Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a1r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 82.A O no hydrogen 2.943 N/A ILE 3.A N ASN 84.A O no hydrogen 2.815 N/A ARG 5.A N ASN 124.A O no hydrogen 2.849 N/A ARG 5.A NE GLY 125.A O no hydrogen 2.866 N/A ARG 5.A NH2 GLY 125.A O no hydrogen 3.167 N/A ASN 7.A N ILE 4.A O no hydrogen 3.329 N/A SER 10.A OG ASN 7.A O no hydrogen 3.316 N/A ASN 11.A N ASN 7.A O no hydrogen 3.299 N/A LEU 12.A N LYS 9.A O no hydrogen 3.491 N/A HIS 13.A ND1 SER 10.A O no hydrogen 2.915 N/A LYS 14.A N ASN 11.A O no hydrogen 3.222 N/A LYS 14.A NZ ASN 11.A OD1 no hydrogen 2.930 N/A VAL 15.A N ASN 11.A O no hydrogen 3.359 N/A TYR 16.A N LEU 12.A O no hydrogen 3.060 N/A GLN 17.A N HIS 13.A O no hydrogen 3.127 N/A GLN 17.A NE2 GLU 21.A OE2 no hydrogen 3.043 N/A ALA 18.A N LYS 14.A O no hydrogen 2.995 N/A ILE 19.A N VAL 15.A O no hydrogen 2.932 N/A GLU 20.A N TYR 16.A O no hydrogen 2.969 N/A GLU 21.A N GLN 17.A O no hydrogen 3.033 N/A ASP 23.A N PHE 69.A O no hydrogen 2.856 N/A PHE 25.A N LEU 165.A O no hydrogen 3.063 N/A ALA 26.A N CYS 67.A O no hydrogen 2.799 N/A ILE 27.A N ILE 167.A O no hydrogen 2.830 N/A ASP 28.A N GLY 65.A O no hydrogen 3.088 N/A GLU 30.A N GLN 63.A O no hydrogen 2.896 N/A SER 32.A N LEU 60.A O no hydrogen 2.709 N/A SER 32.A OG VAL 102.A O no hydrogen 2.548 N/A ILE 34.A N GLN 104.A OE1 no hydrogen 2.946 N/A SER 35.A N GLN 104.A OE1 no hydrogen 3.262 N/A SER 35.A OG PRO 38.A O no hydrogen 2.530 N/A ASP 36.A N HIS 55.A O no hydrogen 3.044 N/A GLY 37.A N SER 35.A OG no hydrogen 3.413 N/A ASP 43.A N GLY 41.A O no hydrogen 2.936 N/A THR 44.A OG1 GLU 47.A OE2 no hydrogen 2.734 N/A GLU 47.A N THR 44.A O no hydrogen 3.128 N/A ARG 48.A N THR 44.A O no hydrogen 3.178 N/A ARG 48.A NH2 GLY 41.A O no hydrogen 3.502 N/A TYR 49.A N PRO 45.A O no hydrogen 3.233 N/A TYR 49.A OH PRO 187.A O no hydrogen 2.887 N/A GLN 50.A N GLU 46.A O no hydrogen 3.250 N/A GLN 50.A NE2 ALA 188.A O no hydrogen 2.727 N/A LYS 51.A N GLU 47.A O no hydrogen 3.032 N/A LYS 51.A NZ ASP 43.A OD1 no hydrogen 3.469 N/A LYS 51.A NZ ASP 43.A OD2 no hydrogen 3.300 N/A LEU 52.A N ARG 48.A O no hydrogen 2.857 N/A LYS 53.A N TYR 49.A O no hydrogen 2.934 N/A LYS 53.A NZ PRO 187.A O no hydrogen 3.174 N/A HIS 55.A N LYS 51.A O no hydrogen 3.221 N/A SER 56.A N LEU 52.A O no hydrogen 3.039 N/A SER 56.A OG ILE 34.A O no hydrogen 2.713 N/A LEU 60.A N SER 32.A OG no hydrogen 2.972 N/A PHE 62.A N GLU 30.A O no hydrogen 3.130 N/A PHE 64.A N PHE 85.A O no hydrogen 2.827 N/A GLY 65.A N ASP 28.A O no hydrogen 2.729 N/A LEU 66.A N PHE 83.A O no hydrogen 2.912 N/A CYS 67.A N ALA 26.A O no hydrogen 2.935 N/A THR 68.A N LYS 81.A O no hydrogen 2.892 N/A PHE 69.A N PHE 24.A O no