Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2i40_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 3.402 N/A GLN 5.A N ARG 22.A O no hydrogen 2.875 N/A VAL 7.A N LYS 20.A O no hydrogen 2.869 N/A GLU 8.A N LYS 20.A O no hydrogen 3.358 N/A ILE 10.A N VAL 18.A O no hydrogen 2.768 N/A GLY 11.A N VAL 18.A O no hydrogen 3.181 N/A GLY 13.A N GLY 16.A O no hydrogen 3.039 N/A GLY 16.A N GLY 13.A O no hydrogen 2.974 N/A VAL 17.A N LYS 34.A O no hydrogen 3.305 N/A VAL 18.A N GLY 11.A O no hydrogen 2.721 N/A TYR 19.A N LEU 32.A O no hydrogen 2.874 N/A LYS 20.A N GLU 8.A O no hydrogen 2.872 N/A ALA 21.A N VAL 30.A O no hydrogen 2.736 N/A ARG 22.A N GLN 5.A O no hydrogen 2.885 N/A ASN 23.A N GLU 28.A O no hydrogen 2.732 N/A LYS 24.A N ASN 3.A O no hydrogen 2.739 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.982 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.979 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.124 N/A GLY 27.A N ASN 23.A O no hydrogen 2.808 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.327 N/A VAL 30.A N ALA 21.A O no hydrogen 2.761 N/A ALA 31.A N PHE 77.A O no hydrogen 2.819 N/A LEU 32.A N TYR 19.A O no hydrogen 2.689 N/A LYS 33.A N LEU 75.A O no hydrogen 2.770 N/A LYS 33.A NZ GLU 48.A OE1 no hydrogen 2.817 N/A LYS 34.A N VAL 17.A O no hydrogen 2.973 N/A ILE 35.A N LEU 73.A O no hydrogen 2.828 N/A ILE 46.A N PRO 42.A O no hydrogen 3.099 N/A ARG 47.A N SER 43.A O no hydrogen 2.978 N/A GLU 48.A N THR 44.A O no hydrogen 2.751 N/A ILE 49.A N ALA 45.A O no hydrogen 2.927 N/A SER 50.A N ILE 46.A O no hydrogen 3.253 N/A SER 50.A OG ILE 46.A O no hydrogen 2.807 N/A SER 50.A OG ARG 47.A O no hydrogen 3.541 N/A LEU 51.A N ARG 47.A O no hydrogen 2.967 N/A LEU 52.A N GLU 48.A O no hydrogen 3.093 N/A LYS 53.A N ILE 49.A O no hydrogen 3.104 N/A GLU 54.A N LEU 51.A O no hydrogen 3.150 N/A LEU 55.A N LEU 52.A O no hydrogen 2.848 N/A ASN 59.A N HIS 57.A ND1 no hydrogen 2.922 N/A ASN 59.A ND2 GLN 107.A OE1 no hydrogen 3.101 N/A ASN 59.A ND2 ILE 138.A O no hydrogen 2.737 N/A ILE 60.A N HIS 57.A O no hydrogen 3.269 N/A VAL 61.A N LEU 140.A O no hydrogen 2.982 N/A LYS 62.A N GLU 78.A OE2 no hydrogen 3.209 N/A LEU 64.A N VAL 76.A O no hydrogen 2.637 N/A ASP 65.A N VAL 76.A O no hydrogen 3.314 N/A VAL 66.A N ASP 65.A OD1 no hydrogen 2.734 N/A ILE 67.A N TYR 74.A O no hydrogen 3.009 N/A THR 69.A OG1 LYS 72.A O no hydrogen 2.744 N/A LYS 72.A N THR 69.A