Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLU 40.A OE2 no hydrogen 3.257 N/A THR 6.A OG1 LEU 3.A O no hydrogen 3.539 N/A LEU 7.A N LEU 3.A O no hydrogen 3.354 N/A ARG 8.A N GLY 4.A O no hydrogen 2.773 N/A ARG 8.A NE GLU 35.A OE1 no hydrogen 2.364 N/A ARG 9.A N LYS 5.A O no hydrogen 3.129 N/A ARG 9.A NH2 THR 63.A O no hydrogen 2.032 N/A LEU 10.A N THR 6.A O no hydrogen 2.911 N/A ARG 11.A N LEU 7.A O no hydrogen 2.894 N/A ARG 11.A NE VAL 16.A O no hydrogen 3.298 N/A ARG 11.A NH1 GLU 35.A OE2 no hydrogen 2.915 N/A GLN 12.A N ARG 8.A O no hydrogen 2.862 N/A GLY 13.A N ARG 9.A O no hydrogen 3.045 N/A LYS 14.A N LEU 10.A O no hydrogen 3.356 N/A LYS 14.A NZ LEU 53.A O no hydrogen 2.470 N/A GLN 15.A N GLN 12.A O no hydrogen 2.993 N/A VAL 16.A N ARG 11.A O no hydrogen 3.491 N/A SER 20.A N SER 17.A OG no hydrogen 2.342 N/A LEU 21.A N ILE 18.A O no hydrogen 3.096 N/A ALA 22.A N SER 19.A O no hydrogen 3.234 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.916 N/A HIS 25.A ND1 ASP 23.A OD2 no hydrogen 3.267 N/A SER 32.A N SER 29.A O no hydrogen 2.759 N/A ARG 33.A N SER 29.A O no hydrogen 3.108 N/A ARG 33.A NE GLN 30.A OE1 no hydrogen 2.462 N/A PHE 34.A N GLN 30.A O no hydrogen 2.590 N/A GLU 35.A N ILE 31.A O no hydrogen 2.932 N/A ARG 36.A N ARG 33.A O no hydrogen 3.298 N/A GLY 37.A N PHE 34.A O no hydrogen 3.336 N/A GLU 38.A N ARG 33.A O no hydrogen 2.995 N/A SER 39.A N ARG 33.A O no hydrogen 3.152 N/A SER 39.A OG GLN 30.A OE1 no hydrogen 3.010 N/A SER 42.A OG SER 44.A OG no hydrogen 2.332 N/A SER 44.A OG SER 42.A OG no hydrogen 2.332 N/A ARG 45.A N SER 42.A OG no hydrogen 3.410 N/A ARG 45.A NH1 HIS 25.A O no hydrogen 2.511 N/A LEU 46.A N SER 42.A O no hydrogen 3.137 N/A LEU 47.A N CYS 43.A O no hydrogen 2.889 N/A ASN 48.A N SER 44.A O no hydrogen 3.320 N/A ASN 48.A ND2 ASP 23.A OD2 no hydrogen 2.591 N/A LEU 49.A N ARG 45.A O no hydrogen 2.821 N/A LEU 50.A N LEU 46.A O no hydrogen 2.762 N/A ASP 51.A N LEU 47.A O no hydrogen 2.913 N/A LYS 52.A N ASN 48.A O no hydrogen 3.165 N/A LYS 52.A NZ SER 20.A O no hydrogen 3.059 N/A LEU 53.A N LEU 49.A O no hydrogen 3.198 N/A ASN 54.A N ASP 51.A O no hydrogen 3.085 N/A ILE 55.A N LEU 50.A O no hydrogen 2.949 N/A PHE 60.A N THR 56.A O no hydrogen 3.025 N/A VAL 61.A N ILE 57.A O no hydrogen 3.234 N/A SER 62.A N ASP 58.A O no hydrogen 3.237 N/A SER 62.A N GLU 59.A O no hydrogen 3.238 N/A SER 62.A OG ASP 58.A O no hydrogen 3.447 N/A THR 63.A N PHE 60.A O no hydrogen 2.959 N/A THR 63.A OG1 GLU 59.A O no hydrogen 2.488 N/A HIS 64.A N PHE 