Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5if1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 2.A OE1 no hydrogen 3.290 N/A PHE 4.A N MET 1.A O no hydrogen 3.124 N/A GLN 5.A N ARG 22.A O no hydrogen 2.823 N/A GLN 5.A NE2 LYS 6.A O no hydrogen 3.621 N/A VAL 7.A N LYS 20.A O no hydrogen 2.978 N/A GLU 8.A N LYS 20.A O no hydrogen 3.364 N/A ILE 10.A N VAL 18.A O no hydrogen 2.804 N/A GLY 13.A N GLY 16.A O no hydrogen 2.914 N/A THR 14.A OG1 THR 14.A O no hydrogen 2.621 N/A GLY 16.A N LYS 34.A O no hydrogen 3.130 N/A VAL 18.A N GLY 11.A O no hydrogen 2.821 N/A TYR 19.A N LEU 32.A O no hydrogen 2.883 N/A LYS 20.A N GLU 8.A O no hydrogen 2.647 N/A ALA 21.A N VAL 30.A O no hydrogen 2.843 N/A ARG 22.A N GLN 5.A O no hydrogen 2.969 N/A ASN 23.A N GLU 28.A O no hydrogen 2.766 N/A LYS 24.A N ASN 3.A O no hydrogen 2.691 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.943 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.992 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.189 N/A GLY 27.A N ASN 23.A O no hydrogen 2.900 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.169 N/A VAL 30.A N ALA 21.A O no hydrogen 2.706 N/A ALA 31.A N PHE 80.A O no hydrogen 2.925 N/A LEU 32.A N TYR 19.A O no hydrogen 2.850 N/A LYS 33.A N LEU 78.A O no hydrogen 2.931 N/A LYS 33.A NZ GLU 51.A OE1 no hydrogen 3.332 N/A LYS 33.A NZ GLU 51.A OE2 no hydrogen 2.958 N/A LYS 34.A N VAL 17.A O no hydrogen 3.108 N/A LYS 34.A NZ TYR 19.A OH no hydrogen 3.323 N/A ILE 35.A N LEU 76.A O no hydrogen 2.908 N/A THR 47.A OG1 GLY 147.A O no hydrogen 2.772 N/A ILE 49.A N PRO 45.A O no hydrogen 2.960 N/A ARG 50.A N SER 46.A O no hydrogen 2.993 N/A GLU 51.A N THR 47.A O no hydrogen 2.942 N/A ILE 52.A N ALA 48.A O no hydrogen 2.895 N/A SER 53.A N ILE 49.A O no hydrogen 3.231 N/A SER 53.A OG ILE 49.A O no hydrogen 2.701 N/A SER 53.A OG ARG 50.A O no hydrogen 3.545 N/A LEU 54.A N ARG 50.A O no hydrogen 2.904 N/A LEU 55.A N GLU 51.A O no hydrogen 2.929 N/A LYS 56.A N ILE 52.A O no hydrogen 2.986 N/A GLU 57.A N LEU 54.A O no hydrogen 2.973 N/A LEU 58.A N LEU 55.A O no hydrogen 3.024 N/A HIS 60.A NE2 ASN 62.A OD1 no hydrogen 3.169 N/A ASN 62.A ND2 GLN 110.A OE1 no hydrogen 3.234 N/A ASN 62.A ND2 ILE 141.A O no hydrogen 3.103 N/A ILE 63.A N HIS 60.A O no hydrogen 3.011 N/A VAL 64.A N LEU 143.A O no hydrogen 3.104 N/A LYS 65.A N GLU 81.A OE1 no hydrogen 2.875 N/A LEU 67.A N VAL 79.A O no hydrogen 2.598 N/A ASP 68.A