Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cjq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A N PHE 39.A O no hydrogen 2.966 N/A VAL 3.A N GLU 52.A O no hydrogen 2.728 N/A TYR 4.A N ALA 37.A O no hydrogen 2.793 N/A ARG 5.A N VAL 50.A O no hydrogen 2.667 N/A ARG 5.A NE GLU 34.A OE2 no hydrogen 2.865 N/A ARG 5.A NH1 GLU 52.A OE2 no hydrogen 3.161 N/A ARG 5.A NH2 GLU 34.A OE1 no hydrogen 3.108 N/A ARG 5.A NH2 GLU 34.A OE2 no hydrogen 3.201 N/A LEU 6.A N VAL 35.A O no hydrogen 3.058 N/A GLY 8.A N GLY 33.A O no hydrogen 2.741 N/A LEU 10.A N GLU 30.A OE1 no hydrogen 2.956 N/A ALA 12.A N THR 9.A OG1 no hydrogen 3.155 N/A LEU 13.A N THR 9.A O no hydrogen 2.913 N/A ASP 14.A N GLU 11.A O no hydrogen 3.410 N/A ILE 16.A N LEU 13.A O no hydrogen 2.883 N/A LEU 17.A N LEU 13.A O no hydrogen 3.296 N/A LEU 17.A N ASP 14.A O no hydrogen 3.155 N/A LEU 20.A N ILE 16.A O no hydrogen 3.292 N/A LEU 20.A N LEU 17.A O no hydrogen 3.096 N/A PHE 21.A N LEU 17.A O no hydrogen 3.427 N/A ASP 22.A N PRO 18.A O no hydrogen 2.944 N/A GLY 23.A N GLY 19.A O no hydrogen 2.875 N/A GLY 24.A N PHE 21.A O no hydrogen 2.536 N/A ALA 25.A N LEU 20.A O no hydrogen 3.168 N/A ARG 26.A N PHE 38.A O no hydrogen 2.844 N/A TRP 29.A N TRP 36.A O no hydrogen 2.929 N/A ARG 31.A N GLU 34.A O no hydrogen 2.767 N/A GLU 34.A N ARG 31.A O no hydrogen 3.099 N/A VAL 35.A N LEU 6.A O no hydrogen 2.642 N/A TRP 36.A N TRP 29.A O no hydrogen 2.907 N/A TRP 36.A NE1 GLU 34.A OE2 no hydrogen 2.822 N/A ALA 37.A N TYR 4.A O no hydrogen 2.984 N/A PHE 38.A N GLY 27.A O no hydrogen 3.085 N/A PHE 39.A N TRP 2.A O no hydrogen 2.869 N/A VAL 50.A N ARG 5.A O no hydrogen 3.189 N/A GLU 52.A N VAL 3.A O no hydrogen 3.017 N/A VAL 54.A N MET 1.A O no hydrogen 3.081 N/A TRP 62.A N TRP 58.A O no hydrogen 3.415 N/A ASP 65.A N TRP 62.A O no hydrogen 3.287 N/A LEU 66.A N ARG 63.A O no hydrogen 2.919 N/A ALA 69.A N VAL 76.A O no hydrogen 2.919 N/A ALA 71.A N PHE 74.A O no hydrogen 3.026 N/A PHE 74.A N ALA 71.A O no hydrogen 2.660 N/A VAL 75.A N ILE 88.A O no hydrogen 3.109 N/A VAL 76.A N ALA 69.A O no hydrogen 2.733 N/A LEU 77.A N LEU 90.A O no hydrogen 2.877 N/A ALA 78.A N HIS 81.A ND1 no hydrogen 2.984 N/A HIS 81.A N ALA 78.A O no hydrogen 2.898 N/A HIS 81.A NE2 LEU 66.A O no hydrogen 3.024 N/A TRP 83.A NE1 GLU 87.A OE1 no hydrogen 3.060 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.800 N/A ILE 88.A N PRO 73.A