Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4tkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N PHE 1.A O no hydrogen 3.239 N/A LYS 5.A N SER 2.A O no hydrogen 3.325 N/A GLY 6.A N GLY 30.A O no hydrogen 2.869 N/A LYS 7.A N LEU 4.A O no hydrogen 3.056 N/A ARG 8.A N ASP 86.A OD2 no hydrogen 2.761 N/A ARG 8.A NE ASP 86.A OD2 no hydrogen 2.948 N/A ARG 8.A NH1 PHE 82.A O no hydrogen 3.041 N/A ARG 8.A NH2 ASP 86.A OD1 no hydrogen 2.943 N/A ILE 9.A N VAL 32.A O no hydrogen 2.879 N/A LEU 10.A N VAL 87.A O no hydrogen 2.967 N/A ILE 11.A N GLY 34.A O no hydrogen 2.999 N/A THR 12.A N ILE 89.A O no hydrogen 3.022 N/A THR 12.A OG1 ILE 89.A O no hydrogen 3.384 N/A SER 14.A N ASN 36.A O no hydrogen 2.823 N/A SER 14.A OG ILE 11.A O no hydrogen 2.776 N/A MET 20.A N GLU 16.A O no hydrogen 3.260 N/A ALA 21.A N GLY 17.A O no hydrogen 3.174 N/A THR 22.A N ILE 18.A O no hydrogen 2.863 N/A THR 22.A OG1 ILE 18.A O no hydrogen 2.816 N/A ALA 23.A N GLY 19.A O no hydrogen 2.951 N/A ILE 24.A N MET 20.A O no hydrogen 3.044 N/A GLU 25.A N ALA 21.A O no hydrogen 3.050 N/A LEU 26.A N THR 22.A O no hydrogen 2.910 N/A ALA 27.A N ALA 23.A O no hydrogen 2.987 N/A ARG 28.A N ILE 24.A O no hydrogen 3.099 N/A ARG 28.A NH1 GLU 25.A OE1 no hydrogen 2.640 N/A TYR 29.A N LEU 26.A O no hydrogen 3.025 N/A GLY 30.A N ALA 27.A O no hydrogen 2.945 N/A ALA 31.A N LEU 26.A O no hydrogen 3.245 N/A VAL 32.A N LYS 7.A O no hydrogen 2.832 N/A VAL 33.A N ASP 57.A O no hydrogen 2.886 N/A GLY 34.A N ILE 9.A O no hydrogen 2.797 N/A LEU 35.A N ALA 59.A O no hydrogen 2.799 N/A ASN 36.A N SER 14.A OG no hydrogen 2.924 N/A SER 37.A OG VAL 39.A O no hydrogen 3.096 N/A VAL 39.A N SER 37.A OG no hydrogen 3.289 N/A LEU 48.A N PRO 44.A O no hydrogen 2.988 N/A GLY 49.A N ALA 45.A O no hydrogen 2.873 N/A LYS 50.A N LEU 46.A O no hydrogen 3.070 N/A LEU 51.A N LEU 47.A O no hydrogen 3.228 N/A ARG 52.A N LEU 48.A O no hydrogen 3.083 N/A ARG 52.A NE ASP 57.A OD1 no hydrogen 2.777 N/A ARG 52.A NH2 ASP 57.A OD1 no hydrogen 3.116 N/A GLU 53.A N GLY 49.A O no hydrogen 2.824 N/A ALA 54.A N LYS 50.A O no hydrogen 2.914 N/A GLY 55.A N LEU 51.A O no hydrogen 3.305 N/A GLY 55.A N ARG 52.A O no hydrogen 3.145 N/A GLY 56.A N LEU 51.A O no hydrogen 2.946 N/A ASP 57.A N ALA 31.A O no hydrogen 3.186 N/A ALA 59.A N VAL 33.A O no hydrogen 3.138 N/A PHE 61.A N LEU 35.A O no hydrogen 2.778 N/A