Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u3j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 TYR 136.A O no hydrogen 2.707 N/A ARG 2.A NH1 HIS 142.A O no hydrogen 3.114 N/A ARG 2.A NH2 TYR 136.A O no hydrogen 3.345 N/A ARG 2.A NH2 HIS 137.A O no hydrogen 2.890 N/A GLU 6.A N LEU 13.A O no hydrogen 2.859 N/A VAL 8.A N VAL 11.A O no hydrogen 2.878 N/A VAL 11.A N VAL 8.A O no hydrogen 3.033 N/A LEU 13.A N GLU 6.A O no hydrogen 2.767 N/A ALA 18.A N ILE 14.A O no hydrogen 2.938 N/A GLU 19.A N LYS 15.A O no hydrogen 3.226 N/A ALA 20.A N TYR 16.A O no hydrogen 2.691 N/A LEU 21.A N PHE 17.A O no hydrogen 3.084 N/A GLY 22.A N GLU 19.A O no hydrogen 3.077 N/A LEU 24.A N ALA 20.A O no hydrogen 3.346 N/A GLN 25.A N GLY 22.A O no hydrogen 3.019 N/A GLN 25.A NE2 LEU 21.A O no hydrogen 3.618 N/A SER 26.A N PRO 23.A O no hydrogen 3.065 N/A PHE 27.A N LEU 24.A O no hydrogen 3.156 N/A ALA 29.A N THR 110.A OG1 no hydrogen 3.105 N/A ARG 30.A N ASP 33.A OD2 no hydrogen 2.881 N/A LEU 34.A N ARG 96.A O no hydrogen 3.062 N/A LEU 35.A N LYS 117.A O no hydrogen 2.597 N/A ILE 36.A N LEU 98.A O no hydrogen 2.624 N/A SER 37.A N VAL 119.A O no hydrogen 3.100 N/A THR 38.A N THR 100.A O no hydrogen 3.403 N/A THR 38.A OG1 THR 44.A OG1 no hydrogen 2.584 N/A THR 38.A OG1 HIS 101.A ND1 no hydrogen 3.281 N/A TYR 39.A OH GLY 163.A O no hydrogen 2.862 N/A SER 42.A OG TYR 39.A O no hydrogen 2.730 N/A THR 44.A OG1 THR 38.A OG1 no hydrogen 2.584 N/A VAL 47.A N GLY 43.A O no hydrogen 3.003 N/A SER 48.A N THR 44.A O no hydrogen 2.910 N/A SER 48.A OG THR 44.A O no hydrogen 2.703 N/A GLN 49.A N THR 45.A O no hydrogen 2.897 N/A ILE 50.A N TRP 46.A O no hydrogen 2.906 N/A LEU 51.A N VAL 47.A O no hydrogen 2.755 N/A ASP 52.A N SER 48.A O no hydrogen 2.883 N/A MET 53.A N GLN 49.A O no hydrogen 3.141 N/A ILE 54.A N ILE 50.A O no hydrogen 3.092 N/A TYR 55.A N LEU 51.A O no hydrogen 2.990 N/A GLN 56.A N ASP 52.A O no hydrogen 2.824 N/A GLN 56.A N MET 53.A O no hydrogen 3.013 N/A GLN 56.A NE2 ASP 52.A OD2 no hydrogen 3.501 N/A GLY 57.A N ILE 54.A O no hydrogen 3.101 N/A GLY 58.A N MET 53.A O no hydrogen 3.010 N/A LYS 62.A N ASP 59.A O no hydrogen 3.107 N/A CYS 63.A N ASP 59.A O no hydrogen 3.220 N/A CYS 63.A SG ASP 52.A OD1 no hydrogen 3.593 N/A CYS 63.A SG ASP 59.A O no hydrogen 3.691 N/A HIS 64.A N GLU 61.A O no hydrogen 3.357 N/A ARG 65.A N LYS 62.A O no hydrogen 3.077 N/A ARG 65.A NH1 ASP 52.A OD1 