Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nek_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 2.A OE1 no hydrogen 2.957 N/A GLU 2.A N GLU 2.A OE1 no hydrogen 2.580 N/A LEU 5.A N ARG 16.A O no hydrogen 2.924 N/A SER 6.A OG VAL 14.A O no hydrogen 3.360 N/A HIS 7.A N VAL 14.A O no hydrogen 3.077 N/A HIS 7.A NE2 GLU 9.A OE1 no hydrogen 2.889 N/A GLU 9.A N VAL 12.A O no hydrogen 2.937 N/A VAL 12.A N GLU 9.A O no hydrogen 2.961 N/A GLN 13.A N VAL 47.A O no hydrogen 2.777 N/A GLN 13.A NE2 ALA 35.A O no hydrogen 2.935 N/A VAL 14.A N HIS 7.A O no hydrogen 2.846 N/A VAL 15.A N LEU 49.A O no hydrogen 2.900 N/A ARG 16.A N LEU 5.A O no hydrogen 2.767 N/A ARG 16.A NH1 GLY 52.A O no hydrogen 2.788 N/A ARG 16.A NH1 GLU 176.A OE2 no hydrogen 2.855 N/A ARG 16.A NH2 GLU 176.A OE1 no hydrogen 2.905 N/A ASN 17.A ND2 GLU 2.A O no hydrogen 2.897 N/A ARG 18.A N ASN 23.A OD1 no hydrogen 2.728 N/A ARG 18.A NH1 ALA 24.A O no hydrogen 2.689 N/A ARG 18.A NH1 ASP 62.A OD2 no hydrogen 3.286 N/A ARG 18.A NH2 ASP 62.A OD2 no hydrogen 3.506 N/A LYS 21.A N ARG 18.A O no hydrogen 3.028 N/A LYS 22.A N PRO 19.A O no hydrogen 3.115 N/A ASN 23.A N ARG 18.A O no hydrogen 3.043 N/A ASN 23.A ND2 ASP 56.A O no hydrogen 3.513 N/A ASN 23.A ND2 PHE 57.A O no hydrogen 3.124 N/A ALA 24.A N LYS 21.A O no hydrogen 2.952 N/A LEU 25.A N GLY 60.A O no hydrogen 2.852 N/A TYR 29.A OH ASN 61.A OD1 no hydrogen 2.566 N/A ALA 30.A N GLY 27.A O no hydrogen 2.994 N/A ALA 31.A N GLU 28.A O no hydrogen 3.002 N/A ALA 33.A N TYR 29.A O no hydrogen 2.889 N/A GLU 34.A N ALA 30.A O no hydrogen 2.917 N/A ALA 35.A N ALA 31.A O no hydrogen 2.961 N/A PHE 36.A N LEU 32.A O no hydrogen 3.077 N/A ALA 37.A N ALA 33.A O no hydrogen 2.996 N/A LYS 38.A N GLU 34.A O no hydrogen 2.890 N/A GLY 39.A N ALA 35.A O no hydrogen 2.997 N/A GLU 40.A N PHE 36.A O no hydrogen 2.823 N/A ALA 41.A N ALA 37.A O no hydrogen 3.212 N/A ALA 41.A N LYS 38.A O no hydrogen 3.086 N/A ASP 42.A N LYS 38.A O no hydrogen 2.878 N/A ASP 42.A N GLY 39.A O no hydrogen 3.224 N/A ASP 44.A N ASP 42.A OD1 no hydrogen 2.701 N/A VAL 45.A N ASP 42.A O no hydrogen 3.036 N/A ASN 46.A N GLY 11.A O no hydrogen 2.704 N/A ASN 46.A ND2 ALA 186.A O no hydrogen 2.992 N/A VAL 47.A N GLY 11.A O no hydrogen 3.148 N/A PHE 48.A N PRO 90.A O no hydrogen 2.871 N/A LEU 49.A N GLN 13.A O no hydrogen 2.909 N/A ILE 50.A N VAL 92.A O no hydrogen 2.837 N/A LEU 51.A N VAL 15.A O no hydrogen 2.945 N/A SER 53.A N ASP 56.A O no hydrogen 2.851 N/A SER 53.A OG THR 55.A OG1 no hydrogen 3.308 N/A SER 53.A OG ASP 56.A O no hydrogen 3.306 N/A GLN 54.A NE2 GLU 176.A OE2 no hydrogen 2.986 N/A THR 55.A N SER 53.A OG no hydrogen 