60.A O no hydrogen 3.090 N/A SER 65.A OG THR 67.A O no hydrogen 3.441 N/A THR 73.A N THR 69.A O no hydrogen 3.211 N/A THR 73.A OG1 THR 69.A O no hydrogen 2.974 N/A LEU 74.A N HIS 70.A O no hydrogen 3.435 N/A LEU 75.A N PHE 71.A O no hydrogen 3.046 N/A SER 76.A N PHE 72.A O no hydrogen 2.943 N/A SER 76.A OG PHE 72.A O no hydrogen 3.074 N/A SER 76.A OG THR 73.A O no hydrogen 2.727 N/A ARG 77.A N THR 73.A O no hydrogen 3.163 N/A ARG 77.A NE TYR 81.A OH no hydrogen 3.482 N/A ARG 77.A NH2 TYR 81.A OH no hydrogen 3.421 N/A VAL 78.A N LEU 74.A O no hydrogen 2.813 N/A ARG 79.A N LEU 75.A O no hydrogen 2.677 N/A LYS 80.A N SER 76.A O no hydrogen 2.792 N/A TYR 81.A N ARG 77.A O no hydrogen 3.197 N/A TYR 82.A N VAL 78.A O no hydrogen 2.798 N/A TYR 82.A OH SER 113.A OG no hydrogen 2.320 N/A ALA 83.A N ARG 79.A O no hydrogen 3.032 N/A GLU 84.A N LYS 80.A O no hydrogen 3.383 N/A LYS 85.A N TYR 82.A O no hydrogen 2.953 N/A ASN 86.A N TYR 81.A O no hydrogen 3.297 N/A LYS 89.A N ASN 86.A OD1 no hydrogen 2.978 N/A LYS 89.A NZ GLU 84.A OE1 no hydrogen 2.301 N/A LEU 91.A N VAL 87.A O no hydrogen 2.774 N/A LYS 92.A N ALA 88.A O no hydrogen 3.003 N/A LEU 93.A N LYS 89.A O no hydrogen 3.285 N/A LEU 94.A N LEU 90.A O no hydrogen 3.048 N/A LEU 94.A N LEU 91.A O no hydrogen 3.219 N/A GLU 95.A N LYS 92.A O no hydrogen 2.981 N/A ASP 96.A N LYS 92.A O no hydrogen 3.142 N/A ALA 98.A N GLU 95.A O no hydrogen 3.490 N/A LYS 100.A N TYR 97.A O no hydrogen 3.086 N/A GLU 103.A N GLU 103.A OE2 no hydrogen 2.701 N/A SER 104.A N LYS 100.A O no hydrogen 2.997 N/A SER 104.A OG LYS 100.A O no hydrogen 2.881 N/A SER 104.A OG ASP 101.A O no hydrogen 3.246 N/A THR 105.A N ASP 101.A O no hydrogen 2.899 N/A THR 105.A OG1 ASP 101.A O no hydrogen 2.962 N/A MET 106.A N TYR 102.A O no hydrogen 2.971 N/A ILE 107.A N GLU 103.A O no hydrogen 2.988 N/A LYS 108.A N SER 104.A O no hydrogen 3.103 N/A ALA 109.A N THR 105.A O no hydrogen 3.131 N/A ILE 110.A N MET 106.A O no hydrogen 2.970 N/A LEU 111.A N ILE 107.A O no hydrogen 2.627 N/A SER 112.A N LYS 108.A O no hydrogen 3.155 N/A SER 112.A OG LYS 108.A O no hydrogen 3.332 N/A SER 112.A OG ALA 109.A O no hydrogen 3.123 N/A SER 113.A N ILE 110.A O no hydrogen 3.072 N/A SER 113.A OG TYR 82.A OH no hydrogen 2.320 N/A ILE 114.A N LEU 111.A O no hydrogen 3.183 N/A THR 117.A OG1 GLU 115.A OE1 no hydrogen 2.391 N/A THR 117.A OG1 GLU 115.A OE2 no hydrogen 3.250 N/A SER 121.A N GLU 124.A OE1 no hydrogen 3.013 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.708 N/A GLU 124.A N SER 121.A