Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 TYR 137.A O no hydrogen 2.753 N/A ARG 3.A NH1 HIS 143.A O no hydrogen 2.863 N/A ARG 3.A NH2 TYR 137.A O no hydrogen 3.413 N/A ARG 3.A NH2 HIS 138.A O no hydrogen 2.832 N/A GLU 7.A N LEU 14.A O no hydrogen 2.628 N/A VAL 9.A N VAL 12.A O no hydrogen 2.745 N/A VAL 12.A N VAL 9.A O no hydrogen 3.013 N/A LEU 14.A N GLU 7.A O no hydrogen 2.699 N/A PHE 18.A N ILE 15.A O no hydrogen 2.854 N/A ALA 19.A N ILE 15.A O no hydrogen 3.055 N/A GLU 20.A N LYS 16.A O no hydrogen 2.981 N/A ALA 21.A N TYR 17.A O no hydrogen 3.020 N/A LEU 22.A N ALA 19.A O no hydrogen 3.066 N/A GLY 23.A N GLU 20.A O no hydrogen 3.133 N/A LEU 25.A N ALA 21.A O no hydrogen 3.315 N/A GLN 26.A N GLY 23.A O no hydrogen 2.840 N/A SER 27.A N PRO 24.A O no hydrogen 3.018 N/A PHE 28.A N LEU 25.A O no hydrogen 3.281 N/A ALA 30.A N THR 111.A OG1 no hydrogen 2.946 N/A ARG 31.A N ASP 34.A OD2 no hydrogen 2.777 N/A ARG 31.A NE ASP 33.A OD1 no hydrogen 2.596 N/A ARG 31.A NE ASP 33.A OD2 no hydrogen 3.467 N/A ARG 31.A NH2 ASP 33.A OD1 no hydrogen 3.401 N/A ARG 31.A NH2 ASP 33.A OD2 no hydrogen 2.901 N/A ASP 34.A N ARG 31.A O no hydrogen 3.400 N/A LEU 35.A N ARG 97.A O no hydrogen 2.982 N/A LEU 36.A N LYS 118.A O no hydrogen 2.842 N/A ILE 37.A N LEU 99.A O no hydrogen 2.676 N/A SER 38.A N VAL 120.A O no hydrogen 2.867 N/A THR 39.A N THR 101.A O no hydrogen 3.153 N/A THR 39.A OG1 TYR 40.A O no hydrogen 3.328 N/A THR 39.A OG1 THR 45.A OG1 no hydrogen 2.611 N/A THR 39.A OG1 HIS 102.A ND1 no hydrogen 2.878 N/A TYR 40.A OH GLY 164.A O no hydrogen 2.689 N/A SER 43.A OG TYR 40.A O no hydrogen 2.627 N/A SER 43.A OG PRO 41.A O no hydrogen 3.443 N/A THR 45.A OG1 THR 39.A OG1 no hydrogen 2.611 N/A VAL 48.A N GLY 44.A O no hydrogen 3.067 N/A SER 49.A N THR 45.A O no hydrogen 3.059 N/A SER 49.A OG THR 45.A O no hydrogen 2.693 N/A GLN 50.A N THR 46.A O no hydrogen 2.988 N/A ILE 51.A N TRP 47.A O no hydrogen 3.033 N/A LEU 52.A N VAL 48.A O no hydrogen 2.636 N/A ASP 53.A N SER 49.A O no hydrogen 2.853 N/A MET 54.A N GLN 50.A O no hydrogen 3.127 N/A ILE 55.A N ILE 51.A O no hydrogen 3.067 N/A TYR 56.A N LEU 52.A O no hydrogen 2.986 N/A GLN 57.A N ASP 53.A O no hydrogen 2.743 N/A GLN 57.A N MET 54.A O no hydrogen 3.283 N/A GLY 58.A N ILE 55.A O no hydrogen 3.114 N/A GLY 59.A N MET 54.A O no hydrogen 2.805 N/A ASP 60.A N GLN 57.A O no hydrogen 3.010 N/A GLU 62.A N ASP 60.A OD2 no hydrogen 2.965 N/A LYS 63.A N ASP 60.A O no hydrogen 3.075 N/A LYS 63.A N ASP 60.A OD2 no hydrogen 3.123 N/A CYS 64.A N ASP 60.A O no hydrogen 3.272 N/A CYS 64.A SG ASP 53.A OD1 no hydrogen 