Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k4k_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 45.A N ASP 48.A OD2 no hydrogen 2.754 N/A ASP 48.A N ARG 45.A O no hydrogen 2.941 N/A VAL 50.A N THR 62.A O no hydrogen 2.981 N/A ARG 52.A N GLN 60.A O no hydrogen 3.016 N/A GLN 53.A NE2 ALA 55.A O no hydrogen 3.288 N/A GLN 53.A NE2 PRO 56.A O no hydrogen 3.018 N/A LEU 54.A N VAL 58.A O no hydrogen 2.903 N/A ALA 55.A N VAL 58.A O no hydrogen 3.236 N/A VAL 58.A N ALA 55.A O no hydrogen 3.098 N/A TRP 59.A N ILE 79.A O no hydrogen 2.782 N/A GLN 60.A N ARG 52.A O no hydrogen 2.814 N/A HIS 61.A N GLY 77.A O no hydrogen 2.916 N/A THR 62.A N VAL 50.A O no hydrogen 2.942 N/A THR 62.A OG1 ASN 76.A OD1 no hydrogen 2.539 N/A SER 63.A N SER 75.A O no hydrogen 2.913 N/A LEU 65.A N VAL 73.A O no hydrogen 2.977 N/A PHE 70.A N MET 67.A O no hydrogen 3.161 N/A VAL 73.A N LEU 65.A O no hydrogen 2.810 N/A SER 75.A N SER 63.A O no hydrogen 2.724 N/A ASN 76.A N SER 249.A O no hydrogen 2.840 N/A ASN 76.A ND2 MET 248.A O no hydrogen 2.864 N/A GLY 77.A N HIS 61.A O no hydrogen 2.917 N/A LEU 78.A N VAL 89.A O no hydrogen 2.972 N/A ILE 79.A N TRP 59.A O no hydrogen 2.799 N/A VAL 80.A N LEU 87.A O no hydrogen 2.922 N/A ARG 81.A N ASN 57.A O no hydrogen 2.965 N/A ARG 81.A NE ASN 57.A OD1 no hydrogen 2.711 N/A ARG 81.A NH2 PRO 56.A O no hydrogen 2.986 N/A ARG 81.A NH2 ASN 57.A OD1 no hydrogen 3.157 N/A ASP 82.A N ARG 85.A O no hydrogen 2.871 N/A ARG 85.A N ASP 82.A O no hydrogen 3.238 N/A ARG 85.A NE ASP 82.A OD2 no hydrogen 3.219 N/A ARG 85.A NH1 ASN 176.A O no hydrogen 2.924 N/A ARG 85.A NH2 ASP 82.A OD2 no hydrogen 2.768 N/A ARG 85.A NH2 ASN 176.A O no hydrogen 2.837 N/A VAL 86.A N PRO 112.A O no hydrogen 2.809 N/A LEU 87.A N VAL 80.A O no hydrogen 2.732 N/A MET 88.A N LEU 115.A O no hydrogen 2.923 N/A VAL 89.A N LEU 78.A O no hydrogen 2.916 N/A ASP 90.A N VAL 117.A O.A no hydrogen 2.843 N/A ASP 90.A N VAL 117.A O.B no hydrogen 2.754 N/A THR 91.A N LYS 125.A O no hydrogen 3.168 N/A THR 91.A OG1 ALA 92.A O no hydrogen 2.664 N/A THR 91.A OG1 LYS 125.A O no hydrogen 3.125 N/A ALA 92.A N THR 98.A OG1 no hydrogen 3.053 N/A THR 94.A OG1 GLN 97.A OE1 no hydrogen 2.949 N/A GLN 97.A N THR 94.A OG1 no hydrogen 3.005 N/A GLN 97.A NE2 GLY 47.A O no hydrogen 2.972 N/A GLN 97.A NE2 TYR 64.A O no hydrogen 2.762 N/A THR 98.A N THR 94.A O no hydrogen 3.062 N/A THR 98.A OG1 THR 94.A O no hydrogen 2.869 N/A ALA 99.A N ASP 95.A O no hydrogen 2.895 N/A