OG no hydrogen 2.276 N/A VAL 125.A N SER 121.A O no hydrogen 3.236 N/A THR 126.A N GLU 122.A O no hydrogen 3.142 N/A THR 126.A OG1 GLU 122.A O no hydrogen 2.832 N/A ARG 127.A N GLU 123.A O no hydrogen 2.876 N/A ARG 127.A NE ASP 101.A OD2 no hydrogen 2.497 N/A ARG 127.A NH2 ASP 101.A OD1 no hydrogen 2.728 N/A LEU 128.A N GLU 124.A O no hydrogen 2.882 N/A THR 129.A N VAL 125.A O no hydrogen 2.848 N/A THR 129.A OG1 VAL 125.A O no hydrogen 3.179 N/A THR 129.A OG1 THR 126.A O no hydrogen 3.156 N/A ASP 130.A N THR 126.A O no hydrogen 2.877 N/A TYR 131.A N ARG 127.A O no hydrogen 3.228 N/A TYR 131.A OH GLU 142.A OE1 no hydrogen 2.745 N/A LEU 132.A N LEU 128.A O no hydrogen 2.893 N/A PHE 133.A N THR 129.A O no hydrogen 2.862 N/A SER 134.A N ASP 130.A O no hydrogen 3.099 N/A SER 134.A N TYR 131.A O no hydrogen 2.873 N/A SER 134.A OG TYR 131.A O no hydrogen 2.474 N/A VAL 135.A N TYR 131.A O no hydrogen 3.104 N/A TRP 138.A N SER 168.A O no hydrogen 2.779 N/A GLY 139.A N GLU 142.A OE2 no hydrogen 2.645 N/A TYR 141.A OH GLU 103.A OE1 no hydrogen 2.531 N/A ILE 143.A N GLY 139.A O no hydrogen 2.949 N/A ILE 144.A N TYR 140.A O no hydrogen 2.976 N/A LEU 145.A N TYR 141.A O no hydrogen 3.130 N/A LEU 146.A N GLU 142.A O no hydrogen 2.954 N/A GLY 147.A N ILE 143.A O no hydrogen 2.965 N/A ASN 148.A N ILE 144.A O no hydrogen 2.913 N/A CYS 149.A N LEU 145.A O no hydrogen 3.180 N/A CYS 149.A SG LEU 145.A O no hydrogen 3.265 N/A SER 150.A OG GLY 147.A O no hydrogen 3.239 N/A PHE 152.A N CYS 149.A O no hydrogen 3.105 N/A TYR 155.A OH HIS 201.A ND1 no hydrogen 2.703 N/A THR 157.A OG1 ASN 154.A O no hydrogen 3.239 N/A THR 157.A OG1 ASN 154.A OD1 no hydrogen 2.596 N/A LEU 158.A N ASN 154.A O no hydrogen 3.078 N/A PHE 159.A N TYR 155.A O no hydrogen 2.909 N/A LEU 160.A N ASN 156.A O no hydrogen 3.205 N/A LEU 161.A N THR 157.A O no hydrogen 2.791 N/A THR 162.A N LEU 158.A O no hydrogen 2.876 N/A THR 162.A OG1 LEU 158.A O no hydrogen 2.515 N/A LYS 163.A N PHE 159.A O no hydrogen 2.700 N/A GLU 164.A N LEU 160.A O no hydrogen 3.031 N/A MET 165.A N LEU 161.A O no hydrogen 2.859 N/A VAL 166.A N THR 162.A O no hydrogen 2.951 N/A THR 167.A N LYS 163.A O no hydrogen 3.126 N/A THR 167.A OG1 LYS 163.A O no hydrogen 2.692 N/A THR 167.A OG1 GLU 164.A O no hydrogen 3.159 N/A SER 168.A N MET 165.A O no hydrogen 3.206 N/A SER 168.A OG GLU 164.A O no hydrogen 2.330 N/A ALA 170.A N TRP 138.A O no hydrogen 3.204 N/A GLN 174.A N SER 172.A OG no hydrogen 2.939 N/A ASN 175.A N SER 172.A OG no hydrogen 3.253 N/A LYS 176.A