N VAL 79.A O no hydrogen 3.205 N/A ILE 70.A N TYR 77.A O no hydrogen 3.048 N/A THR 72.A N LYS 75.A O no hydrogen 2.855 N/A LYS 75.A NZ ASN 74.A OD1 no hydrogen 3.368 N/A LEU 76.A N ILE 35.A O no hydrogen 3.004 N/A TYR 77.A N ILE 70.A O no hydrogen 2.999 N/A LEU 78.A N LYS 33.A O no hydrogen 3.027 N/A VAL 79.A N ASP 68.A O no hydrogen 2.902 N/A PHE 80.A N ALA 31.A O no hydrogen 2.840 N/A GLU 81.A N LYS 65.A O no hydrogen 3.067 N/A GLN 85.A N ILE 135.A O no hydrogen 3.210 N/A LEU 87.A N LEU 133.A O no hydrogen 2.839 N/A LYS 89.A N ASP 86.A OD1 no hydrogen 2.796 N/A PHE 90.A N ASP 86.A O no hydrogen 3.053 N/A MET 91.A N LEU 87.A O no hydrogen 2.689 N/A ASP 92.A N LYS 88.A O no hydrogen 2.997 N/A ALA 93.A N LYS 89.A O no hydrogen 2.962 N/A SER 94.A N PHE 90.A O no hydrogen 2.902 N/A SER 94.A OG PHE 90.A O no hydrogen 2.662 N/A ALA 95.A N ASP 92.A O no hydrogen 3.135 N/A THR 97.A OG1 GLY 98.A O no hydrogen 3.408 N/A GLY 98.A N SER 94.A O no hydrogen 2.586 N/A LEU 103.A N PRO 100.A O no hydrogen 3.135 N/A ILE 104.A N PRO 100.A O no hydrogen 3.068 N/A LYS 105.A N LEU 101.A O no hydrogen 2.964 N/A LYS 105.A NZ PHE 285.A O no hydrogen 2.774 N/A LYS 105.A NZ ASP 288.A OD1 no hydrogen 3.082 N/A LYS 105.A NZ ASP 288.A OD2 no hydrogen 3.524 N/A SER 106.A N PRO 102.A O no hydrogen 3.072 N/A SER 106.A OG THR 290.A O no hydrogen 3.401 N/A TYR 107.A N LEU 103.A O no hydrogen 2.856 N/A LEU 108.A N ILE 104.A O no hydrogen 2.893 N/A PHE 109.A N LYS 105.A O no hydrogen 2.917 N/A GLN 110.A N SER 106.A O no hydrogen 2.832 N/A GLN 110.A NE2 SER 106.A O no hydrogen 3.460 N/A GLN 110.A NE2 SER 106.A OG no hydrogen 2.814 N/A GLN 110.A NE2 GLY 139.A O no hydrogen 3.072 N/A LEU 111.A N TYR 107.A O no hydrogen 2.806 N/A LEU 112.A N LEU 108.A O no hydrogen 2.973 N/A GLN 113.A N PHE 109.A O no hydrogen 3.124 N/A GLY 114.A N GLN 110.A O no hydrogen 3.125 N/A LEU 115.A N LEU 111.A O no hydrogen 2.987 N/A ALA 116.A N LEU 112.A O no hydrogen 2.739 N/A PHE 117.A N GLN 113.A O no hydrogen 3.322 N/A CYS 118.A N GLY 114.A O no hydrogen 3.018 N/A CYS 118.A SG GLY 114.A O no hydrogen 3.428 N/A HIS 119.A N LEU 115.A O no hydrogen 2.955 N/A HIS 119.A NE2 ASP 185.A OD2 no hydrogen 2.829 N/A SER 120.A N ALA 116.A O no hydrogen 2.843 N/A SER 120.A OG ALA 116.A O no hydrogen 3.187 N/A HIS 121.A N CYS 118.A O no hydrogen 3.158 N/A HIS 121.A ND1 PHE 117.A O no hydrogen 2.894 N/A ARG 122.A N HIS 119.A O no hydrogen 3.042 N/A ARG 122.A