GLN 100.A N ALA 96.A O no hydrogen 3.113 N/A GLN 100.A NE2 ASP 48.A OD1 no hydrogen 2.938 N/A ILE 101.A N GLN 97.A O no hydrogen 2.978 N/A LEU 102.A N THR 98.A O no hydrogen 2.919 N/A LYS 103.A N ALA 99.A O no hydrogen 2.936 N/A TRP 104.A N GLN 100.A O no hydrogen 2.978 N/A ILE 105.A N ILE 101.A O no hydrogen 2.956 N/A LYS 106.A N LEU 102.A O no hydrogen 2.962 N/A LYS 106.A NZ ASN 110.A OD1 no hydrogen 3.138 N/A GLN 107.A N LYS 103.A O no hydrogen 2.829 N/A GLU 108.A N TRP 104.A O no hydrogen 2.735 N/A ILE 109.A N ILE 105.A O no hydrogen 2.806 N/A ASN 110.A N ILE 105.A O no hydrogen 2.898 N/A ALA 114.A N VAL 86.A O no hydrogen 2.762 N/A ALA 116.A N ALA 138.A O no hydrogen 2.970 N/A VAL 117.A N.A MET 88.A O no hydrogen 2.886 N/A VAL 117.A N.B MET 88.A O no hydrogen 2.866 N/A VAL 118.A N TYR 140.A O no hydrogen 3.023 N/A THR 119.A N ASP 90.A OD1 no hydrogen 2.754 N/A THR 119.A OG1 ASP 90.A OD1 no hydrogen 3.065 N/A THR 119.A OG1 ASP 90.A OD2 no hydrogen 2.894 N/A HIS 120.A NE2 HIS 122.A ND1 no hydrogen 3.125 N/A ALA 121.A N ASP 192.A OD2 no hydrogen 2.886 N/A HIS 122.A N HIS 120.A O no hydrogen 2.998 N/A HIS 122.A NE2 GLU 223.A OE1 no hydrogen 2.705 N/A GLN 123.A NE2.B GLU 152.A O no hydrogen 3.269 N/A GLN 123.A NE2.B GLY 153.A O no hydrogen 3.324 N/A LYS 125.A N HIS 122.A O no hydrogen 3.070 N/A LYS 125.A NZ ASP 90.A OD2 no hydrogen 2.976 N/A LYS 125.A NZ SER 249.A OG no hydrogen 2.840 N/A MET 126.A N HIS 122.A O no hydrogen 2.915 N/A GLY 128.A N THR 91.A OG1 no hydrogen 2.974 N/A ALA 131.A N ASP 95.A OD1 no hydrogen 2.918 N/A LEU 132.A N GLY 128.A O no hydrogen 3.191 N/A HIS 133.A N MET 129.A O no hydrogen 3.007 N/A HIS 133.A NE2 THR 139.A OG1 no hydrogen 2.715 N/A ALA 134.A N ASP 130.A O no hydrogen 2.794 N/A ALA 135.A N ALA 131.A O no hydrogen 3.006 N/A GLY 136.A N HIS 133.A O no hydrogen 3.085 N/A ILE 137.A N LEU 132.A O no hydrogen 2.948 N/A THR 139.A N GLN 158.A OE1 no hydrogen 3.200 N/A THR 139.A OG1 HIS 133.A NE2 no hydrogen 2.715 N/A TYR 140.A N ALA 116.A O no hydrogen 2.853 N/A ALA 141.A N HIS 159.A O no hydrogen 3.003 N/A ASN 142.A ND2 ASP 192.A O no hydrogen 2.977 N/A ALA 143.A N LEU 161.A O no hydrogen 2.933 N/A LEU 144.A N ASN 142.A OD1 no hydrogen 3.114 N/A SER 145.A OG ASP 192.A OD2 no hydrogen 2.622 N/A ASN 146.A N ASN 142.A O no hydrogen 3.141 N/A ASN 146.A ND2 HIS 159.A O no hydrogen 3.252 N/A ASN 146.A ND2 SER 160.A OG no hydrogen 2.802 N/A GLN 147.A N ALA 143.A O no hydrogen 2.973 N/A LEU 148.A