2.923 N/A THR 55.A OG1 SER 53.A OG no hydrogen 3.308 N/A THR 55.A OG1 ASP 56.A OD2 no hydrogen 2.757 N/A ASP 56.A N SER 53.A OG no hydrogen 2.875 N/A PHE 57.A N ARG 96.A O no hydrogen 2.951 N/A PHE 57.A N ALA 98.A O no hydrogen 3.157 N/A SER 58.A N ALA 98.A O no hydrogen 2.972 N/A SER 58.A OG ASN 23.A O no hydrogen 2.934 N/A ALA 59.A N LYS 22.A O no hydrogen 2.955 N/A GLY 60.A N SER 58.A OG no hydrogen 2.994 N/A ASN 61.A ND2 ASP 62.A O no hydrogen 3.319 N/A ASN 61.A ND2 ASP 65.A OD2 no hydrogen 3.286 N/A ASP 62.A N LEU 25.A O no hydrogen 2.815 N/A ASP 65.A N ASP 62.A OD1 no hydrogen 3.081 N/A PHE 66.A N ASP 62.A O no hydrogen 2.950 N/A LEU 67.A N LEU 63.A O no hydrogen 3.051 N/A THR 68.A N ASP 65.A O no hydrogen 3.042 N/A TRP 69.A N PHE 66.A O no hydrogen 3.090 N/A TRP 69.A NE1 ASP 65.A OD2 no hydrogen 3.164 N/A GLY 74.A N ASP 78.A OD2 no hydrogen 3.049 N/A SER 75.A N LEU 72.A O no hydrogen 3.004 N/A SER 75.A OG LEU 72.A O no hydrogen 2.696 N/A ASP 78.A N SER 75.A OG no hydrogen 3.146 N/A ARG 79.A N SER 75.A O no hydrogen 2.970 N/A PHE 80.A N VAL 76.A O no hydrogen 3.018 N/A ILE 81.A N ALA 77.A O no hydrogen 3.069 N/A ARG 82.A N ASP 78.A O no hydrogen 2.930 N/A ARG 82.A NE ASP 78.A OD1 no hydrogen 2.937 N/A ARG 82.A NE ASP 78.A OD2 no hydrogen 3.499 N/A ALA 83.A N ARG 79.A O no hydrogen 2.919 N/A VAL 84.A N PHE 80.A O no hydrogen 3.072 N/A ALA 85.A N ILE 81.A O no hydrogen 2.875 N/A GLY 86.A N ARG 82.A O no hydrogen 2.816 N/A ALA 87.A N VAL 84.A O no hydrogen 3.103 N/A ARG 88.A N GLU 40.A OE1 no hydrogen 2.860 N/A LYS 89.A N GLU 40.A OE2 no hydrogen 2.976 N/A LYS 89.A NZ GLY 39.A O no hydrogen 2.856 N/A LYS 89.A NZ GLU 40.A O no hydrogen 3.417 N/A LYS 89.A NZ VAL 45.A O no hydrogen 2.763 N/A VAL 91.A N ASP 111.A OD2 no hydrogen 2.757 N/A VAL 92.A N PHE 48.A O no hydrogen 2.897 N/A ALA 93.A N LEU 112.A O no hydrogen 2.918 N/A ALA 94.A N ILE 50.A O no hydrogen 3.174 N/A VAL 95.A N TYR 114.A O no hydrogen 2.813 N/A ALA 98.A N ASP 56.A OD1 no hydrogen 2.965 N/A ALA 99.A N ARG 120.A O no hydrogen 2.939 N/A ILE 100.A N SER 58.A O no hydrogen 2.857 N/A GLY 101.A N HIS 122.A O no hydrogen 2.837 N/A GLY 103.A N ILE 100.A O no hydrogen 2.786 N/A SER 104.A N GLY 101.A O no hydrogen 2.895 N/A SER 104.A OG ALA 99.A O no hydrogen 2.688 N/A THR 105.A N GLY 101.A O no hydrogen 2.903 N/A THR 105.A OG1 GLY 101.A O no hydrogen 3.332 N/A THR 105.A OG1 GLU 132.A OE2 no hydrogen 3.511 N/A LEU 106.A N ILE 102.A O no hydrogen 3.153 N/A LEU 107.A N SER 104.A O no hydrogen 3.035 N/A HIS 109.A N LEU 106.A O no hydrogen 3.006 N/A HIS 109.A NE2 ALA 133.A O no hydrogen 2.745 N/A CYS 110.A N LEU 107.A O no hydrogen 2.926 N/A CYS 