O no hydrogen 2.694 N/A LEU 90.A N VAL 75.A O no hydrogen 2.904 N/A VAL 91.A N ASN 164.A OD1 no hydrogen 2.679 N/A ILE 92.A N LEU 77.A O no hydrogen 2.730 N/A HIS 102.A N THR 100.A OG1 no hydrogen 3.126 N/A HIS 102.A NE2 LYS 67.A O no hydrogen 3.170 N/A HIS 103.A ND1 THR 105.A OG1 no hydrogen 2.787 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 2.675 N/A THR 105.A N HIS 103.A ND1 no hydrogen 3.311 N/A THR 105.A OG1 HIS 103.A ND1 no hydrogen 2.787 N/A THR 105.A OG1 ASN 190.A OD1 no hydrogen 3.452 N/A ARG 107.A N HIS 103.A O no hydrogen 3.212 N/A ARG 107.A NH1 GLY 101.A O no hydrogen 3.425 N/A ARG 107.A NH2 GLU 243.A OE1 no hydrogen 3.537 N/A ARG 107.A NH2 GLU 243.A OE2 no hydrogen 2.753 N/A LEU 108.A N GLU 104.A O no hydrogen 2.815 N/A ALA 109.A N THR 105.A O no hydrogen 2.795 N/A LEU 110.A N THR 106.A O no hydrogen 3.025 N/A LYS 111.A N ARG 107.A O no hydrogen 2.999 N/A ALA 112.A N LEU 108.A O no hydrogen 2.946 N/A LEU 113.A N ALA 109.A O no hydrogen 2.824 N/A ALA 114.A N LEU 110.A O no hydrogen 3.362 N/A ARG 115.A N LYS 111.A O no hydrogen 3.390 N/A ARG 115.A NE GLU 239.A OE2 no hydrogen 3.052 N/A ARG 115.A NH2 GLU 239.A OE2 no hydrogen 2.929 N/A HIS 116.A N ALA 112.A O no hydrogen 3.090 N/A HIS 116.A N LEU 113.A O no hydrogen 3.141 N/A HIS 116.A NE2 GLU 239.A OE2 no hydrogen 2.819 N/A LEU 117.A N LEU 113.A O no hydrogen 2.869 N/A ARG 118.A N ASP 121.A OD2 no hydrogen 2.762 N/A GLY 120.A N GLY 141.A O no hydrogen 2.872 N/A ASP 121.A N ARG 118.A O no hydrogen 3.014 N/A LYS 122.A N ASP 185.A OD1 no hydrogen 2.868 N/A LYS 122.A NZ PHE 181.A O no hydrogen 3.050 N/A VAL 123.A N LYS 143.A O no hydrogen 2.779 N/A LEU 124.A N LEU 186.A O no hydrogen 2.858 N/A ASP 125.A N LEU 145.A O no hydrogen 2.724 N/A LEU 126.A N VAL 188.A O no hydrogen 2.909 N/A GLY 127.A N VAL 147.A O no hydrogen 2.830 N/A THR 128.A N VAL 147.A O no hydrogen 2.976 N/A THR 128.A OG1 ASP 125.A OD2 no hydrogen 2.747 N/A GLY 129.A N ASP 148.A OD1 no hydrogen 2.874 N/A SER 130.A N PHE 98.A O no hydrogen 2.853 N/A SER 130.A OG GLY 99.A O no hydrogen 2.418 N/A GLY 131.A N THR 128.A O no hydrogen 2.642 N/A VAL 132.A N SER 130.A OG no hydrogen 3.259 N/A ALA 134.A N ASP 125.A OD2 no hydrogen 3.227 N/A ILE 135.A N GLY 131.A O no hydrogen 2.891 N/A ALA 136.A N VAL 132.A O no hydrogen 2.888 N/A ALA 137.A N LEU 133.A O no hydrogen 2.773 N/A GLU 138.A N ALA 134.A O no hydrogen 3.150 N/A LYS 139.A