydrogen 2.876 N/A MET 134.A N PRO 85.A O no hydrogen 3.047 N/A GLY 135.A N LEU 142.A O no hydrogen 2.953 N/A LYS 139.A N LEU 136.A O no hydrogen 3.031 N/A GLY 140.A N GLY 137.A O no hydrogen 3.111 N/A LEU 142.A N LYS 139.A O no hydrogen 3.070 N/A VAL 143.A N GLN 109.A OE1 no hydrogen 2.864 N/A TYR 144.A N LEU 133.A O no hydrogen 2.672 N/A ILE 145.A N GLY 62.A O no hydrogen 2.999 N/A ILE 146.A N ASN 131.A O no hydrogen 2.867 N/A ASP 147.A N TYR 54.A OH no hydrogen 2.971 N/A PHE 148.A N GLU 50.A OE1 no hydrogen 2.924 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 3.171 N/A ALA 151.A N PHE 148.A O no hydrogen 3.246 N/A LYS 152.A N ILE 123.A O no hydrogen 3.113 N/A LYS 152.A NZ GLU 169.A OE2 no hydrogen 3.045 N/A TYR 154.A N ASN 121.A O no hydrogen 2.959 N/A TYR 154.A OH HIS 118.A O no hydrogen 2.600 N/A THR 156.A OG1 ASP 126.A OD1 no hydrogen 3.024 N/A ARG 158.A NH1 TYR 159.A OH no hydrogen 3.079 N/A TYR 159.A N THR 156.A O no hydrogen 3.300 N/A ALA 160.A N ALA 157.A O no hydrogen 3.375 N/A SER 161.A OG THR 164.A OG1 no hydrogen 2.862 N/A SER 161.A OG ASP 174.A OD1 no hydrogen 2.650 N/A ILE 162.A N GLU 177.A OE2 no hydrogen 3.035 N/A ASN 163.A ND2 ASP 174.A OD1 no hydrogen 3.048 N/A THR 164.A N SER 161.A OG no hydrogen 3.060 N/A THR 164.A OG1 SER 161.A OG no hydrogen 2.862 N/A HIS 165.A N SER 161.A O no hydrogen 3.193 N/A LEU 166.A N ILE 162.A O no hydrogen 2.974 N/A GLY 167.A N THR 164.A O no hydrogen 2.895 N/A ILE 168.A N ASN 163.A O no hydrogen 2.965 N/A GLN 170.A NE2 ARG 125.A O no hydrogen 3.311 N/A SER 171.A N ASP 174.A OD2 no hydrogen 2.685 N/A SER 171.A OG ASP 174.A OD2 no hydrogen 3.487 N/A SER 171.A OG PHE 232.A O no hydrogen 2.886 N/A ARG 172.A NH2 ASP 233.A O no hydrogen 2.965 N/A ARG 173.A NH1 LEU 230.A O no hydrogen 2.956 N/A ASP 174.A N SER 171.A O no hydrogen 3.131 N/A LEU 176.A N ARG 172.A O no hydrogen 3.419 N/A GLU 177.A N ARG 173.A O no hydrogen 2.851 N/A SER 178.A N ASP 174.A O no hydrogen 3.051 N/A SER 178.A OG TYR 159.A O no hydrogen 2.668 N/A SER 178.A OG ASP 174.A O no hydrogen 3.150 N/A LEU 179.A N ASP 175.A O no hydrogen 3.197 N/A GLY 180.A N LEU 176.A O no hydrogen 3.140 N/A TYR 181.A N GLU 177.A O no hydrogen 3.173 N/A TYR 181.A OH GLU 177.A OE2 no hydrogen 2.650 N/A VAL 182.A N SER 178.A O no hydrogen 2.933 N/A LEU 183.A N LEU 179.A O no hydrogen 2.808 N/A MET 184.A N GLY 180.A O no hydrogen 3.219 N/A TYR 185.A N TYR 181.A O no hydrogen 2.847 N/A TYR 185.A OH GLU 88.A OE1 no hydrogen 3.000 N/A TYR 185.A OH GLU 88.A OE2 no hydrogen 3.087 N/A PHE 186.A N VAL 182.A O no hydrogen 3.032 N/A ASN 187.A N LEU 183.A O no hydrogen 3.112 N/A LEU 188.A N MET 184.A O no hydrogen 2.860 N/A GLY 189.A N TYR 185.A O no hydrogen 2.849 N/A SER 190.A OG LEU 191.A O no hydrogen 3.189 N/A SER 190.A OG GLN 194.A OE1 no hydrogen 3.428 N/A LEU 191.A N GLN 194.A OE1 no hydrogen 3.026 N/A TRP 193.A NE1 ARG 158.A O no hydrogen 2.770 N/A GLN 194.A N LEU 191.A O no hydrogen 3.106 N/A GLU 202.A N GLU 198.A O no hydrogen 3.395 N/A LYS 203.A N ARG 199.A O no hydrogen 3.037 N/A LYS 204.A N ILE 200.A O no hydrogen 2.860 N/A LYS 204.A NZ ALA 