no hydrogen 3.260 N/A ARG 65.A NH1 LYS 62.A O no hydrogen 3.144 N/A ARG 65.A NH2 ASP 52.A OD2 no hydrogen 3.003 N/A ILE 68.A N MET 230.A O no hydrogen 2.809 N/A MET 70.A N PRO 67.A O no hydrogen 2.895 N/A ARG 71.A N PRO 67.A O no hydrogen 3.364 N/A ARG 71.A NE ALA 66.A O no hydrogen 2.715 N/A ARG 71.A NH1 GLN 49.A OE1 no hydrogen 2.822 N/A ARG 71.A NH1 ASP 52.A OD1 no hydrogen 3.157 N/A ARG 71.A NH2 GLN 49.A OE1 no hydrogen 3.305 N/A ARG 71.A NH2 MET 230.A O no hydrogen 2.895 N/A VAL 72.A N ILE 68.A O no hydrogen 3.032 N/A LEU 75.A N LYS 99.A O no hydrogen 2.872 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.823 N/A PHE 77.A N PHE 74.A O no hydrogen 2.866 N/A SER 84.A N GLU 87.A OE1 no hydrogen 2.505 N/A GLY 85.A N PHE 77.A O no hydrogen 2.927 N/A GLU 87.A N SER 84.A OG no hydrogen 2.969 N/A THR 88.A N SER 84.A O no hydrogen 2.985 N/A LEU 89.A N GLY 85.A O no hydrogen 2.885 N/A ASP 91.A N THR 88.A O no hydrogen 3.164 N/A THR 92.A N LEU 89.A O no hydrogen 3.144 N/A THR 92.A OG1 THR 88.A O no hydrogen 3.165 N/A ARG 96.A NE ASP 33.A OD1 no hydrogen 2.563 N/A ARG 96.A NE ASP 33.A OD2 no hydrogen 3.395 N/A ARG 96.A NH2 GLN 28.A O no hydrogen 3.265 N/A ARG 96.A NH2 ASP 33.A OD2 no hydrogen 2.739 N/A LEU 98.A N LEU 34.A O no hydrogen 3.032 N/A LYS 99.A N PRO 73.A O no hydrogen 2.829 N/A THR 100.A N ILE 36.A O no hydrogen 2.990 N/A HIS 101.A N GLU 76.A OE2 no hydrogen 2.789 N/A HIS 101.A ND1 THR 38.A O no hydrogen 2.506 N/A LEU 104.A N GLU 171.A OE1 no hydrogen 2.879 N/A LEU 106.A N PRO 103.A O no hydrogen 2.801 N/A LEU 107.A N LEU 104.A O no hydrogen 3.119 N/A GLN 109.A NE2 ASP 113.A OD1 no hydrogen 3.237 N/A LEU 111.A N PRO 108.A O no hydrogen 3.141 N/A LEU 112.A N GLN 109.A O no hydrogen 3.084 N/A ASP 113.A N GLN 109.A O no hydrogen 3.012 N/A GLN 114.A N THR 110.A O no hydrogen 2.988 N/A GLN 114.A NE2 ALA 29.A O no hydrogen 2.832 N/A LYS 115.A N LEU 112.A O no hydrogen 3.018 N/A LYS 115.A NZ THR 178.A O no hydrogen 2.922 N/A VAL 116.A N LEU 111.A O no hydrogen 3.198 N/A VAL 118.A N PRO 180.A O no hydrogen 3.021 N/A VAL 119.A N LEU 35.A O no hydrogen 2.672 N/A TYR 120.A N LEU 182.A O no hydrogen 2.868 N/A TYR 120.A OH HIS 168.A ND1 no hydrogen 2.764 N/A VAL 121.A N SER 37.A O no hydrogen 3.447 N/A ALA 122.A N LEU 184.A O no hydrogen 2.740 N/A ARG 123.A NH1 LYS 41.A O no hydrogen 2.966 N/A ARG 123.A NH2 MET 253.A O no hydrogen 3.273 N/A ASN 124.A N GLU 187.A OE2 