3.582 N/A CYS 64.A SG ASP 60.A O no hydrogen 3.829 N/A HIS 65.A N GLU 62.A O no hydrogen 3.350 N/A ARG 66.A N LYS 63.A O no hydrogen 2.677 N/A ARG 66.A NH1 ASP 53.A OD1 no hydrogen 3.107 N/A ARG 66.A NH1 LYS 63.A O no hydrogen 3.107 N/A ARG 66.A NH2 ASP 53.A OD2 no hydrogen 3.120 N/A MET 71.A N PRO 68.A O no hydrogen 2.975 N/A ARG 72.A N PRO 68.A O no hydrogen 3.135 N/A ARG 72.A NE ALA 67.A O no hydrogen 2.863 N/A ARG 72.A NH1 GLN 50.A OE1 no hydrogen 2.761 N/A ARG 72.A NH1 ASP 53.A OD1 no hydrogen 2.628 N/A ARG 72.A NH2 GLN 50.A OE1 no hydrogen 2.872 N/A ARG 72.A NH2 MET 231.A O no hydrogen 2.870 N/A VAL 73.A N ILE 69.A O no hydrogen 3.046 N/A LEU 76.A N LYS 100.A O no hydrogen 2.964 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.769 N/A PHE 78.A N PHE 75.A O no hydrogen 3.020 N/A ILE 83.A N ALA 80.A O no hydrogen 3.301 N/A SER 85.A N GLU 88.A OE1 no hydrogen 3.305 N/A GLY 86.A N PHE 78.A O no hydrogen 3.002 N/A GLU 88.A N SER 85.A OG no hydrogen 3.158 N/A THR 89.A N SER 85.A O no hydrogen 3.002 N/A THR 89.A OG1 SER 85.A O no hydrogen 3.223 N/A LEU 90.A N GLY 86.A O no hydrogen 2.972 N/A LYS 91.A N GLU 88.A O no hydrogen 3.127 N/A ASP 92.A N THR 89.A O no hydrogen 2.986 N/A THR 93.A N LEU 90.A O no hydrogen 3.253 N/A THR 93.A OG1 THR 89.A O no hydrogen 2.759 N/A ARG 97.A NE ASP 34.A OD1 no hydrogen 2.764 N/A ARG 97.A NH2 GLN 29.A O no hydrogen 3.196 N/A ARG 97.A NH2 ASP 34.A OD1 no hydrogen 3.386 N/A ARG 97.A NH2 ASP 34.A OD2 no hydrogen 2.855 N/A LEU 99.A N LEU 35.A O no hydrogen 2.849 N/A LYS 100.A N PRO 74.A O no hydrogen 2.892 N/A THR 101.A N ILE 37.A O no hydrogen 2.811 N/A THR 101.A OG1 GLU 77.A OE1 no hydrogen 2.657 N/A THR 101.A OG1 GLU 77.A OE2 no hydrogen 3.228 N/A HIS 102.A N GLU 77.A OE2 no hydrogen 2.871 N/A HIS 102.A ND1 THR 39.A O no hydrogen 2.665 N/A LEU 103.A N THR 101.A OG1 no hydrogen 3.069 N/A LEU 105.A N GLU 172.A OE1 no hydrogen 2.902 N/A LEU 107.A N PRO 104.A O no hydrogen 2.747 N/A LEU 108.A N LEU 105.A O no hydrogen 3.293 N/A GLN 110.A NE2 ASP 114.A OD1 no hydrogen 3.251 N/A LEU 112.A N PRO 109.A O no hydrogen 3.019 N/A ASP 114.A N GLN 110.A O no hydrogen 2.956 N/A GLN 115.A N THR 111.A O no hydrogen 3.273 N/A GLN 115.A NE2 ALA 30.A O no hydrogen 2.763 N/A LYS 116.A N LEU 113.A O no hydrogen 3.025 N/A VAL 117.A N LEU 112.A O no hydrogen 3.175 N/A LYS 118.A NZ PHE 204.A O no hydrogen 3.353 N/A VAL 119.A N PRO 181.A O no hydrogen 3.062 N/A VAL 120.A N LEU 36.A O no hydrogen 2.762 N/A TYR 121.A N LEU 183.A O no hydrogen 2.935 N/A TYR 121.A OH HIS 169.A ND1 no hydrogen 2.504 N/A VAL 122.A N SER 38.A O no hydrogen 3.202 