Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5j5s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ASP 1.A OD1 no hydrogen 2.527 N/A GLU 4.A N ASP 1.A O no hydrogen 3.193 N/A ILE 5.A N VAL 71.A O no hydrogen 3.145 N/A ARG 7.A NH1 PRO 76.A O no hydrogen 2.875 N/A ARG 7.A NH2 GLU 74.A O no hydrogen 2.910 N/A ARG 7.A NH2 PRO 76.A O no hydrogen 3.104 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.869 N/A SER 9.A N PRO 6.A O no hydrogen 3.147 N/A SER 9.A OG PRO 6.A O no hydrogen 2.686 N/A LEU 10.A N ARG 7.A O no hydrogen 3.447 N/A ARG 11.A N THR 28.A O no hydrogen 2.991 N/A ARG 11.A NH2 GLU 8.A O no hydrogen 3.045 N/A GLU 13.A N MET 26.A O no hydrogen 2.814 N/A VAL 14.A N MET 26.A O no hydrogen 2.983 N/A LYS 15.A NZ GLU 23.A OE1 no hydrogen 3.242 N/A LEU 16.A N VAL 24.A O no hydrogen 2.643 N/A GLY 17.A N VAL 24.A O no hydrogen 3.394 N/A GLY 19.A N GLY 22.A O no hydrogen 2.801 N/A GLU 23.A N THR 39.A O no hydrogen 3.165 N/A VAL 24.A N GLY 17.A O no hydrogen 3.154 N/A TRP 25.A N ILE 37.A O no hydrogen 2.700 N/A TRP 25.A NE1 GLU 23.A OE2 no hydrogen 3.284 N/A MET 26.A N VAL 14.A O no hydrogen 2.606 N/A GLY 27.A N VAL 35.A O no hydrogen 2.831 N/A THR 28.A N ARG 11.A O no hydrogen 3.024 N/A THR 28.A OG1 GLU 13.A OE1 no hydrogen 2.407 N/A TRP 29.A N THR 33.A O no hydrogen 2.740 N/A ASN 30.A N SER 9.A O no hydrogen 2.774 N/A THR 32.A N TRP 29.A O no hydrogen 3.233 N/A THR 33.A N TRP 29.A O no hydrogen 2.973 N/A THR 33.A OG1 TRP 29.A O no hydrogen 3.489 N/A ARG 34.A NE GLY 27.A O no hydrogen 3.346 N/A VAL 35.A N GLY 27.A O no hydrogen 2.987 N/A ALA 36.A N THR 81.A O no hydrogen 2.927 N/A ILE 37.A N TRP 25.A O no hydrogen 2.755 N/A LYS 38.A N ILE 79.A O no hydrogen 2.766 N/A THR 39.A N GLU 23.A O no hydrogen 2.909 N/A LEU 40.A N ILE 77.A O no hydrogen 3.055 N/A LYS 41.A NZ THR 39.A OG1 no hydrogen 3.361 N/A THR 44.A N LYS 41.A O no hydrogen 2.984 N/A THR 44.A OG1 LYS 41.A O no hydrogen 2.768 N/A ALA 49.A N SER 46.A OG no hydrogen 2.851 N/A PHE 50.A N SER 46.A O no hydrogen 2.925 N/A LEU 51.A N PRO 47.A O no hydrogen 3.236 N/A GLU 53.A N ALA 49.A O no hydrogen 3.254 N/A ALA 54.A N PHE 50.A O no hydrogen 2.850 N/A LYS 58.A N ALA 54.A O no hydrogen 3.038 N/A LYS 58.A NZ ASP 1.A OD2 no hydrogen 2.634 N/A LYS 59.A N GLN 55.A O no hydrogen 2.952 N/A LYS 59.A N VAL 56.A O no hydrogen 2.845 N/A LEU 60.A N VAL 56.A O no hydrogen 2.941 N/A ARG 61.A N TYR 119.A OH no hydrogen 2.963 N/A LYS 64.A N HIS 62.A ND1 no hydrogen 3.016 N/A LYS 64.A NZ GLN 112.A OE1 no hydrogen 2.723 N/A LEU 65.A N HIS 62.A O no hydrogen 2.924 N/A VAL 66.A N VAL 145.A O no hydrogen 3.027 N/A GLN 67.A N GLU 82.A OE1 no hydrogen 2.727 N/A GLN 67.A NE2 LEU 68.A O no hydrogen 3.027 N/A TYR 69.A N VAL 80.A O no hydrogen 2.697 N/A ALA 70.A N VAL 80.A O no hydrogen 3.096 N/A VAL 71.A N TRP 3.A O no hydrogen 2.847 N/A VAL 72.A N TYR 78.A O no hydrogen 2.908 N/A