no hydrogen 2.765 N/A ASN 124.A ND2 ASP 127.A OD2 no hydrogen 2.775 N/A ASN 124.A ND2 GLU 187.A OE2 no hydrogen 2.927 N/A ASN 124.A ND2 ARG 285.A O no hydrogen 3.525 N/A LYS 126.A NZ ASN 266.A OD1 no hydrogen 2.705 N/A LYS 126.A NZ ASP 270.A OD1 no hydrogen 3.208 N/A ASP 127.A N ASN 124.A OD1 no hydrogen 3.085 N/A VAL 128.A N ASN 124.A O no hydrogen 3.164 N/A ALA 129.A N ALA 125.A O no hydrogen 2.897 N/A VAL 130.A N LYS 126.A O no hydrogen 3.024 N/A SER 131.A N ASP 127.A O no hydrogen 2.922 N/A TYR 132.A N VAL 128.A O no hydrogen 2.585 N/A TYR 132.A OH SER 161.A O no hydrogen 2.798 N/A TYR 133.A N ALA 129.A O no hydrogen 2.893 N/A TYR 133.A OH GLY 146.A O no hydrogen 2.939 N/A HIS 134.A N VAL 130.A O no hydrogen 3.310 N/A HIS 134.A ND1 VAL 130.A O no hydrogen 3.242 N/A PHE 135.A N SER 131.A O no hydrogen 3.043 N/A TYR 136.A N TYR 132.A O no hydrogen 2.778 N/A HIS 137.A N TYR 133.A O no hydrogen 3.296 N/A HIS 137.A N HIS 134.A O no hydrogen 2.988 N/A HIS 137.A ND1 TYR 133.A O no hydrogen 3.257 N/A MET 138.A N HIS 134.A O no hydrogen 3.149 N/A ALA 139.A N PHE 135.A O no hydrogen 2.812 N/A LYS 140.A N PHE 240.A O no hydrogen 3.342 N/A HIS 142.A N ALA 139.A O no hydrogen 3.219 N/A HIS 142.A ND1 ALA 139.A O no hydrogen 2.807 N/A TRP 148.A NE1 GLN 265.A OE1 no hydrogen 2.838 N/A SER 150.A N THR 147.A OG1 no hydrogen 3.001 N/A SER 150.A OG THR 147.A O no hydrogen 3.156 N/A PHE 151.A N THR 147.A O no hydrogen 2.795 N/A LEU 152.A N TRP 148.A O no hydrogen 2.745 N/A GLU 153.A N ASP 149.A O no hydrogen 3.186 N/A LYS 154.A N SER 150.A O no hydrogen 3.197 N/A PHE 155.A N PHE 151.A O no hydrogen 2.998 N/A MET 156.A N LEU 152.A O no hydrogen 3.104 N/A VAL 157.A N GLU 153.A O no hydrogen 3.270 N/A VAL 157.A N LYS 154.A O no hydrogen 3.003 N/A GLY 158.A N PHE 155.A O no hydrogen 3.130 N/A GLU 159.A N LYS 154.A O no hydrogen 2.902 N/A SER 161.A N TYR 136.A OH no hydrogen 2.984 N/A TYR 162.A N PRO 12.A O no hydrogen 2.878 N/A TYR 162.A OH GLU 76.A OE2 no hydrogen 2.697 N/A GLY 163.A N VAL 160.A O no hydrogen 2.693 N/A GLN 167.A N SER 164.A O no hydrogen 3.267 N/A GLN 167.A N SER 164.A OG no hydrogen 3.139 N/A HIS 168.A N SER 164.A O no hydrogen 3.144 N/A HIS 168.A ND1 TYR 120.A OH no hydrogen 2.764 N/A HIS 168.A NE2 HIS 101.A O no hydrogen 2.845 N/A VAL 169.A N TRP 165.A O no hydrogen 3.080 N/A GLN 170.A NE2 TYR 166.A O no hydrogen 2.936 N/A GLN 170.A NE2 LYS 276.A O no hydrogen 