N/A ALA 123.A N LEU 185.A O no hydrogen 2.969 N/A ARG 124.A NH1 LYS 42.A O no hydrogen 2.927 N/A ARG 124.A NH2 MET 254.A O no hydrogen 2.996 N/A ASN 125.A N GLU 188.A OE2 no hydrogen 2.953 N/A ASN 125.A ND2 ASP 128.A OD2 no hydrogen 2.831 N/A ASN 125.A ND2 GLU 188.A OE2 no hydrogen 2.646 N/A ASN 125.A ND2 ARG 286.A O no hydrogen 3.689 N/A LYS 127.A NZ ASN 267.A OD1 no hydrogen 2.728 N/A LYS 127.A NZ ASP 271.A OD1 no hydrogen 2.644 N/A ASP 128.A N ASN 125.A OD1 no hydrogen 2.919 N/A VAL 129.A N ASN 125.A O no hydrogen 3.062 N/A ALA 130.A N ALA 126.A O no hydrogen 2.834 N/A VAL 131.A N LYS 127.A O no hydrogen 3.163 N/A SER 132.A N ASP 128.A O no hydrogen 2.972 N/A TYR 133.A N VAL 129.A O no hydrogen 2.708 N/A TYR 133.A OH SER 162.A O no hydrogen 2.535 N/A TYR 134.A N ALA 130.A O no hydrogen 2.828 N/A TYR 134.A OH GLY 147.A O no hydrogen 3.150 N/A HIS 135.A N VAL 131.A O no hydrogen 3.093 N/A PHE 136.A N SER 132.A O no hydrogen 2.779 N/A TYR 137.A N TYR 133.A O no hydrogen 2.873 N/A HIS 138.A N HIS 135.A O no hydrogen 3.052 N/A MET 139.A N HIS 135.A O no hydrogen 3.453 N/A ALA 140.A N PHE 136.A O no hydrogen 2.918 N/A LYS 141.A N PHE 241.A O no hydrogen 3.186 N/A HIS 143.A N ALA 140.A O no hydrogen 3.199 N/A HIS 143.A ND1 ALA 140.A O no hydrogen 2.725 N/A TRP 149.A NE1 GLN 266.A OE1 no hydrogen 2.682 N/A SER 151.A N THR 148.A OG1 no hydrogen 3.077 N/A PHE 152.A N THR 148.A O no hydrogen 2.864 N/A LEU 153.A N TRP 149.A O no hydrogen 2.654 N/A GLU 154.A N ASP 150.A O no hydrogen 3.088 N/A LYS 155.A N SER 151.A O no hydrogen 3.231 N/A PHE 156.A N PHE 152.A O no hydrogen 2.825 N/A MET 157.A N LEU 153.A O no hydrogen 2.953 N/A VAL 158.A N GLU 154.A O no hydrogen 3.314 N/A GLY 159.A N PHE 156.A O no hydrogen 3.096 N/A GLU 160.A N LYS 155.A O no hydrogen 2.803 N/A SER 162.A N TYR 137.A OH no hydrogen 2.938 N/A TYR 163.A N PRO 13.A O no hydrogen 2.858 N/A TYR 163.A OH GLU 77.A OE2 no hydrogen 2.661 N/A GLY 164.A N VAL 161.A O no hydrogen 2.632 N/A TRP 166.A NE1 ARG 124.A O no hydrogen 3.071 N/A GLN 168.A N SER 165.A OG no hydrogen 2.973 N/A HIS 169.A N SER 165.A O no hydrogen 3.161 N/A HIS 169.A ND1 TYR 121.A OH no hydrogen 2.504 N/A HIS 169.A NE2 HIS 102.A O no hydrogen 2.871 N/A VAL 170.A N TRP 166.A O no hydrogen 3.053 N/A GLN 171.A N TYR 167.A O no hydrogen 3.434 N/A GLN 171.A NE2 TYR 167.A O no hydrogen 3.166 N/A GLN 171.A NE2 LYS 277.A O no hydrogen 3.571 N/A GLU 172.A N GLN 168.A O no hydrogen 2.899 N/A TRP 173.A N HIS 169.A O no hydrogen 3.181 N/A TRP 174.A N VAL 170.A O no hydrogen 3.207 N/A TRP 174.A NE1 SER 282.A OG no hydrogen 2.909 N/A GLU 175.A