SER 73.A N GLU 4.A OE2 no hydrogen 2.821 N/A SER 73.A OG GLU 4.A OE1 no hydrogen 2.458 N/A SER 73.A OG GLU 4.A OE2 no hydrogen 3.342 N/A TYR 78.A N VAL 72.A O no hydrogen 2.990 N/A ILE 79.A N LYS 38.A O no hydrogen 2.857 N/A VAL 80.A N ALA 70.A O no hydrogen 2.903 N/A THR 81.A N ALA 36.A O no hydrogen 2.958 N/A THR 81.A OG1 GLU 82.A O no hydrogen 3.172 N/A GLU 82.A N GLN 67.A O no hydrogen 3.016 N/A SER 85.A OG GLU 139.A OE2 no hydrogen 2.371 N/A LYS 86.A N VAL 137.A O no hydrogen 2.847 N/A GLY 87.A N MET 84.A O no hydrogen 3.119 N/A LEU 89.A N ILE 135.A O no hydrogen 2.717 N/A ASP 91.A N SER 88.A OG no hydrogen 3.061 N/A PHE 92.A N SER 88.A O no hydrogen 2.958 N/A LEU 93.A N LEU 89.A O no hydrogen 2.785 N/A LYS 94.A N LEU 90.A O no hydrogen 3.131 N/A GLY 95.A N ASP 91.A O no hydrogen 2.867 N/A GLY 98.A N GLY 95.A O no hydrogen 3.008 N/A TYR 100.A N MET 97.A O no hydrogen 3.027 N/A LEU 101.A N GLY 98.A O no hydrogen 3.166 N/A ARG 102.A N GLN 105.A OE1 no hydrogen 2.908 N/A ARG 102.A NH2 LYS 99.A O no hydrogen 2.725 N/A LEU 103.A N LEU 258.A OXT no hydrogen 3.015 N/A LEU 106.A N ARG 102.A O no hydrogen 3.121 N/A VAL 107.A N LEU 103.A O no hydrogen 2.783 N/A ASP 108.A N PRO 104.A O no hydrogen 3.152 N/A MET 109.A N GLN 105.A O no hydrogen 2.912 N/A ALA 110.A N LEU 106.A O no hydrogen 2.940 N/A ALA 111.A N VAL 107.A O no hydrogen 2.817 N/A GLN 112.A N ASP 108.A O no hydrogen 3.075 N/A GLN 112.A NE2 ASP 108.A OD2 no hydrogen 3.097 N/A GLN 112.A NE2 LEU 141.A O no hydrogen 2.947 N/A ILE 113.A N MET 109.A O no hydrogen 3.090 N/A ALA 114.A N ALA 110.A O no hydrogen 2.887 N/A SER 115.A N ALA 111.A O no hydrogen 2.914 N/A GLY 116.A N GLN 112.A O no hydrogen 2.912 N/A MET 117.A N ILE 113.A O no hydrogen 2.891 N/A ALA 118.A N ALA 114.A O no hydrogen 2.809 N/A TYR 119.A N SER 115.A O no hydrogen 3.201 N/A VAL 120.A N GLY 116.A O no hydrogen 3.213 N/A GLU 121.A N MET 117.A O no hydrogen 2.727 N/A ARG 122.A N ALA 118.A O no hydrogen 2.875 N/A MET 123.A N TYR 119.A O no hydrogen 2.988 N/A ASN 124.A N GLU 121.A O no hydrogen 3.069 N/A TYR 125.A N VAL 120.A O no hydrogen 3.043 N/A HIS 127.A N ASP 169.A OD2 no hydrogen 2.741 N/A HIS 127.A NE2 ALA 146.A O no hydrogen 2.894 N/A ARG 128.A N ASP 169.A OD1 no hydrogen 2.953 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.036 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 2.821 N/A ARG 131.A NH2 ASP 129.A OD2 no hydrogen 3.168 N/A ALA 132.A N GLU 179.A OE2 no hydrogen 2.842 N/A ASN 134.A N ARG 131.A O no hydrogen 2.827 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.770 N/A ILE 135.A N ALA 132.A O no hydrogen 3.035 N/A LEU 136.A N LYS 144.A O no hydrogen 2.963 N/A VAL 137.A N GLY 87.A O no hydrogen 2.871 N/A GLY 138.A N VAL 142.A O no hydrogen 2.806 N/A VAL 142.A N GLU 139.A O no hydrogen 3.179 N/A CYS 143.A N GLN 112.A OE1 no hydrogen 2.819 N/A CYS 143.A SG LEU 141.A O no hydrogen 