N LEU 144.A O no hydrogen 2.794 N/A GLU 152.A N LEU 148.A O no hydrogen 3.064 N/A GLU 152.A N ALA 149.A O no hydrogen 3.008 N/A GLY 153.A N PRO 150.A O no hydrogen 3.444 N/A VAL 154.A N ALA 149.A O no hydrogen 3.093 N/A GLN 158.A N THR 139.A OG1 no hydrogen 2.836 N/A HIS 159.A N THR 139.A O no hydrogen 2.846 N/A LEU 161.A N ALA 141.A O no hydrogen 2.849 N/A THR 162.A N THR 173.A OG1 no hydrogen 3.286 N/A ALA 164.A N TRP 168.A O no hydrogen 2.931 N/A GLY 167.A N ALA 164.A O no hydrogen 3.030 N/A TRP 168.A N THR 166.A OG1 no hydrogen 3.140 N/A VAL 169.A N VAL 182.A O no hydrogen 3.090 N/A GLU 170.A N THR 162.A O no hydrogen 2.842 N/A THR 173.A N GLU 170.A O no hydrogen 2.863 N/A THR 173.A OG1 GLU 170.A O no hydrogen 2.868 N/A ALA 174.A N PRO 171.A O no hydrogen 2.947 N/A LEU 180.A N PHE 177.A O no hydrogen 2.921 N/A LYS 181.A N GLY 197.A O no hydrogen 2.798 N/A PHE 183.A N THR 195.A O no hydrogen 2.934 N/A TYR 184.A N GLY 167.A O no hydrogen 2.776 N/A TYR 184.A OH SER 191.A O.A no hydrogen 2.642 N/A TYR 184.A OH SER 191.A O.B no hydrogen 2.616 N/A GLY 188.A N THR 190.A O no hydrogen 2.998 N/A THR 190.A N ASN 193.A OD1 no hydrogen 3.067 N/A THR 190.A OG1 ASP 192.A OD1 no hydrogen 2.652 N/A ASN 193.A ND2 GLY 186.A O no hydrogen 2.944 N/A ASN 193.A ND2 ASN 193.A O no hydrogen 2.708 N/A ILE 194.A N THR 119.A O no hydrogen 2.966 N/A THR 195.A N PHE 183.A O no hydrogen 2.879 N/A THR 195.A OG1 PHE 183.A O no hydrogen 2.772 N/A VAL 196.A N PHE 205.A O no hydrogen 2.986 N/A GLY 197.A N LYS 181.A O no hydrogen 2.814 N/A ILE 198.A N ILE 203.A O no hydrogen 3.128 N/A ASP 199.A N PRO 179.A O no hydrogen 2.891 N/A THR 201.A OG1 ILE 198.A O no hydrogen 2.742 N/A ILE 203.A N THR 201.A OG1 no hydrogen 2.998 N/A ALA 204.A N MET 245.A O no hydrogen 3.032 N/A PHE 205.A N VAL 196.A O no hydrogen 2.643 N/A GLY 206.A N VAL 247.A O no hydrogen 2.852 N/A CYS 208.A SG ASP 124.A OD2 no hydrogen 3.420 N/A CYS 208.A SG SER 249.A OG no hydrogen 3.132 N/A CYS 208.A SG HIS 250.A NE2 no hydrogen 3.690 N/A LEU 209.A N GLY 206.A O no hydrogen 3.227 N/A ARG 211.A N THR 262.A OG1 no hydrogen 2.933 N/A ARG 211.A NE SER 217.A O no hydrogen 2.831 N/A ARG 211.A NH2 SER 217.A O no hydrogen 3.377 N/A SER 213.A N ASP 254.A OD2 no hydrogen 2.720 N/A SER 213.A OG ASP 254.A OD1 no hydrogen 3.497 N/A SER 213.A OG ASP 254.A OD2 no hydrogen 2.767 N/A LYS 214.A N ASP 212.A OD1 no hydrogen 3.123 N/A ALA 215.A N ASP 212.A O no hydrogen 3.031 N/A GLY 219.A N SER 217.A OG