N GLN 171.A O no hydrogen 3.042 N/A LEU 176.A N GLU 172.A O no hydrogen 3.027 N/A SER 177.A OG TRP 174.A O no hydrogen 2.403 N/A ARG 178.A N GLU 175.A O no hydrogen 3.065 N/A THR 179.A N LEU 176.A O no hydrogen 3.014 N/A THR 179.A OG1 LEU 176.A O no hydrogen 3.500 N/A HIS 180.A NE2 VAL 117.A O no hydrogen 2.837 N/A LEU 183.A N VAL 119.A O no hydrogen 3.006 N/A TYR 184.A OH VAL 170.A O no hydrogen 2.575 N/A LEU 185.A N TYR 121.A O no hydrogen 2.712 N/A TYR 187.A N ALA 123.A O no hydrogen 2.877 N/A MET 190.A N PHE 186.A O no hydrogen 3.052 N/A LYS 191.A N TYR 187.A O no hydrogen 2.854 N/A LYS 191.A NZ GLY 253.A O no hydrogen 2.357 N/A GLU 192.A N GLU 188.A O no hydrogen 2.834 N/A ASN 193.A N ASP 189.A O no hydrogen 3.029 N/A LYS 195.A NZ ASN 193.A OD1 no hydrogen 3.500 N/A ARG 196.A N ASN 193.A OD1 no hydrogen 3.371 N/A ARG 196.A NE GLU 197.A OE2 no hydrogen 2.700 N/A ARG 196.A NH1 GLU 192.A OE1 no hydrogen 3.195 N/A ARG 196.A NH2 GLU 192.A OE1 no hydrogen 3.140 N/A ARG 196.A NH2 GLU 197.A OE2 no hydrogen 3.199 N/A GLU 197.A N ASN 193.A O no hydrogen 3.453 N/A ILE 198.A N PRO 194.A O no hydrogen 2.864 N/A GLN 199.A N LYS 195.A O no hydrogen 3.084 N/A LYS 200.A N ARG 196.A O no hydrogen 3.018 N/A LYS 200.A N GLU 197.A O no hydrogen 3.179 N/A LYS 200.A NZ GLU 197.A OE1 no hydrogen 2.625 N/A ILE 201.A N GLU 197.A O no hydrogen 2.993 N/A LEU 202.A N ILE 198.A O no hydrogen 2.978 N/A GLU 203.A N GLN 199.A O no hydrogen 3.119 N/A PHE 204.A N LYS 200.A O no hydrogen 2.858 N/A VAL 205.A N ILE 201.A O no hydrogen 2.962 N/A GLY 206.A N GLU 203.A O no hydrogen 3.318 N/A VAL 214.A N PRO 210.A O no hydrogen 2.882 N/A ASP 215.A N GLU 211.A O no hydrogen 2.997 N/A PHE 216.A N GLU 212.A O no hydrogen 3.134 N/A MET 217.A N THR 213.A O no hydrogen 2.921 N/A MET 217.A N VAL 214.A O no hydrogen 2.452 N/A VAL 218.A N VAL 214.A O no hydrogen 3.033 N/A GLN 219.A N ASP 215.A O no hydrogen 3.259 N/A HIS 220.A N PHE 216.A O no hydrogen 3.201 N/A THR 221.A N MET 217.A O no hydrogen 2.691 N/A THR 221.A N VAL 218.A O no hydrogen 3.108 N/A THR 221.A OG1 MET 217.A O no hydrogen 2.830 N/A THR 221.A OG1 VAL 218.A O no hydrogen 2.898 N/A SER 222.A N GLN 219.A O no hydrogen 3.440 N/A SER 222.A OG GLN 219.A O no hydrogen 3.007 N/A MET 226.A N SER 222.A O no hydrogen 2.907 N/A LYS 227.A N PHE 223.A O no hydrogen 2.768 N/A LYS 227.A NZ MET 250.A O no hydrogen 2.744 N/A LYS 228.A N LYS 224.A O no hydrogen 3.160 N/A ASN 229.A N GLU 225.A O no hydrogen 2.991 N/A MET 231.A N ASN 229.A OD1 no hydrogen 3.031 N/A THR 232.A N ASN 229.A O no hydrogen 3.157 N/A THR 232.A OG1 MET 226.A O no hydrogen 