3.838 N/A LYS 144.A N LEU 136.A O no hydrogen 2.882 N/A LYS 144.A NZ GLU 63.A O no hydrogen 3.015 N/A LYS 144.A NZ GLU 82.A OE1 no hydrogen 3.307 N/A LYS 144.A NZ GLU 82.A OE2 no hydrogen 2.882 N/A VAL 145.A N LYS 64.A O no hydrogen 2.792 N/A ALA 146.A N ASN 134.A O no hydrogen 3.076 N/A GLY 149.A N HIS 127.A O no hydrogen 3.062 N/A LYS 152.A NZ PRO 187.A O no hydrogen 3.145 N/A LYS 152.A NZ TYR 188.A O no hydrogen 3.244 N/A LYS 152.A NZ MET 191.A O no hydrogen 2.622 N/A TRP 153.A N PRO 150.A O no hydrogen 2.953 N/A TRP 153.A NE1 GLU 179.A OE2 no hydrogen 2.910 N/A THR 154.A N ILE 151.A O no hydrogen 3.024 N/A THR 154.A OG1 PRO 150.A O no hydrogen 2.855 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.744 N/A ALA 158.A N ALA 155.A O no hydrogen 2.921 N/A ALA 159.A N ALA 155.A O no hydrogen 2.932 N/A LEU 160.A N PRO 156.A O no hydrogen 2.883 N/A TYR 161.A N GLU 157.A O no hydrogen 3.048 N/A GLY 162.A N ALA 158.A O no hydrogen 2.962 N/A ARG 163.A N GLU 157.A O no hydrogen 3.153 N/A PHE 164.A N GLY 162.A O no hydrogen 3.010 N/A THR 165.A N SER 168.A OG no hydrogen 2.741 N/A LYS 167.A N THR 165.A OG1 no hydrogen 3.169 N/A LYS 167.A NZ ARG 231.A O no hydrogen 2.822 N/A SER 168.A N THR 165.A O no hydrogen 2.996 N/A SER 168.A OG THR 165.A O no hydrogen 2.702 N/A ASP 169.A N THR 165.A O no hydrogen 3.156 N/A VAL 170.A N ILE 166.A O no hydrogen 2.944 N/A TRP 171.A N LYS 167.A O no hydrogen 3.125 N/A SER 172.A N SER 168.A O no hydrogen 3.116 N/A SER 172.A OG TRP 153.A O no hydrogen 2.757 N/A SER 172.A OG SER 168.A O no hydrogen 3.181 N/A PHE 173.A N ASP 169.A O no hydrogen 2.785 N/A GLY 174.A N VAL 170.A O no hydrogen 3.090 N/A ILE 175.A N TRP 171.A O no hydrogen 3.180 N/A LEU 176.A N SER 172.A O no hydrogen 2.814 N/A LEU 177.A N PHE 173.A O no hydrogen 2.881 N/A THR 178.A N ILE 175.A O no hydrogen 2.997 N/A THR 178.A OG1 ILE 175.A O no hydrogen 2.761 N/A GLU 179.A N ILE 175.A O no hydrogen 3.268 N/A LEU 180.A N LEU 176.A O no hydrogen 3.057 N/A THR 181.A N LEU 177.A O no hydrogen 3.147 N/A THR 181.A OG1 LEU 177.A O no hydrogen 3.143 N/A THR 181.A OG1 THR 178.A O no hydrogen 3.333 N/A THR 182.A N THR 178.A O no hydrogen 2.919 N/A THR 182.A OG1 THR 178.A O no hydrogen 2.831 N/A THR 182.A OG1 GLU 179.A O no hydrogen 3.430 N/A LYS 183.A N LEU 180.A O no hydrogen 3.236 N/A LYS 183.A NZ GLY 98.A O no hydrogen 3.141 N/A LYS 183.A NZ LEU 101.A O no hydrogen 3.062 N/A LYS 183.A NZ ASN 257.A O no hydrogen 3.030 N/A GLY 184.A N GLU 179.A O no hydrogen 2.564 N/A ARG 185.A N THR 182.A OG1 no hydrogen 3.166 N/A MET 191.A N TYR 188.A O no hydrogen 2.949 N/A VAL 192.A N GLU 195.A OE1 no hydrogen 3.038 N/A GLU 195.A N VAL 192.A O no hydrogen 3.103 N/A VAL 196.A N VAL 192.A O no hydrogen 3.260 N/A LEU 197.A N ASN 193.A O no hydrogen 3.447 N/A GLN 199.A N GLU 195.A O no hydrogen 2.815 N/A VAL 200.A N VAL 196.A O no hydrogen 2.854 N/A GLU 