ARG 62.A NH1 ASP 40.A OD1 no hydrogen 2.993 N/A ARG 62.A NH1 ASP 40.A OD2 no hydrogen 3.532 N/A ALA 63.A N SER 37.A O no hydrogen 3.006 N/A ASP 64.A N GLU 70.A OE1 no hydrogen 2.930 N/A THR 66.A N ASP 64.A OD1 no hydrogen 3.239 N/A THR 66.A OG1 ASP 64.A OD1 no hydrogen 2.714 N/A THR 66.A OG1 ASP 64.A OD2 no hydrogen 3.357 N/A LYS 67.A N ASP 64.A O no hydrogen 3.085 N/A CYS 71.A N LYS 67.A O no hydrogen 3.093 N/A CYS 71.A SG ILE 65.A O no hydrogen 3.202 N/A CYS 71.A SG LYS 67.A O no hydrogen 3.542 N/A CYS 71.A SG SER 119.A O no hydrogen 3.966 N/A GLN 72.A N THR 68.A O no hydrogen 3.080 N/A ARG 73.A N ALA 69.A O no hydrogen 3.024 N/A ARG 73.A NE GLU 70.A OE2 no hydrogen 2.925 N/A ARG 73.A NH2 ARG 62.A O no hydrogen 2.744 N/A ARG 73.A NH2 GLU 70.A OE1 no hydrogen 3.215 N/A ARG 73.A NH2 GLU 70.A OE2 no hydrogen 3.403 N/A LEU 74.A N GLU 70.A O no hydrogen 2.858 N/A VAL 75.A N CYS 71.A O no hydrogen 3.118 N/A SER 76.A N GLN 72.A O no hydrogen 2.932 N/A SER 76.A OG GLN 72.A O no hydrogen 3.209 N/A ALA 77.A N ARG 73.A O no hydrogen 2.814 N/A PHE 78.A N LEU 74.A O no hydrogen 3.012 N/A VAL 79.A N VAL 75.A O no hydrogen 2.944 N/A GLU 80.A N SER 76.A O no hydrogen 2.737 N/A ARG 81.A N ALA 77.A O no hydrogen 3.121 N/A ARG 81.A NH1 ARG 81.A O no hydrogen 3.461 N/A PHE 82.A N PHE 78.A O no hydrogen 2.902 N/A ASP 83.A N VAL 79.A O no hydrogen 2.629 N/A ASP 86.A N ARG 8.A O no hydrogen 2.868 N/A VAL 87.A N ARG 8.A O no hydrogen 3.120 N/A LEU 88.A N ALA 143.A O no hydrogen 2.970 N/A ILE 89.A N LEU 10.A O no hydrogen 2.771 N/A ASN 90.A N ILE 145.A O no hydrogen 2.767 N/A ASN 91.A N THR 12.A OG1 no hydrogen 2.933 N/A ASN 91.A ND2 THR 12.A O no hydrogen 3.600 N/A ASN 91.A ND2 GLY 13.A O no hydrogen 2.848 N/A ALA 92.A N THR 12.A OG1 no hydrogen 3.013 N/A GLY 94.A N ASN 116.A OD1 no hydrogen 2.952 N/A SER 99.A N GLY 159.A O no hydrogen 2.936 N/A SER 99.A OG ASN 100.A O no hydrogen 2.907 N/A ASN 103.A N ASN 100.A O no hydrogen 2.924 N/A ILE 104.A N LEU 101.A O no hydrogen 3.049 N/A PHE 108.A N ASP 105.A OD1 no hydrogen 3.039 N/A TYR 109.A N ASP 105.A O no hydrogen 3.196 N/A ASP 110.A N ASP 106.A O no hydrogen 2.841 N/A ARG 111.A N ALA 107.A O no hydrogen 2.935 N/A ARG 111.A NE ALA 96.A O no hydrogen 2.948 N/A ARG 111.A NH2 ALA 96.A O no hydrogen 2.936 N/A VAL 112.A N PHE 108.A O no hydrogen 3.117 N/A MET 113.A N TYR 109.A O no hydrogen 3.031 