NZ GLU 216.A OE1 no hydrogen 3.553 N/A THR 177.A N ASN 175.A OD1 no hydrogen 3.085 N/A THR 177.A OG1 ASN 175.A OD1 no hydrogen 2.895 N/A ASN 178.A ND2 ALA 170.A O no hydrogen 3.030 N/A LYS 179.A NZ GLU 216.A OE2 no hydrogen 2.859 N/A THR 180.A N LYS 176.A O no hydrogen 2.895 N/A THR 180.A OG1 LYS 176.A O no hydrogen 3.284 N/A LEU 181.A N THR 177.A O no hydrogen 3.188 N/A VAL 182.A N ASN 178.A O no hydrogen 2.939 N/A THR 183.A N LYS 179.A O no hydrogen 3.063 N/A THR 183.A OG1 THR 180.A O no hydrogen 2.768 N/A GLN 184.A N THR 180.A O no hydrogen 2.952 N/A GLN 184.A NE2 GLU 221.A OE2 no hydrogen 2.651 N/A LEU 185.A N LEU 181.A O no hydrogen 2.777 N/A SER 186.A N VAL 182.A O no hydrogen 3.006 N/A SER 186.A OG VAL 182.A O no hydrogen 2.576 N/A ILE 187.A N THR 183.A O no hydrogen 2.977 N/A ASN 188.A N GLN 184.A O no hydrogen 3.021 N/A CYS 189.A N LEU 185.A O no hydrogen 3.075 N/A CYS 189.A SG THR 162.A OG1 no hydrogen 3.709 N/A LEU 190.A N SER 186.A O no hydrogen 3.087 N/A ILE 191.A N ILE 187.A O no hydrogen 3.180 N/A SER 193.A N CYS 189.A O no hydrogen 3.101 N/A SER 193.A OG LEU 190.A O no hydrogen 2.645 N/A SER 193.A OG SER 202.A OG no hydrogen 2.886 N/A ILE 194.A N LEU 190.A O no hydrogen 2.921 N/A ASP 195.A N ILE 191.A O no hydrogen 3.083 N/A TYR 196.A N ILE 192.A O no hydrogen 3.139 N/A SER 197.A N ILE 194.A O no hydrogen 2.820 N/A TYR 198.A N SER 193.A O no hydrogen 2.783 N/A HIS 201.A N ASP 200.A OD1 no hydrogen 2.739 N/A HIS 201.A ND1 TYR 155.A OH no hydrogen 2.703 N/A SER 202.A N TYR 198.A O no hydrogen 2.913 N/A SER 202.A OG SER 193.A OG no hydrogen 2.886 N/A SER 202.A OG TYR 198.A O no hydrogen 3.010 N/A HIS 203.A N PHE 199.A O no hydrogen 2.802 N/A TYR 204.A N ASP 200.A O no hydrogen 3.039 N/A LEU 205.A N HIS 201.A O no hydrogen 2.994 N/A ILE 206.A N SER 202.A O no hydrogen 2.849 N/A GLU 207.A N HIS 203.A O no hydrogen 3.283 N/A LYS 208.A N TYR 204.A O no hydrogen 3.219 N/A ILE 209.A N LEU 205.A O no hydrogen 2.826 N/A GLU 210.A N ILE 206.A O no hydrogen 2.880 N/A PHE 211.A N GLU 207.A O no hydrogen 3.098 N/A LEU 212.A N LYS 208.A O no hydrogen 2.962 N/A LEU 213.A N ILE 209.A O no hydrogen 3.055 N/A ARG 214.A N PHE 211.A O no hydrogen 3.462 N/A ASN 218.A ND2 THR 180.A OG1 no hydrogen 3.283 N/A ASN 218.A ND2 GLU 221.A OE1 no hydrogen 3.003 N/A LYS 222.A N ASN 218.A O no hydrogen 3.109 N/A LYS 222.A NZ GLU 216.A O no hydrogen 3.045 N/A LYS 222.A NZ LEU 217.A O no hydrogen 3.133 N/A THR 223.A N PHE 219.A O no hydrogen 2.900 N/A VAL 224.A N TYR 220.A O no hydrogen 3.279 