201.A N LEU 197.A O no hydrogen 3.087 N/A ARG 202.A N ASP 198.A O no hydrogen 3.275 N/A GLY 203.A N VAL 200.A O no hydrogen 2.986 N/A TYR 204.A N GLN 199.A O no hydrogen 2.892 N/A ARG 205.A NE TRP 224.A O no hydrogen 2.821 N/A ARG 205.A NH1 VAL 200.A O no hydrogen 3.043 N/A ARG 205.A NH1 TYR 204.A O no hydrogen 2.779 N/A ARG 205.A NH2 TRP 224.A O no hydrogen 2.926 N/A CYS 208.A SG PRO 209.A O no hydrogen 3.746 N/A CYS 208.A SG CYS 212.A O no hydrogen 3.016 N/A CYS 212.A N PRO 209.A O no hydrogen 3.048 N/A CYS 212.A SG PRO 213.A O no hydrogen 3.536 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.597 N/A SER 215.A OG TYR 244.A OH no hydrogen 2.812 N/A SER 215.A OG GLU 249.A OE1 no hydrogen 2.862 N/A LEU 216.A N PRO 213.A O no hydrogen 3.049 N/A HIS 217.A N PRO 213.A O no hydrogen 3.258 N/A HIS 217.A NE2 MET 206.A O no hydrogen 2.868 N/A ASP 218.A N GLU 214.A O no hydrogen 2.760 N/A LEU 219.A N SER 215.A O no hydrogen 3.344 N/A MET 220.A N LEU 216.A O no hydrogen 3.166 N/A CYS 221.A N HIS 217.A O no hydrogen 2.963 N/A CYS 221.A SG HIS 217.A O no hydrogen 3.332 N/A GLN 222.A N ASP 218.A O no hydrogen 2.947 N/A CYS 223.A N LEU 219.A O no hydrogen 3.106 N/A CYS 223.A SG LEU 219.A O no hydrogen 3.447 N/A TRP 224.A N CYS 221.A O no hydrogen 3.112 N/A ARG 225.A N GLN 222.A O no hydrogen 3.453 N/A ARG 225.A NH1 GLU 230.A O no hydrogen 2.873 N/A GLU 229.A N ASP 227.A OD1 no hydrogen 3.063 N/A GLU 230.A N ASP 227.A O no hydrogen 2.968 N/A ARG 231.A N PRO 228.A O no hydrogen 3.142 N/A ARG 231.A NE ARG 225.A O no hydrogen 2.701 N/A ARG 231.A NH1 GLU 157.A OE1 no hydrogen 2.964 N/A ARG 231.A NH1 GLU 157.A OE2 no hydrogen 3.421 N/A ARG 231.A NH1 ARG 225.A O no hydrogen 3.079 N/A ARG 231.A NH2 GLU 157.A OE2 no hydrogen 2.807 N/A ARG 231.A NH2 LYS 167.A O no hydrogen 3.014 N/A PHE 234.A N GLU 121.A OE2 no hydrogen 2.862 N/A GLU 235.A N GLU 121.A OE1 no hydrogen 3.272 N/A TYR 236.A N THR 233.A OG1 no hydrogen 2.950 N/A LEU 237.A N THR 233.A O no hydrogen 2.953 N/A GLN 238.A N PHE 234.A O no hydrogen 2.759 N/A GLN 238.A NE2 GLU 242.A OE2 no hydrogen 2.761 N/A ALA 239.A N GLU 235.A O no hydrogen 3.305 N/A PHE 240.A N TYR 236.A O no hydrogen 2.936 N/A LEU 241.A N LEU 237.A O no hydrogen 3.080 N/A GLU 242.A N GLN 238.A O no hydrogen 2.974 N/A ASP 243.A N ALA 239.A O no hydrogen 3.087 N/A TYR 244.A N LEU 241.A O no hydrogen 3.276 N/A TYR 244.A OH SER 215.A OG no hydrogen 2.812 N/A THR 246.A N ASP 243.A O no hydrogen 3.113 N/A SER 247.A N ASP 243.A O no hydrogen 2.916 N/A THR 248.A N TYR 244.A O no hydrogen 3.029 N/A GLU 249.A N TYR 244.A O no hydrogen 2.817 N/A TYR 252.A N GLU 249.A O no hydrogen 3.226 N/A TYR 252.A OH LEU 258.A OXT no hydrogen 2.452 N/A GLY 255.A N LEU 258.A O no hydrogen 2.640 N/A ASN 257.A N GLU 211.A OE2 no hydrogen 2.889 N/A ASN 257.A ND2 GLU 211.A OE1 no hydrogen 3.296 N/A LEU 258.A N GLU 211.A OE2 no hydrogen 3.054 N/A