N ILE 135.A O no hydrogen 2.937 N/A LYS 139.A NZ ASN 164.A O no hydrogen 3.094 N/A LEU 140.A N ALA 136.A O no hydrogen 2.957 N/A GLY 141.A N GLU 138.A O no hydrogen 2.880 N/A GLY 142.A N ALA 137.A O no hydrogen 2.674 N/A LYS 143.A N ASP 121.A O no hydrogen 2.751 N/A ALA 144.A N GLU 138.A OE1 no hydrogen 2.744 N/A LEU 145.A N VAL 123.A O no hydrogen 2.827 N/A GLY 146.A N ARG 169.A O no hydrogen 2.804 N/A VAL 147.A N ASP 125.A O no hydrogen 3.205 N/A ASP 148.A N LEU 171.A O no hydrogen 3.223 N/A ASP 150.A N ASP 148.A OD2 no hydrogen 2.917 N/A MET 152.A N ASP 150.A OD1 no hydrogen 2.972 N/A LEU 154.A N PRO 151.A O no hydrogen 3.292 N/A GLN 156.A NE2 MET 152.A O no hydrogen 2.885 N/A ALA 157.A N VAL 153.A O no hydrogen 2.861 N/A GLU 158.A N LEU 154.A O no hydrogen 2.936 N/A ALA 159.A N PRO 155.A O no hydrogen 2.999 N/A ASN 160.A N GLN 156.A O no hydrogen 2.912 N/A ASN 160.A ND2 SER 130.A O no hydrogen 2.868 N/A ALA 161.A N ALA 157.A O no hydrogen 3.000 N/A LYS 162.A N GLU 158.A O no hydrogen 2.947 N/A ARG 163.A N ALA 159.A O no hydrogen 3.166 N/A ARG 163.A NE ASN 160.A OD1 no hydrogen 2.684 N/A ARG 163.A NH2 ASN 160.A OD1 no hydrogen 2.836 N/A ASN 164.A N ASN 160.A O no hydrogen 3.193 N/A ASN 164.A N ALA 161.A O no hydrogen 3.134 N/A ASN 164.A ND2 VAL 91.A O no hydrogen 2.597 N/A ASN 164.A ND2 ASN 160.A O no hydrogen 2.735 N/A GLY 165.A N LYS 162.A O no hydrogen 3.155 N/A VAL 166.A N ALA 161.A O no hydrogen 3.429 N/A ARG 169.A N ALA 144.A O no hydrogen 3.049 N/A LEU 171.A N GLY 146.A O no hydrogen 2.937 N/A GLY 173.A N ASP 148.A O no hydrogen 3.097 N/A ALA 178.A N SER 174.A O no hydrogen 3.168 N/A ALA 178.A N LEU 175.A O no hydrogen 2.925 N/A LEU 179.A N LEU 175.A O no hydrogen 3.075 N/A LEU 179.A N GLU 176.A O no hydrogen 3.314 N/A PHE 181.A N ALA 178.A O no hydrogen 2.855 N/A GLY 182.A N LEU 179.A O no hydrogen 3.006 N/A PHE 184.A N ALA 206.A O no hydrogen 2.775 N/A ASP 185.A N LYS 122.A O no hydrogen 2.761 N/A LEU 186.A N LYS 122.A O no hydrogen 3.181 N/A LEU 187.A N ARG 212.A O no hydrogen 2.913 N/A VAL 188.A N LEU 124.A O no hydrogen 2.804 N/A ALA 189.A N LEU 214.A O no hydrogen 3.100 N/A ASN 190.A ND2 THR 105.A OG1 no hydrogen 3.075 N/A LEU 191.A N THR 216.A O no hydrogen 2.900 N/A HIS 196.A N TYR 192.A O no hydrogen 3.261 N/A HIS 196.A ND1 TYR 203.A OH no hydrogen 2.892 N/A HIS 196.A NE2 THR 216.A O no hydrogen 2.714 N/A ALA 197.A N ALA 193.A O no