Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3un1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N SER 3.A O no hydrogen 3.167 N/A VAL 9.A N ASP 77.A OD2 no hydrogen 2.985 N/A VAL 10.A N ARG 33.A O no hydrogen 2.965 N/A VAL 11.A N SER 78.A O no hydrogen 2.832 N/A ILE 12.A N VAL 35.A O no hydrogen 2.997 N/A THR 13.A N VAL 80.A O no hydrogen 3.029 N/A THR 13.A OG1 VAL 80.A O no hydrogen 3.446 N/A ALA 15.A N THR 37.A O no hydrogen 2.939 N/A SER 16.A OG SER 38.A OG no hydrogen 2.748 N/A ALA 21.A N GLN 17.A O no hydrogen 3.219 N/A GLY 22.A N GLY 18.A O no hydrogen 3.228 N/A LEU 23.A N ILE 19.A O no hydrogen 3.051 N/A VAL 24.A N GLY 20.A O no hydrogen 2.979 N/A ARG 25.A N ALA 21.A O no hydrogen 3.198 N/A ALA 26.A N GLY 22.A O no hydrogen 2.917 N/A TYR 27.A N LEU 23.A O no hydrogen 2.670 N/A TYR 27.A OH GLU 211.A OE1 no hydrogen 2.657 N/A ARG 28.A N VAL 24.A O no hydrogen 2.902 N/A ARG 28.A NE ASP 46.A OD2 no hydrogen 3.020 N/A ARG 28.A NH1 TYR 32.A O no hydrogen 2.651 N/A ASP 29.A N ARG 25.A O no hydrogen 2.962 N/A ARG 30.A N ALA 26.A O no hydrogen 3.327 N/A ARG 30.A N TYR 27.A O no hydrogen 3.268 N/A ASN 31.A N ARG 28.A O no hydrogen 2.813 N/A TYR 32.A N TYR 27.A O no hydrogen 2.950 N/A TYR 32.A OH GLU 211.A OE2 no hydrogen 3.153 N/A ARG 33.A N LYS 8.A O no hydrogen 2.759 N/A ARG 33.A NH2 GLN 7.A O no hydrogen 3.171 N/A ARG 33.A NH2 PHE 73.A O no hydrogen 3.496 N/A VAL 34.A N ASP 48.A O no hydrogen 3.007 N/A VAL 35.A N VAL 10.A O no hydrogen 2.801 N/A ALA 36.A N HIS 50.A O no hydrogen 2.757 N/A THR 37.A N ILE 12.A O no hydrogen 2.946 N/A SER 38.A OG SER 16.A OG no hydrogen 2.748 N/A SER 40.A N SER 38.A OG no hydrogen 3.150 N/A ASP 46.A N SER 44.A OG no hydrogen 3.012 N/A ASP 48.A N ASP 46.A OD1 no hydrogen 2.892 N/A ILE 49.A N ASP 46.A O no hydrogen 3.120 N/A HIS 50.A N VAL 34.A O no hydrogen 2.780 N/A THR 51.A OG1 LYS 42.A O no hydrogen 3.322 N/A VAL 52.A N ALA 36.A O no hydrogen 3.097 N/A GLY 54.A N SER 38.A O no hydrogen 3.030 N/A SER 57.A N ASP 55.A OD1 no hydrogen 2.969 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 3.128 N/A LYS 58.A N ASP 55.A O no hydrogen 3.063 N/A THR 61.A N LYS 58.A O no hydrogen 3.003 N/A THR 61.A OG1 ASP 55.A O no hydrogen 2.868 N/A ALA 62.A N LYS 58.A O no hydrogen 3.466 N/A ASP 63.A N PRO 59.A O no hydrogen 3.111 N/A ARG 64.A N GLU 60.A O no hydrogen 3.112 N/A ARG 64.A NH1 ALA 53.A O no hydrogen 3.551 N/A ARG 64.A NH2 ALA 53.A O no hydrogen 2.732 N/A ILE 65.A N THR 61.A O no hydrogen 2.818 N/A VAL 66.A N ALA 62.A O no hydrogen 3.222 N/A ARG 67.A N ASP 63.A O no hydrogen 2.791 N/A GLU 68.A N ARG 64.A O no hydrogen 2.776 N/A GLY 69.A N ILE 65.A O no hydrogen 2.793 N/A ILE 70.A N VAL 66.A O no hydrogen 2.781 N/A GLU 71.A N ARG 67.A O no hydrogen 2.855 N/A ARG 72.A N GLU 68.A O no hydrogen 2.922 N/A ARG 72.A NH2 PRO 47.A O no hydrogen 2.358 N/A PHE 73.A N GLY 69.A O no hydrogen 2.836 N/A GLY 74.A N ILE 70.A O no hydrogen 2.563 N/A ARG 75.A NH2 ASP 77.A OD1 no hydrogen 2.965 N/A ASP 77.A N VAL 9.A O no hydrogen 2.715 N/A SER 78.A N VAL 9.A O no