NH1 GLU 57.A OE1 no hydrogen 2.944 N/A ARG 122.A NH2 GLU 57.A OE1 no hydrogen 3.019 N/A ARG 122.A NH2 HIS 121.A O no hydrogen 2.734 N/A VAL 123.A N CYS 118.A O no hydrogen 2.732 N/A LEU 124.A N ARG 150.A O no hydrogen 2.863 N/A HIS 125.A N ASP 185.A OD2 no hydrogen 2.886 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.743 N/A ARG 126.A N ASP 185.A OD1 no hydrogen 2.900 N/A ARG 126.A NE LEU 148.A O no hydrogen 2.866 N/A ARG 126.A NH2 LEU 148.A O no hydrogen 3.232 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.166 N/A ASN 132.A N LYS 129.A O no hydrogen 2.858 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.892 N/A LEU 133.A N PRO 130.A O no hydrogen 3.161 N/A LEU 134.A N LYS 142.A O no hydrogen 2.894 N/A ILE 135.A N GLN 85.A O no hydrogen 2.689 N/A ASN 136.A N ALA 140.A O no hydrogen 3.352 N/A THR 137.A OG1 GLU 138.A OE1 no hydrogen 2.499 N/A GLY 139.A N ASN 136.A O no hydrogen 3.293 N/A GLY 139.A N ASN 136.A OD1 no hydrogen 2.846 N/A ALA 140.A N ASN 136.A OD1 no hydrogen 2.946 N/A ILE 141.A N GLN 110.A OE1 no hydrogen 3.032 N/A LYS 142.A N LEU 134.A O no hydrogen 2.775 N/A LYS 142.A NZ GLU 81.A OE1 no hydrogen 3.166 N/A LYS 142.A NZ GLU 81.A OE2 no hydrogen 2.939 N/A LEU 143.A N ASN 62.A O no hydrogen 2.814 N/A ALA 144.A N ASN 132.A O no hydrogen 2.909 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 3.252 N/A ALA 149.A N PHE 146.A O no hydrogen 3.094 N/A ARG 150.A N LEU 124.A O no hydrogen 2.997 N/A ARG 150.A NH2 GLU 162.A OE1 no hydrogen 2.880 N/A PHE 152.A N ARG 122.A O no hydrogen 2.812 N/A THR 158.A N LYS 178.A O no hydrogen 2.876 N/A THR 158.A OG1 CYS 177.A O no hydrogen 2.748 N/A THR 158.A OG1 LYS 178.A O no hydrogen 3.056 N/A GLU 162.A N TYR 159.A O no hydrogen 3.188 N/A TRP 167.A NE1 GLY 205.A O no hydrogen 3.085 N/A TYR 168.A N THR 165.A O no hydrogen 3.340 N/A TYR 168.A OH GLU 195.A OE1 no hydrogen 2.458 N/A ARG 169.A N LEU 166.A O no hydrogen 3.119 N/A ARG 169.A NE VAL 164.A O no hydrogen 3.018 N/A ARG 169.A NH2 VAL 164.A O no hydrogen 3.081 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.833 N/A ILE 173.A N ALA 170.A O no hydrogen 3.090 N/A LEU 174.A N ALA 170.A O no hydrogen 3.295 N/A LEU 175.A N PRO 171.A O no hydrogen 2.794 N/A GLY 176.A N ILE 173.A O no hydrogen 2.964 N/A CYS 177.A N GLU 172.A O no hydrogen 3.125 N/A CYS 177.A SG GLU 172.A O no hydrogen 3.268 N/A CYS 177.A SG TYR 179.A O no hydrogen 3.413 N/A TYR 180.A N VAL 156.A O no hydrogen 