Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pe0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N LEU 1.A O no hydrogen 2.953 N/A SER 6.A N GLU 2.A O no hydrogen 3.004 N/A PHE 7.A N SER 3.A O no hydrogen 3.140 N/A VAL 8.A N LEU 4.A O no hydrogen 2.832 N/A ALA 9.A N HIS 5.A O no hydrogen 2.825 N/A ALA 10.A N SER 6.A O no hydrogen 2.948 N/A ALA 11.A N PHE 7.A O no hydrogen 2.913 N/A THR 12.A N VAL 8.A O no hydrogen 2.935 N/A THR 12.A OG1 VAL 8.A O no hydrogen 2.678 N/A LYS 13.A N ALA 9.A O no hydrogen 3.179 N/A GLU 14.A N ALA 10.A O no hydrogen 3.206 N/A LEU 15.A N ALA 11.A O no hydrogen 2.947 N/A MET 16.A N THR 12.A O no hydrogen 2.926 N/A TRP 17.A N LYS 13.A O no hydrogen 3.088 N/A LEU 18.A N GLU 14.A O no hydrogen 3.021 N/A ASN 19.A N LEU 15.A O no hydrogen 3.033 N/A GLU 20.A N MET 16.A O no hydrogen 2.947 N/A LYS 21.A N TRP 17.A O no hydrogen 2.920 N/A GLU 22.A N LEU 18.A O no hydrogen 2.915 N/A GLU 23.A N ASN 19.A O no hydrogen 3.123 N/A GLU 24.A N GLU 20.A O no hydrogen 3.140 N/A GLU 25.A N LYS 21.A O no hydrogen 3.021 N/A VAL 26.A N GLU 22.A O no hydrogen 2.926 N/A GLY 27.A N GLU 23.A O no hydrogen 3.382 N/A PHE 28.A N GLU 25.A O no hydrogen 3.338 N/A SER 31.A N ASP 29.A OD1 no hydrogen 3.397 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 2.691 N/A ASP 32.A N LEU 180.A O no hydrogen 3.217 N/A ASN 34.A N SER 31.A O no hydrogen 3.189 N/A ASN 34.A ND2 ASP 29.A O no hydrogen 2.676 N/A ASN 36.A N ASN 34.A OD1 no hydrogen 3.228 N/A MET 37.A N THR 35.A O no hydrogen 2.608 N/A ALA 39.A N ASN 36.A OD1 no hydrogen 3.307 N/A LYS 40.A N ASN 36.A O no hydrogen 3.137 N/A LYS 40.A NZ GLU 25.A OE1 no hydrogen 3.266 N/A LYS 40.A NZ GLU 25.A OE2 no hydrogen 2.893 N/A LYS 41.A N MET 37.A O no hydrogen 2.938 N/A GLU 42.A N THR 38.A O no hydrogen 2.985 N/A SER 43.A N ALA 39.A O no hydrogen 2.954 N/A TYR 44.A N LYS 40.A O no hydrogen 2.873 N/A TYR 44.A OH GLU 101.A OE2 no hydrogen 2.775 N/A SER 45.A N LYS 41.A O no hydrogen 2.945 N/A ALA 46.A N GLU 42.A O no hydrogen 2.986 N/A LEU 47.A N SER 43.A O no hydrogen 2.880 N/A MET 48.A N TYR 44.A O no hydrogen 2.920 N/A ARG 49.A N SER 45.A O no hydrogen 3.112 N/A GLU 50.A N ALA 46.A O no hydrogen 3.031 N/A LEU 51.A N LEU 47.A O no hydrogen 2.906 N/A GLU 52.A N MET 48.A O no hydrogen 3.011 N/A LEU 53.A N ARG 49.A O no hydrogen 3.402 N/A LYS 54.A N GLU 50.A O no hydrogen 2.945 N/A GLU 55.A N LEU 51.A O no hydrogen 2.855 N/A LYS 56.A N LEU 53.A O no hydrogen 3.188 N/A ILE 58.A N LYS 54.A O no hydrogen 3.059 N/A LYS 59.A N GLU 55.A O no hydrogen 2.975 N/A GLU 60.A N LYS 56.A O no hydrogen 2.971 N/A LEU 61.A N LYS 57.A O no hydrogen 2.894 N/A GLN 62.A N ILE 58.A O no hydrogen 2.958 N/A GLN 62.A NE2 GLN 83.A O no hydrogen 3.193 N/A ASN 63.A N LYS 59.A O no hydrogen 3.118 N/A