OG1 no hydrogen 3.048 N/A LEU 73.A N ILE 35.A O no hydrogen 3.500 N/A TYR 74.A N ILE 67.A O no hydrogen 2.947 N/A LEU 75.A N LYS 33.A O no hydrogen 2.693 N/A VAL 76.A N ASP 65.A O no hydrogen 2.961 N/A PHE 77.A N ALA 31.A O no hydrogen 2.857 N/A GLU 78.A N LYS 62.A O no hydrogen 3.142 N/A HIS 81.A N ILE 132.A O no hydrogen 3.000 N/A GLN 82.A N ILE 132.A O no hydrogen 3.259 N/A LEU 84.A N LEU 130.A O no hydrogen 2.923 N/A LYS 85.A N PRO 127.A O no hydrogen 3.381 N/A LYS 86.A N ASP 83.A OD1 no hydrogen 2.703 N/A PHE 87.A N ASP 83.A O no hydrogen 3.072 N/A MET 88.A N LEU 84.A O no hydrogen 2.716 N/A ASP 89.A N LYS 85.A O no hydrogen 3.185 N/A ALA 90.A N LYS 86.A O no hydrogen 3.194 N/A SER 91.A N PHE 87.A O no hydrogen 2.983 N/A SER 91.A N MET 88.A O no hydrogen 3.284 N/A SER 91.A OG PHE 87.A O no hydrogen 2.890 N/A ALA 92.A N ASP 89.A O no hydrogen 3.111 N/A GLY 95.A N SER 91.A O no hydrogen 2.583 N/A LEU 100.A N PRO 97.A O no hydrogen 2.963 N/A ILE 101.A N PRO 97.A O no hydrogen 3.057 N/A LYS 102.A N LEU 98.A O no hydrogen 2.949 N/A LYS 102.A NZ PHE 279.A O no hydrogen 3.320 N/A LYS 102.A NZ ASP 282.A OD1 no hydrogen 2.670 N/A SER 103.A N PRO 99.A O no hydrogen 2.966 N/A SER 103.A OG THR 284.A O no hydrogen 3.388 N/A TYR 104.A N LEU 100.A O no hydrogen 2.865 N/A LEU 105.A N ILE 101.A O no hydrogen 2.858 N/A PHE 106.A N LYS 102.A O no hydrogen 2.880 N/A GLN 107.A N SER 103.A O no hydrogen 3.046 N/A GLN 107.A NE2 SER 103.A O no hydrogen 3.385 N/A GLN 107.A NE2 SER 103.A OG no hydrogen 3.051 N/A GLN 107.A NE2 GLY 136.A O no hydrogen 2.946 N/A LEU 108.A N TYR 104.A O no hydrogen 2.865 N/A LEU 109.A N LEU 105.A O no hydrogen 2.931 N/A GLN 110.A N PHE 106.A O no hydrogen 3.117 N/A GLY 111.A N GLN 107.A O no hydrogen 3.053 N/A LEU 112.A N LEU 108.A O no hydrogen 2.952 N/A ALA 113.A N LEU 109.A O no hydrogen 2.757 N/A PHE 114.A N GLN 110.A O no hydrogen 3.045 N/A CYS 115.A N GLY 111.A O no hydrogen 2.972 N/A CYS 115.A SG GLY 111.A O no hydrogen 3.414 N/A HIS 116.A N LEU 112.A O no hydrogen 2.820 N/A HIS 116.A NE2 ASP 179.A OD2 no hydrogen 2.896 N/A SER 117.A N ALA 113.A O no hydrogen 3.011 N/A SER 117.A OG ALA 113.A O no hydrogen 2.683 N/A SER 117.A OG PHE 114.A O no hydrogen 3.438 N/A HIS 118.A N PHE 114.A O no hydrogen 3.132 N/A HIS 118.A N CYS 115.A O no hydrogen 2.895 N/A HIS 118.A ND1 PHE 114.A O no hydrogen 2.677 N/A ARG 119.A N HIS 116.A O no hydrogen 3.151 N/A ARG 119.A