2.999 N/A ALA 183.A N SER 181.A OG no hydrogen 3.061 N/A VAL 184.A N SER 181.A O no hydrogen 3.197 N/A ASP 185.A N THR 182.A O no hydrogen 3.065 N/A TRP 187.A N ALA 183.A O no hydrogen 3.021 N/A SER 188.A N VAL 184.A O no hydrogen 3.398 N/A SER 188.A OG TYR 168.A O no hydrogen 2.728 N/A SER 188.A OG VAL 184.A O no hydrogen 3.153 N/A LEU 189.A N ASP 185.A O no hydrogen 3.022 N/A GLY 190.A N ILE 186.A O no hydrogen 2.688 N/A CYS 191.A N TRP 187.A O no hydrogen 3.006 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.340 N/A ILE 192.A N SER 188.A O no hydrogen 3.062 N/A PHE 193.A N LEU 189.A O no hydrogen 2.969 N/A ALA 194.A N GLY 190.A O no hydrogen 3.087 N/A GLU 195.A N CYS 191.A O no hydrogen 3.022 N/A MET 196.A N ILE 192.A O no hydrogen 2.868 N/A VAL 197.A N PHE 193.A O no hydrogen 3.264 N/A THR 198.A N ALA 194.A O no hydrogen 2.848 N/A THR 198.A OG1 ALA 194.A O no hydrogen 2.838 N/A THR 198.A OG1 ARG 200.A O no hydrogen 2.997 N/A ARG 199.A N GLU 195.A O no hydrogen 2.898 N/A ARG 199.A NH1 ALA 95.A O no hydrogen 2.656 N/A ARG 199.A NH1 LEU 96.A O no hydrogen 2.845 N/A ARG 200.A N THR 198.A OG1 no hydrogen 3.220 N/A ARG 200.A NH1 ALA 201.A O no hydrogen 2.588 N/A GLY 205.A N PHE 203.A O no hydrogen 3.229 N/A GLY 205.A N GLN 211.A OE1 no hydrogen 2.984 N/A ASP 206.A N ASP 210.A OD2 no hydrogen 2.703 N/A ASP 210.A N SER 207.A OG no hydrogen 3.017 N/A GLN 211.A N SER 207.A O no hydrogen 2.628 N/A GLN 211.A NE2 TRP 167.A O no hydrogen 3.474 N/A GLN 211.A NE2 PHE 203.A O no hydrogen 2.889 N/A LEU 212.A N GLU 208.A O no hydrogen 3.064 N/A PHE 213.A N ILE 209.A O no hydrogen 2.943 N/A ARG 214.A N ASP 210.A O no hydrogen 2.824 N/A ARG 214.A NE ASP 210.A OD1 no hydrogen 3.220 N/A ARG 214.A NE ASP 210.A OD2 no hydrogen 2.827 N/A ARG 214.A NH2 ASP 210.A OD2 no hydrogen 3.384 N/A ILE 215.A N GLN 211.A O no hydrogen 2.965 N/A PHE 216.A N LEU 212.A O no hydrogen 2.752 N/A ARG 217.A N PHE 213.A O no hydrogen 2.765 N/A THR 218.A N ARG 214.A O no hydrogen 3.330 N/A THR 218.A N ILE 215.A O no hydrogen 3.144 N/A THR 218.A OG1 ARG 214.A O no hydrogen 3.235 N/A LEU 219.A N ILE 215.A O no hydrogen 2.999 N/A GLY 220.A N PHE 216.A O no hydrogen 2.541 N/A THR 221.A N TRP 243.A O no hydrogen 2.988 N/A THR 221.A OG1 PRO 241.A O no hydrogen 2.671 N/A VAL 225.A N ASP 223.A OD1 no hydrogen 2.806 N/A VAL 226.A N ASP 223.A OD1 no hydrogen 3.016 N/A TRP 227.A N ASP 223.A O no hydrogen 2.977 N/A GLY 229.A N GLU 