Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N SER 1.A O no hydrogen 2.796 N/A ARG 5.A NH1 GLN 200.A OE1 no hydrogen 3.054 N/A ARG 5.A NH2 GLN 200.A OE1 no hydrogen 3.103 N/A ALA 6.A N ALA 2.A O no hydrogen 2.918 N/A LEU 7.A N ASP 3.A O no hydrogen 2.955 N/A ALA 8.A N LEU 4.A O no hydrogen 3.129 N/A LYS 9.A N ARG 5.A O no hydrogen 3.050 N/A HIS 10.A N ALA 6.A O no hydrogen 3.018 N/A HIS 10.A NE2 SER 82.A O no hydrogen 2.885 N/A LEU 11.A N LEU 7.A O no hydrogen 2.933 N/A TYR 12.A N ALA 8.A O no hydrogen 2.831 N/A ASP 13.A N LYS 9.A O no hydrogen 2.795 N/A SER 14.A N HIS 10.A O no hydrogen 3.015 N/A SER 14.A OG HIS 10.A O no hydrogen 3.156 N/A SER 14.A OG LEU 11.A O no hydrogen 3.391 N/A SER 14.A OG SER 82.A OG no hydrogen 2.997 N/A TYR 15.A N LEU 11.A O no hydrogen 2.907 N/A TYR 15.A OH ASP 161.A OD1 no hydrogen 2.642 N/A ILE 16.A N TYR 12.A O no hydrogen 2.931 N/A LYS 17.A N ASP 13.A O no hydrogen 3.272 N/A SER 18.A N SER 14.A O no hydrogen 2.805 N/A SER 18.A OG SER 14.A O no hydrogen 3.239 N/A SER 18.A OG GLU 78.A OE2 no hydrogen 3.454 N/A PHE 19.A N TYR 15.A O no hydrogen 3.020 N/A LYS 23.A N ASP 161.A OD1 no hydrogen 3.003 N/A LYS 23.A NZ LEU 159.A O no hydrogen 2.772 N/A ALA 24.A N ASP 161.A OD2 no hydrogen 3.381 N/A LYS 25.A N THR 22.A OG1 no hydrogen 3.333 N/A ALA 26.A N THR 22.A O no hydrogen 2.878 N/A ARG 27.A N LYS 23.A O no hydrogen 2.709 N/A ARG 27.A NH1 SER 112.A O no hydrogen 2.946 N/A ARG 27.A NH1 MET 114.A O no hydrogen 3.100 N/A ARG 27.A NH2 MET 114.A O no hydrogen 3.318 N/A ALA 28.A N ALA 24.A O no hydrogen 3.009 N/A ILE 29.A N LYS 25.A O no hydrogen 3.084 N/A LEU 30.A N ALA 26.A O no hydrogen 2.895 N/A THR 31.A N ARG 27.A O no hydrogen 2.915 N/A THR 31.A OG1 ARG 27.A O no hydrogen 2.892 N/A GLY 32.A N ILE 29.A O no hydrogen 3.195 N/A LYS 33.A N ALA 28.A O no hydrogen 2.930 N/A ASP 36.A N THR 34.A OG1 no hydrogen 2.844 N/A LYS 37.A N THR 35.A O no hydrogen 2.721 N/A PHE 40.A N GLN 125.A O no hydrogen 3.016 N/A ILE 42.A N PHE 127.A O no hydrogen 2.660 N/A TYR 43.A N SER 47.A OG no hydrogen 2.991 N/A ASP 44.A N SER 47.A OG no hydrogen 2.929 N/A SER 47.A N ASP 44.A OD1 no hydrogen 2.942 N/A SER 47.A OG ASP 44.A O no hydrogen 3.034 N/A SER 47.A OG ASP 44.A OD1 no hydrogen 2.410 N/A LEU 48.A N ASP 44.A O no hydrogen 2.768 N/A MET 49.A N MET 45.A O no hydrogen 2.956 N/A MET 50.A N ASN 46.A O no hydrogen 2.960 N/A GLY 51.A N SER 47.A O no hydrogen 2.815 N/A GLU 52.A N MET 50.A O no hydrogen 2.609 N/A ARG 60.A N GLU 56.A O no hydrogen 2.733 N/A ILE 61.A N VAL 57.A O no hydrogen 3.313 N/A PHE 62.A N ALA 58.A O no hydrogen 2.936 N/A GLN 63.A N ILE 59.A O no hydrogen 2.762 N/A GLN 63.A NE2 SER 244.A O no hydrogen 3.105 N/A GLN 63.A