N/A PHE 225.A N GLU 221.A O no hydrogen 2.979 N/A LEU 226.A N LYS 222.A O no hydrogen 2.823 N/A TYR 227.A N THR 223.A O no hydrogen 2.861 N/A TYR 227.A OH HIS 267.A ND1 no hydrogen 2.741 N/A VAL 228.A N VAL 224.A O no hydrogen 2.766 N/A HIS 229.A N PHE 225.A O no hydrogen 2.578 N/A GLY 230.A N LEU 226.A O no hydrogen 3.054 N/A TYR 231.A N TYR 227.A O no hydrogen 2.694 N/A TYR 231.A OH ASP 195.A OD1 no hydrogen 2.341 N/A TYR 232.A N VAL 228.A O no hydrogen 2.882 N/A LYS 233.A N HIS 229.A O no hydrogen 3.194 N/A LYS 233.A NZ ASP 244.A OD2 no hydrogen 3.181 N/A LEU 234.A N GLY 230.A O no hydrogen 2.933 N/A LYS 235.A N TYR 231.A O no hydrogen 3.357 N/A LYS 235.A NZ ILE 194.A O no hydrogen 3.228 N/A LYS 235.A NZ ASP 195.A O no hydrogen 3.488 N/A GLN 236.A N LYS 233.A O no hydrogen 3.160 N/A GLY 237.A N LEU 234.A O no hydrogen 3.401 N/A GLN 238.A N LYS 233.A O no hydrogen 3.021 N/A GLY 241.A N GLN 238.A O no hydrogen 3.171 N/A LYS 242.A N VAL 239.A O no hydrogen 2.826 N/A ASP 243.A N SER 240.A O no hydrogen 2.936 N/A ASP 244.A N SER 240.A O no hydrogen 3.210 N/A MET 245.A N GLY 241.A O no hydrogen 3.149 N/A ARG 246.A N LYS 242.A O no hydrogen 3.326 N/A GLN 247.A N ASP 243.A O no hydrogen 3.016 N/A ALA 248.A N ASP 244.A O no hydrogen 3.067 N/A LEU 249.A N MET 245.A O no hydrogen 3.130 N/A GLN 250.A N ARG 246.A O no hydrogen 2.962 N/A ILE 251.A N GLN 247.A O no hydrogen 3.101 N/A PHE 252.A N ALA 248.A O no hydrogen 3.076 N/A LYS 253.A N LEU 249.A O no hydrogen 2.926 N/A LYS 253.A NZ TYR 261.A OH no hydrogen 3.510 N/A TYR 254.A N GLN 250.A O no hydrogen 2.738 N/A LEU 255.A N ILE 251.A O no hydrogen 3.094 N/A GLY 256.A N LYS 253.A O no hydrogen 3.286 N/A GLU 257.A N PHE 252.A O no hydrogen 3.061 N/A TYR 261.A N GLU 257.A O no hydrogen 3.046 N/A TYR 262.A N.A ASP 258.A O no hydrogen 3.001 N/A TYR 262.A N.B ASP 258.A O no hydrogen 3.007 N/A SER 263.A N ALA 259.A O no hydrogen 3.169 N/A SER 263.A OG ALA 259.A O no hydrogen 2.451 N/A TYR 264.A N LEU 260.A O no hydrogen 3.013 N/A LYS 265.A N TYR 261.A O no hydrogen 2.888 N/A LYS 265.A NZ TYR 261.A OH no hydrogen 2.479 N/A GLU 266.A N TYR 262.A O.A no hydrogen 3.109 N/A GLU 266.A N TYR 262.A O.B no hydrogen 3.258 N/A HIS 267.A ND1 TYR 227.A OH no hydrogen 2.741 N/A HIS 267.A NE2 ASP 195.A OD1 no hydrogen 3.364 N/A TYR 268.A N TYR 264.A O no hydrogen 2.940 N/A ARG 269.A N LYS 265.A O no hydrogen 2.748 N/A LYS 270.A N GLU 266.A O no hydrogen 3.254 N/A GLU 271.A N TYR 268.A O no hydrogen 3.406 N/A GLY 274.A N ARG 269.A O no hydrogen 2.906 N/A