110.A SG LEU 106.A O no hydrogen 3.867 N/A ASP 111.A N VAL 91.A O no hydrogen 2.843 N/A LEU 112.A N VAL 91.A O no hydrogen 3.371 N/A TYR 114.A N ALA 93.A O no hydrogen 3.005 N/A ALA 115.A N GLY 168.A O no hydrogen 3.094 N/A ALA 116.A N VAL 95.A O no hydrogen 2.934 N/A THR 119.A N ALA 116.A O no hydrogen 3.094 N/A THR 119.A OG1 GLY 97.A O no hydrogen 3.331 N/A ARG 120.A N GLY 97.A O no hydrogen 2.835 N/A PHE 121.A N PHE 155.A O no hydrogen 2.852 N/A HIS 122.A N ALA 99.A O no hydrogen 3.180 N/A HIS 122.A NE2 GLY 152.A O no hydrogen 2.855 N/A ASN 126.A N PRO 123.A O no hydrogen 2.897 N/A LEU 127.A N PHE 124.A O no hydrogen 2.868 N/A GLY 128.A N ILE 125.A O no hydrogen 3.150 N/A ILE 129.A N PHE 124.A O no hydrogen 3.061 N/A SER 135.A N GLU 132.A O no hydrogen 3.062 N/A SER 135.A OG GLU 132.A O no hydrogen 2.691 N/A GLN 137.A N GLY 134.A O no hydrogen 2.891 N/A THR 138.A N GLY 134.A O no hydrogen 2.895 N/A THR 138.A OG1 GLY 134.A O no hydrogen 3.367 N/A ALA 140.A N GLN 137.A O no hydrogen 3.174 N/A LEU 141.A N THR 138.A O no hydrogen 2.943 N/A GLY 143.A N PRO 139.A O no hydrogen 2.818 N/A ARG 146.A NH1 GLU 149.A OE2 no hydrogen 2.546 N/A ALA 147.A N GLY 143.A O no hydrogen 3.041 N/A ALA 148.A N HIS 144.A O no hydrogen 2.839 N/A GLU 149.A N ARG 145.A O no hydrogen 3.358 N/A GLU 153.A N GLU 149.A O no hydrogen 2.985 N/A PHE 155.A N PHE 121.A O no hydrogen 2.868 N/A THR 159.A OG1 ASP 158.A OD1 no hydrogen 3.507 N/A ALA 160.A N GLY 156.A O no hydrogen 3.010 N/A GLU 161.A N VAL 157.A O no hydrogen 2.926 N/A ALA 162.A N ASP 158.A O no hydrogen 2.988 N/A VAL 163.A N THR 159.A O no hydrogen 2.889 N/A GLY 164.A N GLU 161.A O no hydrogen 3.060 N/A LEU 165.A N ALA 160.A O no hydrogen 2.892 N/A ILE 166.A N ALA 160.A O no hydrogen 3.383 N/A ASN 167.A N VAL 113.A O no hydrogen 2.827 N/A ASN 167.A ND2 VAL 113.A O no hydrogen 3.418 N/A VAL 170.A N ALA 115.A O no hydrogen 2.864 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 3.155 N/A ASP 174.A N PRO 171.A O no hydrogen 2.843 N/A LEU 175.A N GLY 172.A O no hydrogen 3.223 N/A THR 178.A N ASP 174.A O no hydrogen 2.959 N/A THR 178.A OG1 ASP 174.A O no hydrogen 2.630 N/A ALA 179.A N LEU 175.A O no hydrogen 2.874 N/A ALA 181.A N THR 178.A O no hydrogen 3.032 N/A ALA 182.A N ALA 179.A O no hydrogen 2.922 N/A LYS 184.A N ALA 180.A O no hydrogen 2.988 N/A LEU 185.A N ALA 181.A O no hydrogen 3.041 N/A ALA 186.A N ALA 182.A O no hydrogen 2.795 N/A ALA 187.A N ARG 183.A O no hydrogen 2.912 N/A LYS 188.A N LEU 185.A O no hydrogen 3.047 N/A ARG 190.A NH1 ASP 43.A O no hydrogen 2.939 N/A ARG 190.A NH1 VAL 45.A O no hydrogen 2.931 N/A ARG 190.A NH2 ASP 43.A OD1 no hydrogen 