hydrogen 3.123 N/A LYS 70.A N ILE 79.A O no hydrogen 2.923 N/A TYR 71.A N ASP 23.A OD2 no hydrogen 2.694 N/A ASP 72.A N LYS 77.A O no hydrogen 2.817 N/A THR 74.A OG1 ASP 72.A OD1 no hydrogen 3.534 N/A SER 76.A OG ASP 75.A O no hydrogen 2.621 N/A LYS 77.A N ASP 72.A O no hydrogen 3.322 N/A TYR 78.A N LYS 241.A O no hydrogen 2.959 N/A ILE 79.A N LYS 70.A O no hydrogen 2.828 N/A THR 80.A N GLU 243.A O no hydrogen 2.872 N/A LYS 81.A N THR 68.A O no hydrogen 3.076 N/A LYS 81.A NZ GLU 21.A OE1 no hydrogen 2.764 N/A PHE 83.A N LEU 66.A O no hydrogen 2.671 N/A ASN 84.A N MET 1.A O no hydrogen 2.840 N/A PHE 85.A N PHE 64.A O no hydrogen 2.819 N/A TYR 86.A N ILE 3.A O no hydrogen 3.099 N/A TYR 86.A OH GLU 2.A OE1 no hydrogen 2.554 N/A VAL 87.A N PHE 62.A O no hydrogen 3.210 N/A PHE 88.A N ILE 126.A O no hydrogen 2.954 N/A LYS 90.A N PHE 88.A O no hydrogen 2.798 N/A ASN 93.A ND2 SER 95.A OG no hydrogen 2.619 N/A LYS 100.A NZ ASP 98.A O no hydrogen 2.770 N/A VAL 102.A N ASP 58.A O no hydrogen 3.134 N/A GLN 104.A N SER 32.A O no hydrogen 2.838 N/A SER 107.A N GLN 104.A O no hydrogen 2.917 N/A ILE 108.A N GLN 104.A O no hydrogen 2.979 N/A ASP 109.A N SER 105.A O no hydrogen 3.016 N/A PHE 110.A N SER 106.A O no hydrogen 2.996 N/A LEU 111.A N SER 107.A O no hydrogen 2.862 N/A ALA 112.A N ILE 108.A O no hydrogen 2.900 N/A SER 113.A N ASP 109.A O no hydrogen 3.256 N/A SER 113.A N PHE 110.A O no hydrogen 3.193 N/A SER 113.A OG PHE 110.A O no hydrogen 2.779 N/A GLN 114.A N PHE 110.A O no hydrogen 3.324 N/A GLN 114.A N LEU 111.A O no hydrogen 3.196 N/A GLN 114.A NE2 SER 113.A OG no hydrogen 3.131 N/A GLY 115.A N ALA 112.A O no hydrogen 3.084 N/A PHE 116.A N LEU 111.A O no hydrogen 3.132 N/A ASN 119.A N ASP 117.A OD1 no hydrogen 3.020 N/A LYS 120.A N ASP 117.A O no hydrogen 3.145 N/A LYS 120.A NZ GLU 2.A OE1 no hydrogen 3.264 N/A VAL 121.A N PHE 118.A O no hydrogen 3.188 N/A PHE 122.A N PHE 118.A O no hydrogen 2.844 N/A ARG 123.A N ASN 119.A O no hydrogen 2.938 N/A ASN 124.A N ASN 119.A O no hydrogen 3.013 N/A ILE 126.A N TYR 86.A O no hydrogen 2.851 N/A ASN 130.A N GLU 133.A OE1 no hydrogen 2.891 N/A GLN 131.A N TYR 183.A O no hydrogen 2.915 N/A GLU 133.A N ASN 130.A OD1 no hydrogen 2.963 N/A GLU 134.A N ASN 130.A O no hydrogen 2.999 N/A ARG 135.A N GLN 131.A O no hydrogen 3.361 N/A GLN 136.A N GLU 132.A O no hydrogen 2.820 N/A LEU 137.A N GLU 133.A O no hydrogen 3.233 N/A GLN 143.A N HIS 139.A O no hydrogen 3.320 N/A GLU 144.A N LYS 141.A O no hydrogen 3.267 N/A GLU 145.A N LYS 141.A O no hydrogen 3.091 N/A ASN 147.A N GLN 143.A O no hydrogen 3.383 N/A ASP 148.A N GLU 144.A O no hydrogen 2.904 N/A ALA 149.A N LEU 146.A O no hydrogen 3.442 N/A PHE 152.A N PRO 127.A O no hydrogen 2.976 N/A SER 