N/A ASP 114.A N ASP 110.A O no hydrogen 2.874 N/A LEU 115.A N ARG 111.A O no hydrogen 3.116 N/A ASN 116.A N VAL 112.A O no hydrogen 3.005 N/A ASN 116.A ND2 GLY 94.A O no hydrogen 2.834 N/A ASN 116.A ND2 VAL 112.A O no hydrogen 2.935 N/A GLY 117.A N MET 113.A O no hydrogen 2.705 N/A ARG 118.A N MET 113.A O no hydrogen 2.924 N/A ARG 118.A NE ASP 114.A OD1 no hydrogen 2.791 N/A ARG 118.A NH2 ASP 114.A OD1 no hydrogen 3.103 N/A SER 119.A N ASP 114.A O no hydrogen 3.118 N/A SER 119.A OG LEU 115.A O no hydrogen 2.660 N/A LEU 121.A N GLY 117.A O no hydrogen 3.115 N/A MET 122.A N ARG 118.A O no hydrogen 2.933 N/A MET 123.A N SER 119.A O no hydrogen 2.875 N/A THR 124.A N VAL 120.A O no hydrogen 3.005 N/A THR 124.A OG1 ASN 90.A OD1 no hydrogen 3.055 N/A THR 124.A OG1 VAL 120.A O no hydrogen 2.717 N/A LYS 125.A N LEU 121.A O no hydrogen 2.881 N/A PHE 126.A N MET 122.A O no hydrogen 2.917 N/A ALA 127.A N MET 123.A O no hydrogen 3.006 N/A ILE 128.A N THR 124.A O no hydrogen 2.897 N/A LEU 131.A N ALA 127.A O no hydrogen 2.912 N/A ARG 132.A N ILE 128.A O no hydrogen 2.750 N/A ARG 132.A NH2 ASP 184.A OD2 no hydrogen 3.278 N/A ALA 133.A N PRO 129.A O no hydrogen 3.049 N/A SER 134.A N HIS 130.A O no hydrogen 2.849 N/A SER 134.A OG ASP 86.A OD1 no hydrogen 2.646 N/A ALA 135.A N LEU 131.A O no hydrogen 3.012 N/A LYS 136.A N ARG 132.A O no hydrogen 3.097 N/A ALA 137.A N ALA 133.A O no hydrogen 3.073 N/A SER 138.A N SER 134.A O no hydrogen 3.084 N/A SER 138.A OG SER 134.A O no hydrogen 3.352 N/A SER 138.A OG ALA 135.A O no hydrogen 3.350 N/A SER 138.A OG THR 140.A OG1 no hydrogen 2.880 N/A GLY 139.A N ALA 135.A O no hydrogen 2.923 N/A THR 140.A N SER 138.A OG no hydrogen 3.168 N/A THR 140.A OG1 SER 138.A OG no hydrogen 2.880 N/A THR 140.A OG1 THR 141.A O no hydrogen 3.460 N/A SER 142.A N SER 185.A O no hydrogen 3.016 N/A SER 142.A OG LEU 131.A O no hydrogen 2.769 N/A ALA 143.A N ASP 86.A O no hydrogen 3.248 N/A VAL 144.A N ARG 187.A O no hydrogen 2.737 N/A ILE 145.A N LEU 88.A O no hydrogen 2.863 N/A SER 146.A N ASN 189.A O no hydrogen 2.995 N/A SER 146.A OG ASN 90.A OD1 no hydrogen 3.160 N/A SER 146.A OG HIS 174.A NE2 no hydrogen 2.761 N/A THR 147.A N ASN 90.A O no hydrogen 2.898 N/A THR 147.A OG1 ASN 91.A OD1 no hydrogen 2.738 N/A THR 147.A OG1 TYR 220.A OH no hydrogen 2.716 N/A GLY 148.A N VAL 191.A O no hydrogen 2.817 N/A SER 149.A N HIS 