157.A O no hydrogen 2.721 N/A LYS 204.A NZ ARG 158.A O no hydrogen 3.525 N/A LYS 204.A NZ ALA 160.A O no hydrogen 2.624 N/A LYS 204.A NZ HIS 165.A NE2 no hydrogen 2.684 N/A MET 205.A N SER 201.A O no hydrogen 2.971 N/A SER 206.A N GLU 202.A O no hydrogen 3.028 N/A SER 206.A OG GLU 202.A O no hydrogen 2.907 N/A SER 206.A OG LYS 203.A O no hydrogen 3.324 N/A THR 207.A N LYS 204.A O no hydrogen 3.327 N/A THR 207.A OG1 LYS 203.A O no hydrogen 2.436 N/A THR 207.A OG1 LYS 204.A O no hydrogen 3.109 N/A VAL 211.A N PRO 208.A O no hydrogen 2.989 N/A LEU 212.A N PRO 208.A O no hydrogen 2.981 N/A CYS 213.A N ILE 209.A O no hydrogen 2.918 N/A CYS 213.A SG ILE 209.A O no hydrogen 3.424 N/A LYS 214.A N VAL 211.A O no hydrogen 3.377 N/A TYR 216.A N CYS 213.A O no hydrogen 3.053 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.845 N/A PHE 220.A N PRO 217.A O no hydrogen 3.261 N/A THR 222.A N SER 218.A O no hydrogen 2.925 N/A THR 222.A OG1 SER 218.A O no hydrogen 3.121 N/A TYR 223.A N GLU 219.A O no hydrogen 2.867 N/A TYR 223.A OH LEU 176.A O no hydrogen 2.708 N/A LEU 224.A N PHE 220.A O no hydrogen 3.207 N/A ASN 225.A N ALA 221.A O no hydrogen 2.849 N/A PHE 226.A N THR 222.A O no hydrogen 2.971 N/A CYS 227.A N TYR 223.A O no hydrogen 3.107 N/A CYS 227.A SG TYR 223.A O no hydrogen 3.414 N/A ARG 228.A N LEU 224.A O no hydrogen 3.016 N/A ARG 228.A NE GLU 177.A OE1 no hydrogen 3.389 N/A ARG 228.A NH2 ASN 163.A OD1 no hydrogen 3.125 N/A SER 229.A N PHE 226.A O no hydrogen 3.189 N/A LEU 230.A N CYS 227.A O no hydrogen 3.342 N/A ARG 231.A N ASP 234.A OD2 no hydrogen 2.823 N/A ARG 231.A NE ASP 234.A OD1 no hydrogen 2.896 N/A ARG 231.A NE ASP 234.A OD2 no hydrogen 3.291 N/A ARG 231.A NH2 ASP 234.A OD1 no hydrogen 3.003 N/A ASP 234.A N ARG 231.A O no hydrogen 3.150 N/A TYR 238.A OH HIS 118.A ND1 no hydrogen 2.595 N/A TYR 240.A N ASP 237.A OD1 no hydrogen 3.198 N/A LEU 241.A N ASP 237.A O no hydrogen 3.282 N/A ARG 242.A N TYR 238.A O no hydrogen 2.970 N/A ARG 242.A NH1 GLU 115.A OE1 no hydrogen 2.707 N/A ARG 242.A NH2 GLU 115.A OE1 no hydrogen 2.852 N/A GLN 243.A N SER 239.A O no hydrogen 2.911 N/A LEU 244.A N TYR 240.A O no hydrogen 2.940 N/A PHE 245.A N LEU 241.A O no hydrogen 3.491 N/A ARG 246.A N ARG 242.A O no hydrogen 2.865 N/A ASN 247.A N GLN 243.A O no hydrogen 2.856 N/A ASN 247.A ND2 GLN 243.A OE1 no hydrogen 2.747 N/A LEU 248.A N LEU 244.A O no hydrogen 3.365 N/A PHE 249.A N PHE 245.A O no hydrogen 2.872 N/A HIS 250.A N ARG 246.A O no hydrogen 3.027 N/A ARG 251.A N ASN 247.A O no hydrogen 2.958 N/A ARG 251.A NH1 GLU 219.A OE2 no hydrogen 3.015 N/A ARG 251.A NH2 GLU 219.A OE2 no hydrogen 3.318 N/A GLN 252.A N LEU 248.A O no hydrogen 2.961 N/A GLY 253.A N HIS 250.A O no hydrogen 3.005 N/A PHE 254.A N PHE 249.A O no hydrogen 3.207 N/A TYR 256.A OH ASP 108.A OD2 no hydrogen 2.780 N/A ASP 257.A N SER 255.A O no hydrogen 2.956 N/A VAL 259.A N ASP 257.A OD1 no hydrogen 3.108 N/A ASP 261.A N THR 102.A OG1 no hydrogen 2.849 N/A ASN 263.A N PHE 260.A O no hydrogen 3.061 N/A MET 264.A N ASP 261.A O no hydrogen 3.174 N/A LEU 265.A N TRP 262.A O no hydrogen 3.376 N/A