153.A N VAL 150.A O no hydrogen 3.228 N/A SER 153.A OG LEU 129.A O no hydrogen 2.698 N/A SER 153.A OG PHE 182.A O no hydrogen 3.393 N/A ARG 154.A N GLY 151.A O no hydrogen 2.944 N/A VAL 155.A N PHE 152.A O no hydrogen 2.828 N/A ILE 156.A N PHE 152.A O no hydrogen 3.407 N/A HIS 157.A N SER 153.A O no hydrogen 2.821 N/A ALA 158.A N ARG 154.A O no hydrogen 3.200 N/A ILE 159.A N VAL 155.A O no hydrogen 3.295 N/A ALA 160.A N ILE 156.A O no hydrogen 3.141 N/A ASN 161.A N HIS 157.A O no hydrogen 3.004 N/A SER 162.A N ALA 158.A O no hydrogen 2.979 N/A SER 162.A N ILE 159.A O no hydrogen 3.046 N/A SER 162.A OG ILE 159.A O no hydrogen 2.496 N/A LYS 164.A NZ GLU 20.A O no hydrogen 3.313 N/A LYS 164.A NZ ALA 22.A O no hydrogen 2.347 N/A VAL 166.A N ARG 203.A O no hydrogen 2.871 N/A ILE 167.A N PHE 25.A O no hydrogen 2.692 N/A GLY 168.A N LEU 205.A O no hydrogen 2.981 N/A ASN 170.A N ASP 206.A OD1 no hydrogen 2.724 N/A MET 171.A N ASP 206.A OD2 no hydrogen 2.946 N/A VAL 175.A N MET 171.A O no hydrogen 2.832 N/A MET 176.A N LEU 172.A O no hydrogen 2.820 N/A HIS 177.A N LEU 173.A O no hydrogen 2.813 N/A THR 178.A N ASP 174.A O no hydrogen 3.083 N/A THR 178.A OG1 ASP 174.A O no hydrogen 2.739 N/A VAL 179.A N VAL 175.A O no hydrogen 3.155 N/A HIS 180.A N MET 176.A O no hydrogen 2.934 N/A GLN 181.A N HIS 177.A O no hydrogen 2.942 N/A PHE 182.A N THR 178.A O no hydrogen 3.000 N/A TYR 183.A N VAL 179.A O no hydrogen 3.121 N/A CYS 184.A N VAL 179.A O no hydrogen 2.831 N/A CYS 184.A SG PRO 185.A O no hydrogen 3.480 N/A LEU 186.A N HIS 180.A ND1 no hydrogen 3.269 N/A PHE 193.A N ASP 189.A O no hydrogen 3.256 N/A LYS 194.A N LEU 190.A O no hydrogen 2.983 N/A GLU 195.A N SER 191.A O no hydrogen 3.335 N/A MET 196.A N GLU 192.A O no hydrogen 3.122 N/A THR 197.A N PHE 193.A O no hydrogen 3.056 N/A THR 197.A OG1 PHE 193.A O no hydrogen 3.175 N/A THR 198.A N LYS 194.A O no hydrogen 3.410 N/A THR 198.A OG1 LYS 194.A O no hydrogen 3.171 N/A CYS 199.A N MET 196.A O no hydrogen 2.772 N/A CYS 199.A SG GLU 195.A O no hydrogen 3.577 N/A VAL 200.A N MET 196.A O no hydrogen 3.170 N/A VAL 200.A N THR 197.A O no hydrogen 3.097 N/A PHE 201.A N THR 197.A O no hydrogen 2.621 N/A LEU 204.A N ASN 297.A OD1 no hydrogen 3.123 N/A LEU 205.A N VAL 166.A O no hydrogen 3.201 N/A THR 207.A N GLY 168.A O no hydrogen 2.919 N/A THR 207.A OG1 GLY 168.A O no hydrogen 3.072 N/A LYS 208.A N ASP 206.A OD1 no hydrogen 2.903 N/A LYS 208.A NZ THR 223.A OG1 no hydrogen 3.091 N/A MET 210.A N ASP 206.A O no hydrogen 2.807 N/A ALA 211.A N THR 207.A O no hydrogen 2.883 N/A SER 212.A N LEU 209.A O no hydrogen 2.876 N/A SER 212.A OG LYS 208.A O no hydrogen 2.864 N/A THR 213.A N MET 210.A O no hydrogen 3.164 N/A THR 213.A OG1 LEU 209.A