hydrogen 3.134 N/A ALA 198.A N GLU 194.A O no hydrogen 2.996 N/A LEU 199.A N LEU 195.A O no hydrogen 2.876 N/A ARG 202.A N LEU 199.A O no hydrogen 2.778 N/A ARG 202.A NH2 ALA 198.A O no hydrogen 3.254 N/A TYR 203.A N LEU 199.A O no hydrogen 2.839 N/A TYR 203.A OH HIS 196.A ND1 no hydrogen 2.892 N/A ARG 204.A N ALA 200.A O no hydrogen 3.274 N/A ALA 206.A N ARG 202.A O no hydrogen 3.065 N/A ALA 206.A N TYR 203.A O no hydrogen 3.159 N/A LEU 207.A N ARG 204.A O no hydrogen 3.359 N/A VAL 208.A N PHE 184.A O no hydrogen 2.930 N/A GLY 210.A N ARG 253.A OXT no hydrogen 2.722 N/A GLY 211.A N VAL 208.A O no hydrogen 2.890 N/A ARG 212.A N ASP 185.A O no hydrogen 3.121 N/A ALA 213.A N TYR 251.A O no hydrogen 2.970 N/A LEU 214.A N LEU 187.A O no hydrogen 2.745 N/A LEU 215.A N LEU 249.A O no hydrogen 2.903 N/A THR 216.A N ALA 189.A O no hydrogen 2.941 N/A THR 216.A OG1 VAL 247.A O no hydrogen 2.804 N/A GLY 217.A N THR 216.A OG1 no hydrogen 2.578 N/A LYS 220.A N GLU 245.A O no hydrogen 2.827 N/A ARG 222.A N LEU 219.A O no hydrogen 2.758 N/A ALA 223.A N LYS 220.A O no hydrogen 3.255 N/A LEU 225.A N ARG 222.A O no hydrogen 3.296 N/A VAL 226.A N ALA 223.A O no hydrogen 2.684 N/A ARG 227.A N ALA 223.A O no hydrogen 2.962 N/A ARG 227.A NE GLU 240.A OE1 no hydrogen 2.944 N/A ARG 227.A NH2 GLU 240.A OE2 no hydrogen 3.085 N/A GLU 228.A N PRO 224.A O no hydrogen 2.787 N/A ALA 229.A N LEU 225.A O no hydrogen 3.106 N/A MET 230.A N VAL 226.A O no hydrogen 3.031 N/A ALA 231.A N ARG 227.A O no hydrogen 3.039 N/A GLY 232.A N GLU 228.A O no hydrogen 2.846 N/A ALA 233.A N MET 230.A O no hydrogen 3.253 N/A GLY 234.A N ALA 231.A O no hydrogen 3.101 N/A PHE 235.A N MET 230.A O no hydrogen 2.956 N/A ARG 236.A N GLY 252.A O no hydrogen 2.775 N/A LEU 238.A N ALA 250.A O no hydrogen 2.812 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.674 N/A ALA 241.A N LEU 248.A O no hydrogen 2.864 N/A GLU 243.A N TRP 246.A O no hydrogen 2.964 N/A TRP 246.A N GLU 243.A O no hydrogen 3.004 N/A VAL 247.A N ILE 218.A O no hydrogen 2.945 N/A LEU 248.A N ALA 241.A O no hydrogen 2.810 N/A LEU 249.A N LEU 215.A O no hydrogen 2.776 N/A ALA 250.A N GLU 239.A O no hydrogen 3.168 N/A TYR 251.A N ALA 213.A O no hydrogen 2.886 N/A GLY 252.A N ARG 236.A O no hydrogen 2.852 N/A ARG 253.A N GLY 211.A O no hydrogen 2.946 N/A ARG 253.A NE LEU 207.A O no hydrogen 3.348 N/A ARG 253.A NH2 LEU 207.A O no hydrogen 3.330 N/A