2.912 N/A LEU 193.A N PRO 189.A O no hydrogen 2.922 N/A VAL 194.A N ARG 190.A O no hydrogen 2.949 N/A ILE 196.A N ILE 192.A O no hydrogen 2.924 N/A LYS 197.A N LEU 193.A O no hydrogen 2.972 N/A LYS 197.A NZ ALA 87.A O no hydrogen 3.174 N/A LYS 197.A NZ LYS 89.A O no hydrogen 2.831 N/A LYS 197.A NZ ASP 111.A OD2 no hydrogen 2.805 N/A ALA 198.A N VAL 194.A O no hydrogen 2.966 N/A LEU 199.A N GLN 195.A O no hydrogen 2.883 N/A LYS 200.A NZ ALA 85.A O no hydrogen 3.289 N/A THR 201.A N LEU 199.A O no hydrogen 3.032 N/A THR 201.A OG1 ALA 198.A O no hydrogen 2.595 N/A THR 201.A OG1 LEU 199.A O no hydrogen 3.472 N/A ARG 208.A N PRO 205.A O no hydrogen 3.162 N/A ARG 208.A NE GLU 204.A OE2 no hydrogen 2.707 N/A ARG 208.A NH2 THR 201.A O no hydrogen 2.943 N/A ARG 208.A NH2 PRO 202.A O no hydrogen 3.099 N/A ARG 208.A NH2 GLU 204.A OE2 no hydrogen 3.559 N/A LEU 209.A N ILE 206.A O no hydrogen 2.948 N/A ARG 211.A N ASP 207.A O no hydrogen 2.876 N/A ARG 211.A NE GLU 204.A OE2 no hydrogen 2.809 N/A ARG 211.A NH2 GLU 204.A OE1 no hydrogen 2.756 N/A GLU 212.A N ARG 208.A O no hydrogen 2.861 N/A ALA 213.A N LEU 209.A O no hydrogen 2.975 N/A ALA 214.A N THR 210.A O no hydrogen 3.010 N/A VAL 215.A N ARG 211.A O no hydrogen 3.297 N/A PHE 216.A N GLU 212.A O no hydrogen 2.778 N/A ASP 217.A N ALA 213.A O no hydrogen 2.821 N/A CYS 219.A N VAL 215.A O no hydrogen 3.248 N/A CYS 219.A SG VAL 215.A O no hydrogen 3.565 N/A LEU 220.A N PHE 216.A O no hydrogen 3.258 N/A LEU 220.A N ASP 217.A O no hydrogen 3.287 N/A LYS 221.A N THR 218.A O no hydrogen 3.314 N/A GLY 222.A N CYS 219.A O no hydrogen 3.024 N/A ASN 226.A N GLY 222.A O no hydrogen 3.379 N/A GLU 227.A N GLU 223.A O no hydrogen 2.788 N/A ALA 228.A N ALA 224.A O no hydrogen 2.938 N/A VAL 229.A N LEU 225.A O no hydrogen 3.020 N/A SER 230.A N ASN 226.A O no hydrogen 2.912 N/A SER 230.A OG GLU 234.A OE2 no hydrogen 3.261 N/A ALA 231.A N GLU 227.A O no hydrogen 2.919 N/A PHE 232.A N ALA 228.A O no hydrogen 3.034 N/A LYS 233.A N VAL 229.A O no hydrogen 2.911 N/A GLU 234.A N SER 230.A O no hydrogen 2.957 N/A LYS 235.A N PHE 232.A O no hydrogen 3.143 N/A ARG 236.A N ALA 231.A O no hydrogen 2.979 N/A ARG 236.A NE GLU 234.A OE1 no hydrogen 2.883 N/A ARG 236.A NH1 GLU 227.A OE2 no hydrogen 2.953 N/A ARG 236.A NH1 ALA 237.A O no hydrogen 3.232 N/A ARG 236.A NH2 GLU 227.A OE1 no hydrogen 3.298 N/A ARG 236.A NH2 GLU 227.A OE2 no hydrogen 3.404 N/A ARG 236.A NH2 GLU 234.A OE1 no hydrogen 3.523 N/A ASP 239.A N GLU 227.A OE2 no hydrogen 2.927 N/A SER 241.A N ASP 239.A OD1 no hydrogen 3.257 N/A SER 241.A OG ASP 239.A OD1 no hydrogen 2.661 N/A LYS 242.A NZ GLU 227.A OE1 no hydrogen 3.382 N/A