171.A NE2 no hydrogen 3.398 N/A ILE 150.A N PRO 193.A O no hydrogen 3.017 N/A ALA 151.A N SER 149.A OG no hydrogen 2.852 N/A ALA 152.A N SER 149.A O no hydrogen 2.994 N/A ARG 153.A N ILE 150.A O no hydrogen 2.851 N/A ARG 153.A NE ASP 238.A OD1 no hydrogen 3.289 N/A ARG 153.A NE ASP 238.A OD2 no hydrogen 2.876 N/A ARG 153.A NH2 ASP 238.A OD1 no hydrogen 2.842 N/A GLU 154.A N ILE 150.A O no hydrogen 3.400 N/A GLY 155.A N ALA 151.A O no hydrogen 3.225 N/A GLY 156.A N GLU 154.A OE2 no hydrogen 2.819 N/A ALA 160.A N GLY 157.A O no hydrogen 2.942 N/A ALA 164.A N ALA 160.A O no hydrogen 2.824 N/A ALA 165.A N GLY 161.A O no hydrogen 2.916 N/A SER 166.A N VAL 162.A O no hydrogen 2.867 N/A SER 166.A OG TYR 163.A O no hydrogen 2.647 N/A LYS 167.A N TYR 163.A O no hydrogen 3.038 N/A LYS 167.A N ALA 164.A O no hydrogen 3.021 N/A LYS 167.A NZ ASN 116.A OD1 no hydrogen 3.552 N/A LYS 167.A NZ THR 147.A O no hydrogen 2.980 N/A ALA 168.A N ALA 164.A O no hydrogen 3.020 N/A TRP 169.A N ALA 165.A O no hydrogen 2.814 N/A LEU 170.A N SER 166.A O no hydrogen 3.078 N/A HIS 171.A N LYS 167.A O no hydrogen 2.918 N/A ASP 172.A N ALA 168.A O no hydrogen 3.010 N/A ILE 173.A N TRP 169.A O no hydrogen 2.911 N/A HIS 174.A N LEU 170.A O no hydrogen 3.131 N/A HIS 174.A NE2 SER 146.A OG no hydrogen 2.761 N/A ARG 175.A N ASP 172.A O no hydrogen 2.962 N/A ARG 175.A NH2 ASP 172.A OD1 no hydrogen 2.975 N/A ASN 176.A N ASP 172.A O no hydrogen 3.282 N/A TRP 177.A N ILE 173.A O no hydrogen 2.897 N/A VAL 178.A N HIS 174.A O no hydrogen 3.008 N/A LYS 179.A N ARG 175.A O no hydrogen 3.426 N/A GLU 180.A N ASN 176.A O no hydrogen 3.051 N/A PHE 181.A N TRP 177.A O no hydrogen 2.785 N/A THR 182.A N VAL 178.A O no hydrogen 3.229 N/A THR 182.A OG1 VAL 178.A O no hydrogen 2.505 N/A LYS 183.A NZ GLU 180.A O no hydrogen 2.893 N/A ASP 184.A N PHE 181.A O no hydrogen 2.997 N/A SER 185.A N THR 182.A O no hydrogen 2.956 N/A ARG 187.A N SER 142.A O no hydrogen 2.911 N/A ARG 187.A NE THR 141.A OG1 no hydrogen 2.997 N/A ARG 187.A NH1 PHE 223.A O no hydrogen 3.321 N/A ARG 187.A NH1 ILE 232.A O no hydrogen 3.277 N/A ARG 187.A NH2 PHE 223.A O no hydrogen 2.923 N/A PHE 188.A N THR 233.A OG1 no hydrogen 2.905 N/A ASN 189.A N VAL 144.A O no hydrogen 3.010 N/A ASN 189.A ND2 ILE 232.A O no hydrogen 2.952 N/A ILE 190.A N GLN 235.A O no hydrogen 2.857 N/A VAL 191.A N SER 146.A O no hydrogen 