no hydrogen 2.768 N/A ASP 222.A N ASN 220.A OD1 no hydrogen 2.801 N/A ALA 224.A N LEU 221.A O no hydrogen 3.110 N/A ASP 225.A N GLY 188.A O no hydrogen 2.871 N/A HIS 228.A N ASP 225.A OD1 no hydrogen 3.036 N/A TYR 229.A OH LEU 209.A O no hydrogen 2.768 N/A SER 232.A N HIS 228.A O no hydrogen 2.938 N/A SER 232.A OG PRO 185.A O no hydrogen 3.268 N/A SER 232.A OG PRO 187.A O no hydrogen 2.713 N/A SER 232.A OG HIS 228.A O no hydrogen 3.106 N/A VAL 233.A N TYR 229.A O no hydrogen 2.894 N/A ARG 234.A N ALA 230.A O no hydrogen 3.043 N/A ARG 234.A NH1 ASP 267.A OD2 no hydrogen 3.104 N/A ARG 234.A NH2 ASP 267.A OD1 no hydrogen 2.389 N/A ARG 234.A NH2 ASP 267.A OD2 no hydrogen 3.351 N/A ALA 235.A N ALA 231.A O no hydrogen 2.906 N/A PHE 236.A N SER 232.A O no hydrogen 3.100 N/A GLY 237.A N VAL 233.A O no hydrogen 2.998 N/A ALA 238.A N ARG 234.A O no hydrogen 3.009 N/A ALA 239.A N ALA 235.A O no hydrogen 2.881 N/A ALA 239.A N PHE 236.A O no hydrogen 3.224 N/A PHE 240.A N PHE 236.A O no hydrogen 3.388 N/A ALA 243.A N PHE 240.A O no hydrogen 3.137 N/A SER 244.A N ASP 202.A O.A no hydrogen 2.864 N/A MET 245.A N ASP 202.A O.A no hydrogen 2.833 N/A MET 245.A N ASP 202.A O.B no hydrogen 2.829 N/A ILE 246.A N ASP 254.A O no hydrogen 2.906 N/A VAL 247.A N ALA 204.A O no hydrogen 2.942 N/A SER 249.A N GLY 207.A O no hydrogen 3.004 N/A HIS 250.A ND1 ALA 74.A O no hydrogen 2.871 N/A ASP 254.A N ILE 246.A O no hydrogen 2.938 N/A ARG 256.A NH1 PHE 240.A O no hydrogen 2.845 N/A ARG 256.A NH1 ALA 243.A O no hydrogen 2.835 N/A ARG 256.A NH2 GLY 237.A O no hydrogen 2.859 N/A ALA 257.A N SER 255.A OG no hydrogen 3.192 N/A ALA 258.A N SER 255.A O no hydrogen 3.014 N/A ILE 259.A N ARG 256.A O no hydrogen 2.924 N/A THR 260.A N ARG 256.A O no hydrogen 3.320 N/A HIS 261.A N ALA 257.A O no hydrogen 2.803 N/A HIS 261.A NE2 ALA 215.A O no hydrogen 2.613 N/A THR 262.A N ALA 258.A O no hydrogen 2.915 N/A THR 262.A OG1 ALA 258.A O no hydrogen 2.698 N/A ALA 263.A N ILE 259.A O no hydrogen 2.997 N/A ARG 264.A N THR 260.A O no hydrogen 2.967 N/A MET 265.A N HIS 261.A O no hydrogen 3.036 N/A ALA 266.A N THR 262.A O no hydrogen 2.869 N/A ASP 267.A N ALA 263.A O no hydrogen 2.820 N/A LYS 268.A N MET 265.A O no hydrogen 3.161 N/A LEU 269.A N ALA 266.A O no hydrogen 2.986 N/A ARG 270.A N ASP 267.A O no hydrogen 3.477 N/A ARG 270.A NE GLU 227.A O no hydrogen 2.960 N/A ARG 270.A NE GLU 227.A OE1 no hydrogen 3.228 N/A ARG 270.A NH2 GLU 227.A OE2 no hydrogen 2.927 N/A