NE2 SER 244.A OG no hydrogen 3.220 N/A GLY 64.A N ARG 60.A O no hydrogen 2.884 N/A CYS 65.A N ILE 61.A O no hydrogen 2.981 N/A GLN 66.A N PHE 62.A O no hydrogen 3.232 N/A PHE 67.A N GLN 63.A O no hydrogen 3.249 N/A SER 69.A N CYS 65.A O no hydrogen 2.857 N/A VAL 70.A N GLN 66.A O no hydrogen 3.044 N/A GLU 71.A N PHE 67.A O no hydrogen 3.172 N/A ALA 72.A N ARG 68.A O no hydrogen 2.928 N/A VAL 73.A N SER 69.A O no hydrogen 3.080 N/A GLN 74.A N VAL 70.A O no hydrogen 3.021 N/A GLU 75.A N GLU 71.A O no hydrogen 2.933 N/A ILE 76.A N ALA 72.A O no hydrogen 2.858 N/A THR 77.A N VAL 73.A O no hydrogen 2.944 N/A THR 77.A OG1 VAL 73.A O no hydrogen 2.682 N/A GLU 78.A N GLN 74.A O no hydrogen 3.014 N/A TYR 79.A N GLU 75.A O no hydrogen 2.981 N/A TYR 79.A OH ALA 165.A O no hydrogen 2.637 N/A ALA 80.A N ILE 76.A O no hydrogen 2.815 N/A LYS 81.A N THR 77.A O no hydrogen 3.088 N/A SER 82.A N TYR 79.A O no hydrogen 3.015 N/A SER 82.A OG SER 14.A OG no hydrogen 2.997 N/A SER 82.A OG TYR 79.A O no hydrogen 2.347 N/A ILE 83.A N ALA 80.A O no hydrogen 3.074 N/A PHE 86.A N ILE 83.A O no hydrogen 2.949 N/A ASN 88.A N GLY 85.A O no hydrogen 3.323 N/A LEU 89.A N PHE 86.A O no hydrogen 3.237 N/A ASN 92.A N ASP 90.A OD1 no hydrogen 2.966 N/A ASN 92.A ND2 ASP 90.A OD1 no hydrogen 3.483 N/A ASP 93.A N ASP 90.A O no hydrogen 3.050 N/A GLN 94.A N ASP 90.A O no hydrogen 3.013 N/A GLN 94.A NE2 LEU 89.A O no hydrogen 2.996 N/A VAL 95.A N LEU 91.A O no hydrogen 3.319 N/A THR 96.A N ASN 92.A O no hydrogen 3.043 N/A THR 96.A OG1 ASN 92.A O no hydrogen 2.852 N/A LEU 97.A N ASP 93.A O no hydrogen 2.949 N/A LEU 98.A N GLN 94.A O no hydrogen 3.165 N/A LYS 99.A N VAL 95.A O no hydrogen 2.736 N/A LYS 99.A NZ GLU 251.A O no hydrogen 2.850 N/A LYS 99.A NZ LYS 254.A O no hydrogen 2.742 N/A TYR 100.A N THR 96.A O no hydrogen 2.948 N/A GLY 101.A N LEU 98.A O no hydrogen 3.125 N/A VAL 102.A N LEU 98.A O no hydrogen 3.043 N/A ILE 105.A N GLY 101.A O no hydrogen 3.197 N/A ILE 106.A N VAL 102.A O no hydrogen 2.795 N/A TYR 107.A N HIS 103.A O no hydrogen 2.953 N/A THR 108.A N GLU 104.A O no hydrogen 3.197 N/A THR 108.A OG1 GLU 104.A O no hydrogen 2.955 N/A MET 109.A N ILE 105.A O no hydrogen 3.027 N/A LEU 110.A N ILE 106.A O no hydrogen 2.781 N/A ALA 111.A N TYR 107.A O no hydrogen 3.281 N/A LEU 113.A N LEU 110.A O no hydrogen 3.021 N/A MET 114.A N ALA 111.A O no hydrogen 2.891 N/A ASN 115.A N GLY 118.A O no hydrogen 3.120 N/A ASP 117.A N ASN 115.A OD1 no hydrogen 2.939 N/A VAL 119.A N MET 128.A O no hydrogen 2.799 N/A LEU 120.A N LEU 113.A O no hydrogen 2.924 N/A ILE 121.A N GLY 126.A O no hydrogen 3.164 N/A GLN 125.A N SER 122.A O no hydrogen 3.113 N/A GLN 125.A NE2 SER 122.A O no hydrogen 2.605 