3.616 N/A GLU 171.A N GLN 167.A O no hydrogen 2.938 N/A TRP 172.A N HIS 168.A O no hydrogen 3.387 N/A TRP 173.A N VAL 169.A O no hydrogen 3.293 N/A GLU 174.A N GLN 170.A O no hydrogen 3.057 N/A LEU 175.A N GLU 171.A O no hydrogen 2.862 N/A SER 176.A N TRP 172.A O no hydrogen 3.389 N/A SER 176.A OG TRP 173.A O no hydrogen 2.694 N/A ARG 177.A N GLU 174.A O no hydrogen 3.080 N/A THR 178.A N LEU 175.A O no hydrogen 2.713 N/A THR 178.A OG1 LEU 175.A O no hydrogen 3.164 N/A HIS 179.A NE2 VAL 116.A O no hydrogen 2.856 N/A LEU 182.A N VAL 118.A O no hydrogen 3.059 N/A TYR 183.A OH VAL 169.A O no hydrogen 2.936 N/A LEU 184.A N TYR 120.A O no hydrogen 2.537 N/A TYR 186.A N ALA 122.A O no hydrogen 2.792 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.851 N/A ASP 188.A N PHE 185.A O no hydrogen 2.728 N/A MET 189.A N PHE 185.A O no hydrogen 3.058 N/A LYS 190.A N TYR 186.A O no hydrogen 2.943 N/A LYS 190.A NZ GLY 252.A O no hydrogen 2.615 N/A GLU 191.A N GLU 187.A O no hydrogen 2.960 N/A ASN 192.A N ASP 188.A O no hydrogen 3.112 N/A LYS 194.A NZ GLU 210.A OE2 no hydrogen 3.334 N/A LYS 194.A NZ ASP 214.A OD1 no hydrogen 3.272 N/A ARG 195.A N ASN 192.A OD1 no hydrogen 3.276 N/A ARG 195.A NH2 ASP 188.A O no hydrogen 3.538 N/A GLU 196.A N ASN 192.A O no hydrogen 3.307 N/A ILE 197.A N PRO 193.A O no hydrogen 2.794 N/A GLN 198.A N LYS 194.A O no hydrogen 3.053 N/A LYS 199.A N ARG 195.A O no hydrogen 3.224 N/A ILE 200.A N GLU 196.A O no hydrogen 3.302 N/A LEU 201.A N ILE 197.A O no hydrogen 3.093 N/A GLU 202.A N GLN 198.A O no hydrogen 3.077 N/A PHE 203.A N LYS 199.A O no hydrogen 3.117 N/A VAL 204.A N ILE 200.A O no hydrogen 2.866 N/A GLY 205.A N LEU 201.A O no hydrogen 2.667 N/A HIS 206.A N LEU 201.A O no hydrogen 3.157 N/A VAL 213.A N PRO 209.A O no hydrogen 2.881 N/A ASP 214.A N GLU 210.A O no hydrogen 2.722 N/A PHE 215.A N GLU 211.A O no hydrogen 3.047 N/A MET 216.A N THR 212.A O no hydrogen 3.125 N/A VAL 217.A N VAL 213.A O no hydrogen 3.013 N/A GLN 218.A N ASP 214.A O no hydrogen 3.337 N/A GLN 218.A N PHE 215.A O no hydrogen 3.007 N/A GLN 218.A NE2 ASP 214.A O no hydrogen 3.691 N/A HIS 219.A N PHE 215.A O no hydrogen 3.054 N/A THR 220.A OG1 MET 216.A O no hydrogen 2.757 N/A SER 221.A N GLN 218.A O no hydrogen 3.282 N/A SER 221.A OG GLN 218.A O no hydrogen 3.297 N/A GLU 224.A N SER 221.A OG no hydrogen 3.220 N/A MET 225.A N SER 221.A O no hydrogen 2.934 N/A LYS 226.A N PHE 