hydrogen 3.046 N/A SER 78.A OG GLU 211.A OE2 no hydrogen 2.648 N/A LEU 79.A N HIS 126.A O no hydrogen 2.892 N/A VAL 80.A N VAL 11.A O no hydrogen 2.826 N/A ASN 81.A N VAL 128.A O no hydrogen 2.775 N/A ASN 82.A N THR 13.A OG1 no hydrogen 2.976 N/A ASN 82.A ND2 THR 13.A O no hydrogen 3.350 N/A ASN 82.A ND2 GLY 14.A O no hydrogen 2.827 N/A ALA 83.A N THR 13.A OG1 no hydrogen 2.888 N/A VAL 85.A N ASN 105.A OD1 no hydrogen 2.832 N/A LYS 89.A N PRO 141.A O no hydrogen 2.883 N/A LYS 89.A NZ GLU 93.A O no hydrogen 3.419 N/A LYS 89.A NZ ASP 97.A OD2 no hydrogen 3.261 N/A GLU 93.A N PRO 90.A O no hydrogen 3.084 N/A THR 94.A OG1 GLU 96.A OE1 no hydrogen 3.423 N/A ASP 97.A N THR 94.A OG1 no hydrogen 2.876 N/A TYR 98.A N THR 94.A O no hydrogen 2.904 N/A ASP 99.A N GLN 95.A O no hydrogen 2.937 N/A HIS 100.A N GLU 96.A O no hydrogen 2.948 N/A ASN 101.A N ASP 97.A O no hydrogen 3.085 N/A LEU 102.A N TYR 98.A O no hydrogen 2.848 N/A GLY 103.A N ASP 99.A O no hydrogen 2.969 N/A VAL 104.A N HIS 100.A O no hydrogen 3.207 N/A ASN 105.A N ASN 101.A O no hydrogen 2.997 N/A ASN 105.A ND2 VAL 85.A O no hydrogen 3.066 N/A ASN 105.A ND2 THR 148.A OG1 no hydrogen 3.161 N/A VAL 106.A N LEU 102.A O no hydrogen 2.778 N/A ALA 107.A N LEU 102.A O no hydrogen 3.140 N/A GLY 108.A N GLY 103.A O no hydrogen 2.674 N/A PHE 110.A N VAL 106.A O no hydrogen 2.900 N/A PHE 110.A N ALA 107.A O no hydrogen 3.019 N/A HIS 111.A N ALA 107.A O no hydrogen 3.160 N/A THR 113.A N PHE 109.A O no hydrogen 3.190 N/A THR 113.A OG1 ASN 81.A OD1 no hydrogen 3.259 N/A THR 113.A OG1 PHE 109.A O no hydrogen 2.409 N/A GLN 114.A N PHE 110.A O no hydrogen 3.040 N/A ARG 115.A N HIS 111.A O no hydrogen 3.110 N/A ARG 115.A NE ASP 63.A OD1 no hydrogen 2.490 N/A ARG 115.A NH2 ASP 63.A OD1 no hydrogen 2.892 N/A ALA 116.A N ILE 112.A O no hydrogen 2.776 N/A ALA 117.A N THR 113.A O no hydrogen 2.948 N/A ALA 118.A N GLN 114.A O no hydrogen 3.222 N/A LYS 121.A N ALA 118.A O no hydrogen 3.052 N/A GLN 122.A N GLU 119.A O no hydrogen 3.195 N/A GLN 122.A NE2 ILE 76.A O no hydrogen 3.148 N/A GLN 122.A NE2 SER 124.A O no hydrogen 2.727 N/A GLY 123.A N LEU 120.A O no hydrogen 2.916 N/A GLY 125.A N GLY 166.A O no hydrogen 3.211 N/A HIS 126.A N ASP 77.A O no hydrogen 2.939 N/A ILE 127.A N ARG 168.A O no hydrogen 2.920 N/A VAL 128.A N LEU 79.A O no hydrogen 3.006 N/A SER 129.A N ASN 170.A O no hydrogen 2.933 N/A ILE 130.A N ASN 81.A O no hydrogen 3.042 N/A THR 131.A N VAL 172.A O no hydrogen 2.776 N/A SER 133.A N PRO 174.A O no hydrogen 3.182 N/A SER 133.A OG SER 173.A O no hydrogen 3.341 N/A SER 133.A OG SER 173.A OG no hydrogen 2.844 N/A SER 133.A OG ASP 224.A OD2 no hydrogen 3.039 N/A VAL 135.A N THR 132.A O no hydrogen 3.153 N/A GLN 137.A N SER 133.A O no hydrogen 2.789 N/A ALA 145.A N SER 142.A O no hydrogen 3.021 N/A SER 146.A N SER 142.A O no hydrogen 3.272 N/A LEU 147.A N ALA 143.A O no hydrogen 2.912 N/A THR 148.A N LEU 144.A O no hydrogen 2.905 N/A THR 148.A OG1 LEU 144.A O no hydrogen 2.884 N/A LYS 149.A N ALA 145.A O no hydrogen 2.844 N/A LYS 149.A NZ ILE 130.A O no