N/A GLY 126.A N ILE 121.A O no hydrogen 2.845 N/A PHE 127.A N PHE 40.A O no hydrogen 2.719 N/A MET 128.A N VAL 119.A O no hydrogen 2.900 N/A THR 129.A N ILE 42.A O no hydrogen 3.003 N/A ARG 130.A N ASP 117.A O no hydrogen 3.005 N/A ARG 130.A NE GLU 145.A OE1 no hydrogen 3.075 N/A ARG 130.A NE GLU 145.A OE2 no hydrogen 2.977 N/A ARG 130.A NH1 LYS 116.A O no hydrogen 3.066 N/A ARG 130.A NH2 GLU 145.A OE2 no hydrogen 2.656 N/A PHE 132.A N THR 129.A OG1 no hydrogen 3.062 N/A LEU 133.A N THR 129.A O no hydrogen 3.257 N/A LYS 134.A N ARG 130.A O no hydrogen 2.950 N/A SER 135.A N PHE 132.A O no hydrogen 2.794 N/A SER 135.A OG PHE 132.A O no hydrogen 2.577 N/A ARG 137.A NH1 GLU 56.A OE2 no hydrogen 2.495 N/A ARG 137.A NH1 GLU 240.A OE1.A no hydrogen 2.932 N/A ARG 137.A NH2 GLU 240.A OE1.A no hydrogen 3.000 N/A PHE 140.A N ARG 137.A O no hydrogen 2.983 N/A GLY 141.A N ARG 137.A O no hydrogen 3.358 N/A ASP 142.A N PRO 139.A O no hydrogen 3.426 N/A PHE 143.A N PHE 140.A O no hydrogen 3.431 N/A LYS 147.A N MET 144.A O no hydrogen 2.760 N/A LYS 147.A NZ PHE 143.A O no hydrogen 2.975 N/A LYS 147.A NZ HIS 229.A ND1 no hydrogen 3.446 N/A PHE 148.A N MET 144.A O no hydrogen 3.046 N/A GLU 149.A N GLU 145.A O no hydrogen 2.855 N/A PHE 150.A N PRO 146.A O no hydrogen 3.176 N/A ALA 151.A N LYS 147.A O no hydrogen 2.699 N/A VAL 152.A N PHE 148.A O no hydrogen 2.958 N/A LYS 153.A N GLU 149.A O no hydrogen 3.356 N/A PHE 154.A N PHE 150.A O no hydrogen 2.728 N/A ASN 155.A N ALA 151.A O no hydrogen 2.690 N/A ASN 155.A ND2 ALA 111.A O no hydrogen 3.104 N/A LEU 157.A N PHE 154.A O no hydrogen 3.074 N/A GLU 158.A N ASN 155.A O no hydrogen 3.189 N/A ASP 160.A N ASP 163.A OD2 no hydrogen 2.793 N/A LEU 164.A N ASP 160.A O no hydrogen 2.967 N/A ALA 165.A N ASP 161.A O no hydrogen 2.764 N/A PHE 167.A N ASP 163.A O no hydrogen 3.079 N/A ILE 168.A N LEU 164.A O no hydrogen 3.008 N/A VAL 170.A N ILE 166.A O no hydrogen 3.010 N/A ILE 171.A N PHE 167.A O no hydrogen 3.046 N/A ILE 172.A N ILE 168.A O no hydrogen 3.001 N/A LEU 173.A N ALA 169.A O no hydrogen 3.051 N/A SER 174.A OG ILE 171.A O no hydrogen 2.439 N/A ARG 177.A NH1 GLU 104.A OE2 no hydrogen 2.759 N/A ARG 177.A NH2 GLU 104.A OE1 no hydrogen 3.015 N/A ARG 177.A NH2 GLU 104.A OE2 no hydrogen 3.511 N/A ARG 177.A NH2 ILE 171.A O no hydrogen 3.268 N/A LEU 181.A N ASP 93.A OD1 no hydrogen 2.855 N/A ASN 182.A N ASP 93.A OD2 no hydrogen 2.814 N/A LYS 184.A NZ ASP 188.A OD1 no hydrogen 2.749 N/A LYS 184.A NZ ASP 188.A OD2 no hydrogen 3.565 N/A GLU 187.A N VAL 183.A O no hydrogen 3.043 N/A ASP 188.A N LYS 184.A O no hydrogen 2.976 N/A ILE 189.A N PRO 185.A O no hydrogen 3.306 N/A GLN 190.A N ILE 186.A O no hydrogen 2.964 N/A GLN 190.A