3.152 N/A ALA 192.A N LEU 237.A O no hydrogen 2.840 N/A GLY 194.A N VAL 239.A O no hydrogen 3.008 N/A THR 195.A OG1 GLN 243.A OE1 no hydrogen 3.112 N/A ASP 197.A N GLY 211.A O no hydrogen 3.050 N/A ALA 202.A N LYS 198.A O no hydrogen 2.991 N/A ASN 203.A N THR 199.A O no hydrogen 2.999 N/A SER 204.A N ARG 200.A O no hydrogen 3.243 N/A SER 204.A N ILE 201.A O no hydrogen 3.119 N/A SER 204.A OG ILE 201.A O no hydrogen 2.622 N/A ILE 205.A N ALA 202.A O no hydrogen 3.043 N/A MET 207.A N GLY 241.A O no hydrogen 3.164 N/A GLY 208.A N ILE 205.A O no hydrogen 2.799 N/A ARG 209.A NH1 PHE 210.A O no hydrogen 3.362 N/A ARG 209.A NH1 GLU 215.A OE1 no hydrogen 2.972 N/A ARG 209.A NH1 GLU 215.A OE2 no hydrogen 3.130 N/A ARG 209.A NH2 GLU 215.A OE2 no hydrogen 2.670 N/A GLY 211.A N THR 195.A O no hydrogen 2.881 N/A THR 212.A N GLU 215.A OE1 no hydrogen 2.816 N/A THR 212.A OG1 GLN 214.A OE1 no hydrogen 3.550 N/A THR 212.A OG1 GLU 215.A OE1 no hydrogen 3.082 N/A GLU 215.A N THR 212.A O no hydrogen 2.901 N/A LEU 216.A N VAL 213.A O no hydrogen 3.076 N/A ALA 217.A N VAL 213.A O no hydrogen 3.156 N/A ALA 219.A N LEU 216.A O no hydrogen 3.264 N/A TYR 220.A OH THR 147.A OG1 no hydrogen 2.716 N/A VAL 221.A N ALA 217.A O no hydrogen 3.169 N/A PHE 222.A N PRO 218.A O no hydrogen 2.927 N/A PHE 223.A N ALA 219.A O no hydrogen 3.076 N/A ALA 224.A N TYR 220.A O no hydrogen 2.907 N/A ALA 224.A N VAL 221.A O no hydrogen 3.138 N/A SER 225.A N VAL 221.A O no hydrogen 3.215 N/A SER 225.A OG ASP 3.A OD1 no hydrogen 2.716 N/A SER 225.A OG ASP 3.A OD2 no hydrogen 3.326 N/A ALA 227.A N ASP 3.A OD2 no hydrogen 2.782 N/A ALA 228.A N SER 225.A O no hydrogen 3.107 N/A ALA 228.A N SER 225.A OG no hydrogen 3.279 N/A SER 229.A N SER 225.A O no hydrogen 2.930 N/A SER 229.A OG PHE 222.A O no hydrogen 2.780 N/A SER 229.A OG SER 225.A O no hydrogen 3.046 N/A ILE 232.A N SER 229.A O no hydrogen 2.869 N/A THR 233.A OG1 PHE 188.A O no hydrogen 3.523 N/A GLY 234.A N PHE 188.A O no hydrogen 2.680 N/A GLN 235.A N ASN 189.A OD1 no hydrogen 3.124 N/A GLN 235.A NE2 THR 233.A O no hydrogen 2.845 N/A LEU 237.A N ILE 190.A O no hydrogen 2.811 N/A VAL 239.A N ALA 192.A O no hydrogen 2.954 N/A ASN 240.A ND2 ILE 244.A O no hydrogen 3.115 N/A GLY 242.A N ASN 240.A OD1 no hydrogen 2.874 N/A GLN 243.A N ASN 240.A O no hydrogen 2.975 N/A CYS 245.A SG GLY 242.A O no hydrogen 3.641 N/A