hydrogen 3.244 N/A GLY 150.A N SER 146.A O no hydrogen 2.598 N/A GLY 151.A N LEU 147.A O no hydrogen 3.184 N/A LEU 152.A N THR 148.A O no hydrogen 3.155 N/A ASN 153.A N LYS 149.A O no hydrogen 3.071 N/A ALA 154.A N GLY 150.A O no hydrogen 3.198 N/A ALA 154.A N GLY 151.A O no hydrogen 3.057 N/A VAL 155.A N GLY 151.A O no hydrogen 3.033 N/A THR 156.A N LEU 152.A O no hydrogen 2.969 N/A THR 156.A OG1 LEU 152.A O no hydrogen 2.752 N/A ARG 157.A N ASN 153.A O no hydrogen 3.453 N/A SER 158.A N ALA 154.A O no hydrogen 2.891 N/A LEU 159.A N VAL 155.A O no hydrogen 2.760 N/A ALA 160.A N THR 156.A O no hydrogen 3.131 N/A PHE 162.A N LEU 159.A O no hydrogen 2.875 N/A SER 163.A OG ALA 160.A O no hydrogen 3.167 N/A SER 165.A N PHE 162.A O no hydrogen 2.947 N/A ARG 168.A N GLY 125.A O no hydrogen 2.917 N/A ARG 168.A NH1 LEU 210.A O no hydrogen 3.045 N/A ARG 168.A NH1 ILE 216.A O no hydrogen 2.964 N/A ARG 168.A NH2 LEU 210.A O no hydrogen 3.078 N/A ASN 170.A N ILE 127.A O no hydrogen 2.767 N/A ASN 170.A ND2 GLU 219.A O no hydrogen 3.652 N/A ALA 171.A N GLU 219.A O no hydrogen 2.909 N/A VAL 172.A N SER 129.A O no hydrogen 2.793 N/A SER 173.A N LEU 221.A O no hydrogen 2.918 N/A SER 173.A OG SER 133.A OG no hydrogen 2.844 N/A GLY 175.A N VAL 223.A O no hydrogen 2.849 N/A LYS 178.A N GLY 198.A O no hydrogen 2.834 N/A LYS 178.A NZ HIS 186.A ND1 no hydrogen 2.674 N/A THR 185.A N PRO 182.A O no hydrogen 2.887 N/A THR 185.A OG1 PRO 182.A O no hydrogen 2.828 N/A HIS 186.A N ALA 183.A O no hydrogen 3.200 N/A HIS 186.A NE2 HIS 181.A O no hydrogen 2.629 N/A LEU 189.A N THR 185.A O no hydrogen 2.908 N/A ALA 190.A N HIS 186.A O no hydrogen 2.973 N/A LEU 192.A N LEU 189.A O no hydrogen 2.952 N/A HIS 193.A N ALA 190.A O no hydrogen 3.215 N/A VAL 195.A N GLY 225.A O no hydrogen 3.229 N/A GLY 196.A N HIS 193.A O no hydrogen 2.745 N/A GLY 198.A N VAL 176.A O no hydrogen 2.965 N/A GLU 199.A N ASP 202.A OD2 no hydrogen 2.909 N/A ASP 202.A N GLU 199.A O no hydrogen 3.069 N/A VAL 203.A N ILE 200.A O no hydrogen 3.133 N/A VAL 204.A N ILE 200.A O no hydrogen 3.077 N/A ASP 205.A N ARG 201.A O no hydrogen 3.134 N/A ALA 206.A N ASP 202.A O no hydrogen 3.325 N/A VAL 207.A N VAL 203.A O no hydrogen 3.161 N/A LEU 208.A N VAL 204.A O no hydrogen 3.152 N/A TYR 209.A N ASP 205.A O no hydrogen 2.904 N/A LEU 210.A N ALA 206.A O no hydrogen 3.023 N/A GLU 211.A N VAL 207.A O no hydrogen 2.756 N/A HIS 212.A N LEU 208.A O no hydrogen 3.296 N/A ALA 213.A N LEU 210.A O no hydrogen 3.113 N/A ILE 216.A N ALA 213.A O no hydrogen 3.073 N/A GLY 218.A N VAL 169.A O no hydrogen 2.473 N/A ILE 220.A N GLU 219.A OE1 no hydrogen 2.946 N/A LEU 221.A N ALA 171.A O no hydrogen 3.071 N/A HIS 222.A NE2 ASP 136.A OD2 no hydrogen 3.115 N/A VAL 223.A N SER 173.A O no hydrogen 2.980 N/A GLY 226.A N ASP 224.A OD1 no hydrogen 2.882 N/A GLN 227.A N ASP 224.A O no hydrogen 3.117 N/A GLN 227.A NE2 LEU 192.A O no hydrogen 2.705 N/A ASN 228.A N ASP 224.A OD2 no hydrogen 2.872 N/A ALA 229.A N GLY 226.A O no hydrogen 2.837 N/A TRP 232.A NE1 GLY 191.A O no hydrogen 3.240 N/A