NE2 VAL 170.A O no hydrogen 2.918 N/A ASP 191.A N GLU 187.A O no hydrogen 2.999 N/A ASN 192.A N ASP 188.A O no hydrogen 3.463 N/A LEU 193.A N ILE 189.A O no hydrogen 2.925 N/A LEU 194.A N GLN 190.A O no hydrogen 2.733 N/A GLN 195.A N ASP 191.A O no hydrogen 3.157 N/A GLN 195.A NE2 ASP 191.A O no hydrogen 3.462 N/A ALA 196.A N ASN 192.A O no hydrogen 3.195 N/A LEU 197.A N LEU 193.A O no hydrogen 2.890 N/A GLU 198.A N LEU 194.A O no hydrogen 2.823 N/A LEU 199.A N GLN 195.A O no hydrogen 3.153 N/A GLN 200.A N ALA 196.A O no hydrogen 2.770 N/A GLN 200.A NE2 ASP 163.A OD1 no hydrogen 3.294 N/A LEU 201.A N LEU 197.A O no hydrogen 2.852 N/A LYS 202.A N GLU 198.A O no hydrogen 3.141 N/A LEU 203.A N LEU 199.A O no hydrogen 3.177 N/A ASN 204.A N GLN 200.A O no hydrogen 2.897 N/A ASN 204.A ND2 ASP 160.A OD2 no hydrogen 3.010 N/A ASN 204.A ND2 ASP 163.A OD1 no hydrogen 3.169 N/A ASN 204.A ND2 ASP 163.A OD2 no hydrogen 3.435 N/A HIS 205.A N LEU 201.A O no hydrogen 2.889 N/A HIS 205.A NE2 ASP 163.A OD2 no hydrogen 2.534 N/A SER 208.A N HIS 205.A O no hydrogen 3.422 N/A LYS 214.A N GLN 210.A O no hydrogen 3.027 N/A LEU 215.A N LEU 211.A O no hydrogen 2.801 N/A LEU 216.A N PHE 212.A O no hydrogen 3.053 N/A GLN 217.A N ALA 213.A O no hydrogen 2.825 N/A LYS 218.A N LYS 214.A O no hydrogen 3.323 N/A LYS 218.A NZ LYS 214.A O no hydrogen 2.896 N/A MET 219.A N LEU 216.A O no hydrogen 3.122 N/A THR 220.A N GLN 217.A O no hydrogen 3.025 N/A ASP 221.A N LYS 218.A O no hydrogen 3.073 N/A LEU 222.A N LYS 218.A O no hydrogen 2.868 N/A ARG 223.A NH2 ASP 176.A OD2 no hydrogen 3.019 N/A GLN 224.A N THR 220.A O no hydrogen 3.257 N/A ILE 225.A N ASP 221.A O no hydrogen 3.421 N/A VAL 226.A N LEU 222.A O no hydrogen 3.208 N/A THR 227.A N ARG 223.A O no hydrogen 3.101 N/A THR 227.A OG1 ARG 223.A O no hydrogen 2.966 N/A GLU 228.A N GLN 224.A O no hydrogen 2.973 N/A HIS 229.A N ILE 225.A O no hydrogen 2.818 N/A VAL 230.A N VAL 226.A O no hydrogen 3.211 N/A GLN 231.A N THR 227.A O no hydrogen 3.377 N/A LEU 232.A N GLU 228.A O no hydrogen 3.166 N/A LEU 233.A N HIS 229.A O no hydrogen 3.178 N/A GLN 234.A N VAL 230.A O no hydrogen 2.970 N/A VAL 235.A N LEU 232.A O no hydrogen 3.248 N/A ILE 236.A N LEU 232.A O no hydrogen 3.317 N/A LYS 237.A N LEU 233.A O no hydrogen 3.032 N/A THR 239.A N VAL 235.A O no hydrogen 2.973 N/A THR 239.A OG1 VAL 235.A O no hydrogen 2.714 N/A THR 241.A N GLU 240.A OE2.A no hydrogen 3.170 N/A LEU 248.A N HIS 246.A ND1 no hydrogen 2.899 N/A GLN 250.A N HIS 246.A O no hydrogen 2.757 N/A GLU 251.A N PRO 247.A O no hydrogen 2.992 N/A ILE 252.A N LEU 248.A O no hydrogen 3.135 N/A TYR 253.A N LEU 249.A O no hydrogen 2.865 N/A LYS 254.A N GLN 250.A O no hydrogen 2.702 N/A