NH1 GLU 54.A OE1 no hydrogen 2.493 N/A ARG 119.A NH1 HIS 118.A O no hydrogen 2.952 N/A ARG 119.A NH2 GLU 54.A OE2 no hydrogen 3.250 N/A VAL 120.A N CYS 115.A O no hydrogen 2.990 N/A LEU 121.A N ARG 147.A O no hydrogen 2.789 N/A HIS 122.A N ASP 179.A OD2 no hydrogen 2.844 N/A HIS 122.A NE2 ALA 141.A O no hydrogen 2.734 N/A ARG 123.A N ASP 179.A OD1 no hydrogen 2.767 N/A ARG 123.A NE LEU 145.A O no hydrogen 2.827 N/A ARG 123.A NH2 LEU 145.A O no hydrogen 2.931 N/A ASP 124.A N HIS 122.A ND1 no hydrogen 3.105 N/A LYS 126.A NZ GLN 128.A OE1 no hydrogen 3.185 N/A ASN 129.A N LYS 126.A O no hydrogen 2.734 N/A ASN 129.A ND2 ASP 124.A O no hydrogen 2.737 N/A LEU 130.A N PRO 127.A O no hydrogen 3.296 N/A LEU 131.A N LYS 139.A O no hydrogen 2.971 N/A ILE 132.A N GLN 82.A O no hydrogen 2.822 N/A ASN 133.A N ALA 137.A O no hydrogen 3.275 N/A THR 134.A OG1 GLU 135.A OE1.A no hydrogen 2.856 N/A THR 134.A OG1 GLU 135.A OE2.A no hydrogen 2.692 N/A GLU 135.A N.A ASN 133.A OD1 no hydrogen 3.128 N/A GLU 135.A N.B ASN 133.A OD1 no hydrogen 3.150 N/A ALA 137.A N ASN 133.A OD1 no hydrogen 2.915 N/A ILE 138.A N GLN 107.A OE1 no hydrogen 3.081 N/A LYS 139.A N LEU 131.A O no hydrogen 2.834 N/A LYS 139.A NZ GLU 78.A OE1 no hydrogen 2.992 N/A LYS 139.A NZ GLU 78.A OE2 no hydrogen 2.787 N/A LEU 140.A N ASN 59.A O no hydrogen 2.949 N/A ALA 141.A N ASN 129.A O no hydrogen 2.858 N/A GLY 144.A N ASP 142.A OD1 no hydrogen 3.184 N/A ALA 146.A N PHE 143.A O no hydrogen 3.273 N/A ARG 147.A N LEU 121.A O no hydrogen 2.999 N/A PHE 149.A N ARG 119.A O no hydrogen 2.758 N/A THR 155.A N LYS 172.A O no hydrogen 2.957 N/A THR 155.A OG1 CYS 171.A O no hydrogen 2.828 N/A THR 155.A OG1 LYS 172.A O no hydrogen 3.447 N/A TYR 162.A N THR 159.A O no hydrogen 3.447 N/A TYR 162.A OH GLU 189.A OE1 no hydrogen 2.436 N/A ARG 163.A N LEU 160.A O no hydrogen 2.903 N/A ARG 163.A NE VAL 158.A O no hydrogen 3.154 N/A ARG 163.A NH2 VAL 158.A O no hydrogen 2.755 N/A GLU 166.A N GLU 166.A OE2 no hydrogen 2.763 N/A ILE 167.A N ALA 164.A O no hydrogen 3.233 N/A LEU 168.A N ALA 164.A O no hydrogen 3.323 N/A LEU 169.A N PRO 165.A O no hydrogen 2.911 N/A GLY 170.A N ILE 167.A O no hydrogen 3.075 N/A CYS 171.A N GLU 166.A O no hydrogen 2.971 N/A CYS 171.A SG GLU 166.A O no hydrogen 3.101 N/A CYS 171.A SG TYR 173.A O no hydrogen 3.315 N/A TYR 174.A N VAL 153.A O no hydrogen 2.867 N/A ALA 177.A N SER 175.A OG no hydrogen 3.340 N/A VAL 178.A