2.694 N/A THR 232.A OG1 ASN 229.A O no hydrogen 2.880 N/A ASN 233.A ND2 LYS 227.A O no hydrogen 2.939 N/A THR 235.A N ASN 233.A OD1 no hydrogen 3.090 N/A THR 235.A OG1 ASN 233.A OD1 no hydrogen 2.617 N/A VAL 237.A N TYR 234.A O no hydrogen 3.440 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.810 N/A PHE 241.A N PRO 238.A O no hydrogen 2.988 N/A MET 242.A N PRO 238.A O no hydrogen 3.179 N/A ASP 243.A N MET 139.A O no hydrogen 2.917 N/A HIS 244.A NE2 TYR 234.A O no hydrogen 2.845 N/A SER 245.A N ASP 243.A OD1 no hydrogen 3.090 N/A SER 245.A OG ASP 243.A OD1 no hydrogen 2.722 N/A SER 245.A OG ASP 243.A OD2 no hydrogen 3.478 N/A ILE 246.A N ASP 243.A O no hydrogen 2.967 N/A SER 247.A N ASP 243.A O no hydrogen 3.313 N/A PHE 249.A N HIS 244.A ND1 no hydrogen 3.292 N/A LYS 252.A NZ ASP 257.A OD2 no hydrogen 2.627 N/A GLY 256.A N ASP 128.A OD2 no hydrogen 2.798 N/A TRP 258.A N ASP 128.A OD1 no hydrogen 2.947 N/A TRP 258.A NE1 SER 287.A O no hydrogen 2.823 N/A LYS 259.A NZ GLU 288.A OE2 no hydrogen 3.529 N/A THR 260.A N ASP 257.A O no hydrogen 2.914 N/A THR 260.A OG1 ASP 257.A O no hydrogen 2.956 N/A THR 260.A OG1 ASP 257.A OD1 no hydrogen 3.005 N/A THR 260.A OG1 ASP 257.A OD2 no hydrogen 3.279 N/A THR 261.A N TRP 258.A O no hydrogen 2.793 N/A PHE 262.A N TRP 258.A O no hydrogen 2.994 N/A THR 263.A N GLN 266.A OE1 no hydrogen 2.911 N/A GLN 266.A N THR 263.A OG1 no hydrogen 3.042 N/A GLN 266.A NE2 ASP 150.A OD2 no hydrogen 2.566 N/A ASN 267.A N THR 263.A O no hydrogen 2.933 N/A GLU 268.A N VAL 264.A O no hydrogen 2.977 N/A ARG 269.A N ALA 265.A O no hydrogen 3.091 N/A ARG 269.A NE GLU 154.A OE2 no hydrogen 2.852 N/A ARG 269.A NH1 GLU 154.A OE1 no hydrogen 2.949 N/A PHE 270.A N GLN 266.A O no hydrogen 2.756 N/A ASP 271.A N ASN 267.A O no hydrogen 2.941 N/A ALA 272.A N GLU 268.A O no hydrogen 3.094 N/A ASP 273.A N ARG 269.A O no hydrogen 3.075 N/A TYR 274.A N PHE 270.A O no hydrogen 2.714 N/A ALA 275.A N ASP 271.A O no hydrogen 3.034 N/A GLU 276.A N ASP 273.A O no hydrogen 3.237 N/A LYS 277.A N ASP 273.A O no hydrogen 3.065 N/A LYS 277.A N TYR 274.A O no hydrogen 3.070 N/A LYS 277.A NZ MET 157.A O no hydrogen 2.646 N/A LYS 277.A NZ ASP 273.A OD1 no hydrogen 3.419 N/A LYS 277.A NZ ASP 273.A OD2 no hydrogen 2.730 N/A MET 278.A N TYR 274.A O no hydrogen 2.938 N/A CYS 281.A N MET 278.A O no hydrogen 3.276 N/A CYS 281.A SG GLN 171.A OE1 no hydrogen 3.787 N/A ARG 286.A NH1 ASP 189.A OD1 no hydrogen 3.025 N/A ARG 286.A NH1 GLU 192.A OE1 no hydrogen 3.197 N/A ARG 286.A NH2 GLU 192.A OE2 no hydrogen 3.417 N/A SER 287.A OG GLU 288.A OE1 no hydrogen 3.340 N/A