224.A OE1 no hydrogen 2.824 N/A VAL 230.A N TRP 227.A O no hydrogen 2.923 N/A THR 231.A N GLU 224.A OE2 no hydrogen 3.094 N/A THR 231.A OG1 GLU 224.A OE2 no hydrogen 2.973 N/A SER 232.A N GLY 229.A O no hydrogen 3.049 N/A MET 233.A N VAL 230.A O no hydrogen 3.279 N/A ASP 235.A N LEU 175.A O no hydrogen 3.025 N/A TYR 236.A N MET 233.A O no hydrogen 3.056 N/A PHE 240.A N LYS 237.A O no hydrogen 3.355 N/A LYS 242.A NZ PRO 238.A O no hydrogen 3.301 N/A LYS 242.A NZ PHE 240.A O no hydrogen 2.987 N/A TRP 243.A N THR 221.A OG1 no hydrogen 3.015 N/A ARG 245.A NH1 LEU 219.A O no hydrogen 3.306 N/A SER 249.A N ASP 247.A OD1 no hydrogen 3.365 N/A LYS 250.A N ASP 247.A O no hydrogen 2.771 N/A VAL 252.A N PHE 248.A O no hydrogen 3.182 N/A LEU 255.A N VAL 252.A O no hydrogen 3.009 N/A ASP 258.A N ASP 256.A OD2 no hydrogen 3.170 N/A GLY 259.A N ASP 256.A OD1 no hydrogen 3.205 N/A ARG 260.A N ASP 256.A O no hydrogen 3.146 N/A SER 261.A N GLU 257.A O no hydrogen 2.983 N/A SER 261.A OG GLN 265.A OE1 no hydrogen 3.070 N/A SER 261.A OG HIS 283.A NE2 no hydrogen 2.935 N/A LEU 262.A N ASP 258.A O no hydrogen 3.054 N/A LEU 263.A N GLY 259.A O no hydrogen 3.023 N/A SER 264.A N ARG 260.A O no hydrogen 2.875 N/A SER 264.A OG ARG 260.A O no hydrogen 2.660 N/A GLN 265.A N SER 261.A O no hydrogen 3.038 N/A MET 266.A N LEU 262.A O no hydrogen 2.865 N/A LEU 267.A N LEU 263.A O no hydrogen 2.909 N/A LEU 267.A N SER 264.A O no hydrogen 3.261 N/A HIS 268.A N GLN 265.A O no hydrogen 3.461 N/A TYR 269.A OH GLY 220.A O no hydrogen 2.793 N/A LYS 273.A N ASP 270.A O no hydrogen 2.857 N/A ARG 274.A NE HIS 268.A O no hydrogen 2.790 N/A ARG 274.A NH1 GLU 172.A OE1 no hydrogen 2.905 N/A ARG 274.A NH1 GLU 172.A OE2 no hydrogen 3.104 N/A ARG 274.A NH1 ALA 183.A O no hydrogen 3.097 N/A ARG 274.A NH2 GLU 172.A OE2 no hydrogen 2.691 N/A ARG 274.A NH2 HIS 268.A O no hydrogen 3.129 N/A ARG 274.A NH2 TYR 269.A O no hydrogen 3.037 N/A ILE 275.A N GLN 265.A O no hydrogen 3.225 N/A ALA 279.A N SER 276.A OG no hydrogen 2.916 N/A ALA 280.A N SER 276.A O no hydrogen 2.750 N/A LEU 281.A N ALA 277.A O no hydrogen 3.015 N/A ALA 282.A N ALA 279.A O no hydrogen 3.041 N/A HIS 283.A N ALA 280.A O no hydrogen 2.892 N/A HIS 283.A NE2 SER 261.A OG no hydrogen 2.935 N/A PHE 285.A N HIS 283.A ND1 no hydrogen 3.318 N/A PHE 286.A N HIS 283.A O no hydrogen 3.121 N/A GLN 287.A N PRO 284.A O no hydrogen 3.102 N/A VAL 289.A N PHE 286.A O no hydrogen 3.064 N/A