222.A O no hydrogen 2.793 N/A LYS 226.A NZ MET 249.A O no hydrogen 3.265 N/A LYS 227.A N LYS 223.A O no hydrogen 3.403 N/A MET 230.A N ASN 228.A OD1 no hydrogen 2.981 N/A THR 231.A N ASN 228.A O no hydrogen 2.801 N/A THR 231.A OG1 MET 225.A O no hydrogen 2.751 N/A THR 231.A OG1 ASN 228.A O no hydrogen 2.978 N/A ASN 232.A N ASN 228.A O no hydrogen 3.041 N/A ASN 232.A ND2 LYS 226.A O no hydrogen 2.437 N/A THR 234.A N ASN 232.A OD1 no hydrogen 3.280 N/A THR 234.A OG1 ASN 232.A OD1 no hydrogen 2.673 N/A VAL 236.A N TYR 233.A O no hydrogen 3.419 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.765 N/A PHE 240.A N PRO 237.A O no hydrogen 3.199 N/A MET 241.A N PRO 237.A O no hydrogen 2.954 N/A ASP 242.A N MET 138.A O no hydrogen 2.879 N/A HIS 243.A NE2 TYR 233.A O no hydrogen 2.975 N/A SER 244.A OG ASP 242.A OD1 no hydrogen 2.712 N/A SER 246.A N ASP 242.A O no hydrogen 3.346 N/A PHE 248.A N HIS 243.A ND1 no hydrogen 3.399 N/A ARG 250.A NH1 ASP 256.A OD2 no hydrogen 3.270 N/A ARG 250.A NH2 ASP 256.A OD2 no hydrogen 3.563 N/A LYS 251.A NZ ASP 256.A OD1 no hydrogen 3.089 N/A GLY 255.A N ASP 127.A OD2 no hydrogen 2.883 N/A TRP 257.A N ASP 127.A OD1 no hydrogen 2.923 N/A TRP 257.A NE1 SER 286.A O no hydrogen 3.203 N/A LYS 258.A N GLY 255.A O no hydrogen 3.454 N/A THR 259.A N ASP 256.A O no hydrogen 3.032 N/A THR 259.A OG1 ASP 256.A O no hydrogen 2.716 N/A THR 260.A N TRP 257.A O no hydrogen 2.902 N/A PHE 261.A N TRP 257.A O no hydrogen 2.953 N/A THR 262.A N GLN 265.A OE1 no hydrogen 3.155 N/A GLN 265.A NE2 ASP 149.A OD2 no hydrogen 2.696 N/A ASN 266.A N THR 262.A O no hydrogen 2.998 N/A GLU 267.A N VAL 263.A O no hydrogen 3.116 N/A ARG 268.A N ALA 264.A O no hydrogen 3.193 N/A ARG 268.A NE GLU 153.A OE2 no hydrogen 3.089 N/A ARG 268.A NH2 GLU 153.A OE1 no hydrogen 2.738 N/A PHE 269.A N GLN 265.A O no hydrogen 2.978 N/A ASP 270.A N ASN 266.A O no hydrogen 2.884 N/A ALA 271.A N GLU 267.A O no hydrogen 3.212 N/A ASP 272.A N ARG 268.A O no hydrogen 2.999 N/A TYR 273.A N PHE 269.A O no hydrogen 2.683 N/A ALA 274.A N ASP 270.A O no hydrogen 2.969 N/A GLU 275.A N ALA 271.A O no hydrogen 3.303 N/A LYS 276.A N ASP 272.A O no hydrogen 3.113 N/A LYS 276.A NZ MET 156.A O no hydrogen 2.324 N/A LYS 276.A NZ ASP 272.A OD2 no hydrogen 2.846 N/A MET 277.A N TYR 273.A O no hydrogen 2.823 N/A ARG 285.A NH1 GLU 191.A OE1 no hydrogen 3.449 N/A ARG 285.A NH2 GLU 191.A OE2 no hydrogen 2.980 N/A