N SER 175.A O no hydrogen 3.084 N/A ASP 179.A N THR 176.A O no hydrogen 3.097 N/A TRP 181.A N ALA 177.A O no hydrogen 2.935 N/A SER 182.A N VAL 178.A O no hydrogen 3.317 N/A SER 182.A OG TYR 162.A O no hydrogen 2.789 N/A SER 182.A OG VAL 178.A O no hydrogen 3.351 N/A LEU 183.A N ASP 179.A O no hydrogen 3.079 N/A GLY 184.A N ILE 180.A O no hydrogen 2.948 N/A CYS 185.A N TRP 181.A O no hydrogen 3.107 N/A CYS 185.A SG TRP 161.A O no hydrogen 4.005 N/A CYS 185.A SG TRP 181.A O no hydrogen 3.403 N/A ILE 186.A N SER 182.A O no hydrogen 3.026 N/A PHE 187.A N LEU 183.A O no hydrogen 2.740 N/A ALA 188.A N GLY 184.A O no hydrogen 3.083 N/A GLU 189.A N CYS 185.A O no hydrogen 3.072 N/A MET 190.A N ILE 186.A O no hydrogen 2.972 N/A VAL 191.A N PHE 187.A O no hydrogen 3.193 N/A THR 192.A N ALA 188.A O no hydrogen 2.867 N/A THR 192.A OG1 ALA 188.A O no hydrogen 2.891 N/A THR 192.A OG1 ARG 194.A O no hydrogen 2.977 N/A ARG 193.A N GLU 189.A O no hydrogen 2.872 N/A ARG 193.A NH1 ALA 92.A O no hydrogen 3.190 N/A ARG 194.A N THR 192.A OG1 no hydrogen 3.205 N/A GLY 199.A N PHE 197.A O no hydrogen 3.231 N/A GLY 199.A N GLN 205.A OE1 no hydrogen 2.855 N/A ASP 200.A N ASP 204.A OD2 no hydrogen 2.834 N/A ASP 204.A N SER 201.A OG no hydrogen 3.172 N/A GLN 205.A N SER 201.A O no hydrogen 2.733 N/A GLN 205.A NE2 TRP 161.A O no hydrogen 3.529 N/A GLN 205.A NE2 PHE 197.A O no hydrogen 2.849 N/A LEU 206.A N GLU 202.A O no hydrogen 3.132 N/A PHE 207.A N ILE 203.A O no hydrogen 3.108 N/A ARG 208.A N ASP 204.A O no hydrogen 3.040 N/A ARG 208.A NE ASP 204.A OD2 no hydrogen 2.911 N/A ARG 208.A NH2 ASP 204.A OD2 no hydrogen 3.567 N/A ILE 209.A N GLN 205.A O no hydrogen 3.059 N/A PHE 210.A N LEU 206.A O no hydrogen 2.759 N/A ARG 211.A N PHE 207.A O no hydrogen 2.882 N/A THR 212.A N ARG 208.A O no hydrogen 3.340 N/A THR 212.A OG1 ARG 208.A O no hydrogen 3.324 N/A LEU 213.A N ILE 209.A O no hydrogen 2.853 N/A GLY 214.A N PHE 210.A O no hydrogen 2.764 N/A THR 215.A N TRP 237.A O no hydrogen 3.070 N/A THR 215.A OG1 PRO 235.A O no hydrogen 2.777 N/A VAL 220.A N ASP 217.A OD1 no hydrogen 3.031 N/A TRP 221.A N ASP 217.A O no hydrogen 2.947 N/A GLY 223.A N GLU 218.A OE1 no hydrogen 2.730 N/A VAL 224.A N TRP 221.A O no hydrogen 3.157 N/A THR 225.A N GLU 218.A OE2 no hydrogen 3.194 N/A THR 225.A OG1 GLU 218.A OE2 no hydrogen 2.482 N/A SER 226.A N GLY 223.A O no hydrogen 3.030 N/A MET 227.A N VAL 224.A O no hydrogen 