O no hydrogen 2.932 N/A LYS 217.A N THR 213.A O no hydrogen 2.890 N/A ILE 219.A N PHE 216.A O no hydrogen 2.982 N/A ILE 220.A N PHE 216.A O no hydrogen 3.000 N/A SER 224.A N ASN 222.A OD1 no hydrogen 3.126 N/A LEU 228.A N SER 224.A O no hydrogen 2.694 N/A GLU 229.A N LEU 225.A O no hydrogen 3.073 N/A LYS 230.A N ALA 226.A O no hydrogen 3.221 N/A ARG 231.A N GLU 227.A O no hydrogen 2.897 N/A ARG 231.A NE ARG 231.A O no hydrogen 2.964 N/A LEU 232.A N LEU 228.A O no hydrogen 3.006 N/A LYS 233.A N LYS 230.A O no hydrogen 3.312 N/A GLU 234.A N ARG 231.A O no hydrogen 3.184 N/A PHE 237.A N GLU 234.A O no hydrogen 2.888 N/A LYS 241.A NZ SER 76.A O no hydrogen 3.539 N/A GLU 243.A N TYR 78.A O no hydrogen 2.978 N/A SER 244.A OG PRO 249.A O no hydrogen 3.247 N/A ALA 245.A N THR 80.A O no hydrogen 3.022 N/A PHE 248.A N ALA 245.A O no hydrogen 3.189 N/A TYR 251.A OH GLU 255.A OE1 no hydrogen 3.082 N/A HIS 254.A N GLN 114.A OE1 no hydrogen 2.872 N/A ALA 256.A N GLN 63.A OE1 no hydrogen 3.262 N/A TYR 258.A N GLU 255.A OE2 no hydrogen 2.840 N/A ASP 259.A N GLU 255.A O no hydrogen 3.058 N/A ALA 260.A N ALA 256.A O no hydrogen 2.935 N/A TYR 261.A N GLY 257.A O no hydrogen 3.061 N/A ILE 262.A N TYR 258.A O no hydrogen 2.852 N/A THR 263.A N ASP 259.A O no hydrogen 2.838 N/A THR 263.A OG1 ASP 259.A O no hydrogen 2.574 N/A GLY 264.A N ALA 260.A O no hydrogen 3.010 N/A LEU 265.A N TYR 261.A O no hydrogen 3.032 N/A CYS 266.A N ILE 262.A O no hydrogen 2.993 N/A CYS 266.A SG ILE 262.A O no hydrogen 3.327 N/A PHE 267.A N THR 263.A O no hydrogen 3.054 N/A ILE 268.A N GLY 264.A O no hydrogen 3.128 N/A SER 269.A N LEU 265.A O no hydrogen 3.152 N/A SER 269.A OG LEU 232.A O no hydrogen 3.396 N/A SER 269.A OG ASN 238.A O no hydrogen 3.318 N/A MET 270.A N CYS 266.A O no hydrogen 3.072 N/A ALA 271.A N PHE 267.A O no hydrogen 2.868 N/A ASN 272.A N ILE 268.A O no hydrogen 3.038 N/A TYR 273.A N SER 269.A O no hydrogen 3.126 N/A LEU 274.A N ALA 271.A O no hydrogen 3.112 N/A GLY 275.A N ASN 272.A O no hydrogen 3.073 N/A SER 276.A N TYR 273.A O no hydrogen 3.152 N/A SER 276.A OG TYR 273.A O no hydrogen 2.894 N/A PHE 277.A N LEU 274.A O no hydrogen 3.213 N/A LEU 278.A N GLY 275.A O no hydrogen 3.207 N/A LYS 282.A N GLY 275.A O no hydrogen 3.154 N/A VAL 285.A N ASN 272.A OD1 no hydrogen 3.037 N/A ARG 288.A N SER 286.A OG no hydrogen 2.703 N/A ARG 288.A NH1 ASP 23.A OD1 no hydrogen 3.115 N/A SER 289.A N SER 286.A O no hydrogen 3.382 N/A SER 289.A N SER 286.A OG no hydrogen 3.268 N/A ILE 292.A N SER 289.A O no hydrogen 3.352 N/A PHE 295.A N ILE 292.A O no hydrogen 3.005 N/A PHE 296.A N GLU 293.A O no hydrogen 3.406 N/A ASN 297.A N LEU 204.A O no hydrogen 2.836 N/A ASN 297.A ND2 PRO 202.A O no hydrogen 3.411 N/A