3.249 N/A ASP 229.A N LEU 169.A O no hydrogen 2.916 N/A TYR 230.A N MET 227.A O no hydrogen 3.033 N/A PHE 234.A N LYS 231.A O no hydrogen 3.089 N/A TRP 237.A N THR 215.A OG1 no hydrogen 2.840 N/A ARG 239.A NH1 LEU 213.A O no hydrogen 3.134 N/A GLN 240.A N THR 212.A O no hydrogen 2.953 N/A SER 243.A N ASP 241.A OD1 no hydrogen 2.971 N/A SER 243.A OG ASP 241.A OD1 no hydrogen 2.867 N/A LYS 244.A N ASP 241.A O no hydrogen 3.028 N/A VAL 245.A N PHE 242.A O no hydrogen 3.080 N/A VAL 246.A N PHE 242.A O no hydrogen 2.905 N/A LEU 249.A N VAL 246.A O no hydrogen 3.133 N/A GLY 253.A N ASP 250.A OD1 no hydrogen 3.220 N/A ARG 254.A N ASP 250.A O no hydrogen 3.078 N/A SER 255.A N GLU 251.A O no hydrogen 2.978 N/A SER 255.A OG GLN 259.A OE1 no hydrogen 3.318 N/A SER 255.A OG HIS 277.A NE2 no hydrogen 3.006 N/A LEU 256.A N ASP 252.A O no hydrogen 3.000 N/A LEU 257.A N GLY 253.A O no hydrogen 2.864 N/A SER 258.A N ARG 254.A O no hydrogen 3.043 N/A SER 258.A OG ARG 254.A O no hydrogen 3.019 N/A SER 258.A OG SER 255.A O no hydrogen 2.962 N/A GLN 259.A N SER 255.A O no hydrogen 3.111 N/A MET 260.A N LEU 256.A O no hydrogen 2.846 N/A LEU 261.A N LEU 257.A O no hydrogen 2.877 N/A LEU 261.A N SER 258.A O no hydrogen 3.264 N/A HIS 262.A N GLN 259.A O no hydrogen 3.462 N/A TYR 263.A OH GLY 214.A O no hydrogen 2.540 N/A ASN 266.A N ASP 264.A OD1 no hydrogen 2.937 N/A LYS 267.A N ASP 264.A O no hydrogen 2.888 N/A ARG 268.A N ASP 264.A O no hydrogen 3.023 N/A ARG 268.A NE HIS 262.A O no hydrogen 2.781 N/A ARG 268.A NH1 GLU 166.A OE1 no hydrogen 2.921 N/A ARG 268.A NH1 GLU 166.A OE2 no hydrogen 3.467 N/A ARG 268.A NH1 ALA 177.A O no hydrogen 2.970 N/A ARG 268.A NH2 GLU 166.A OE1 no hydrogen 3.544 N/A ARG 268.A NH2 GLU 166.A OE2 no hydrogen 2.790 N/A ARG 268.A NH2 HIS 262.A O no hydrogen 3.189 N/A ARG 268.A NH2 TYR 263.A O no hydrogen 3.018 N/A ILE 269.A N GLN 259.A O no hydrogen 3.280 N/A ALA 273.A N SER 270.A OG no hydrogen 3.158 N/A ALA 274.A N SER 270.A O no hydrogen 2.891 N/A LEU 275.A N ALA 271.A O no hydrogen 3.164 N/A ALA 276.A N ALA 273.A O no hydrogen 3.235 N/A HIS 277.A N ALA 274.A O no hydrogen 3.137 N/A HIS 277.A NE2 SER 255.A OG no hydrogen 3.006 N/A PHE 279.A N HIS 277.A ND1 no hydrogen 3.196 N/A PHE 280.A N HIS 277.A O no hydrogen 2.946 N/A GLN 281.A N PRO 278.A O no hydrogen 3.162 N/A VAL 283.A N PHE 280.A O no hydrogen 3.365 N/A LYS 285.A NZ GLU 135.A O.A no hydrogen 3.445 N/A