ALA 64.A N GLU 60.A O no hydrogen 2.969 N/A GLY 65.A N LEU 61.A O no hydrogen 2.922 N/A ASP 66.A N GLN 62.A O no hydrogen 2.923 N/A ARG 67.A N ASN 63.A O no hydrogen 2.912 N/A LEU 68.A N ALA 64.A O no hydrogen 3.161 N/A LEU 69.A N GLY 65.A O no hydrogen 3.034 N/A LEU 69.A N ASP 66.A O no hydrogen 3.067 N/A ARG 70.A N ARG 67.A O no hydrogen 3.080 N/A HIS 73.A ND1 GLU 71.A O no hydrogen 3.133 N/A ARG 76.A NE GLU 80.A OE2 no hydrogen 3.022 N/A THR 78.A OG1 ALA 75.A O no hydrogen 3.240 N/A VAL 79.A N ALA 75.A O no hydrogen 3.113 N/A GLU 80.A N ARG 76.A O no hydrogen 2.838 N/A SER 81.A N PRO 77.A O no hydrogen 3.018 N/A PHE 82.A N THR 78.A O no hydrogen 3.139 N/A GLN 83.A N VAL 79.A O no hydrogen 2.920 N/A GLN 83.A NE2 GLN 62.A O no hydrogen 3.446 N/A GLN 83.A NE2 ASP 66.A OD1 no hydrogen 3.272 N/A ALA 84.A N GLU 80.A O no hydrogen 2.930 N/A ALA 85.A N SER 81.A O no hydrogen 3.003 N/A LEU 86.A N PHE 82.A O no hydrogen 3.018 N/A GLN 87.A N GLN 83.A O no hydrogen 3.136 N/A THR 88.A N ALA 84.A O no hydrogen 2.924 N/A THR 88.A OG1 ALA 84.A O no hydrogen 3.254 N/A GLN 89.A N ALA 85.A O no hydrogen 2.993 N/A GLN 89.A NE2 ASN 19.A OD1 no hydrogen 3.120 N/A GLN 89.A NE2 GLU 22.A OE2 no hydrogen 3.252 N/A TRP 90.A N LEU 86.A O no hydrogen 2.872 N/A SER 91.A N GLN 87.A O no hydrogen 3.023 N/A SER 91.A OG GLN 87.A O no hydrogen 3.154 N/A TRP 92.A N THR 88.A O no hydrogen 3.038 N/A TRP 92.A NE1 GLU 22.A OE1 no hydrogen 3.088 N/A MET 93.A N GLN 89.A O no hydrogen 2.933 N/A LEU 94.A N TRP 90.A O no hydrogen 3.289 N/A GLN 95.A N SER 91.A O no hydrogen 2.924 N/A LEU 96.A N TRP 92.A O no hydrogen 2.917 N/A CYS 97.A N MET 93.A O no hydrogen 3.036 N/A CYS 97.A SG MET 93.A O no hydrogen 3.574 N/A CYS 98.A N LEU 94.A O no hydrogen 3.062 N/A CYS 98.A SG LEU 94.A O no hydrogen 3.817 N/A CYS 98.A SG GLN 95.A OE1 no hydrogen 3.970 N/A CYS 99.A N GLN 95.A O no hydrogen 3.138 N/A CYS 99.A SG GLN 95.A O no hydrogen 3.430 N/A CYS 99.A SG VAL 237.A O no hydrogen 3.314 N/A ILE 100.A N LEU 96.A O no hydrogen 2.978 N/A GLU 101.A N CYS 97.A O no hydrogen 2.933 N/A ALA 102.A N CYS 98.A O no hydrogen 3.127 N/A HIS 103.A N CYS 99.A O no hydrogen 2.920 N/A HIS 103.A NE2 VAL 237.A O no hydrogen 2.867 N/A LEU 104.A N ILE 100.A O no hydrogen 2.942 N/A LYS 105.A N GLU 101.A O no hydrogen 3.141 N/A LYS 105.A NZ GLU 106.A OE1 no hydrogen 3.199 N/A GLU 106.A N ALA 102.A O no hydrogen 3.133 N/A ASN 107.A N HIS 103.A O no hydrogen 2.931 N/A ALA 108.A N LEU 104.A O no hydrogen 2.993 N/A ALA 109.A N LYS 105.A O no hydrogen 3.049 N/A TYR 110.A N GLU 106.A O no hydrogen 2.934 N/A PHE 111.A N ASN 107.A O no hydrogen 3.037 N/A GLN 112.A N ALA 108.A O no hydrogen 3.001 N/A GLN 112.A NE2 ASP 116.A OD2 no hydrogen 2.974 N/A PHE 113.A N ALA 109.A O no hydrogen 2.915 N/A PHE 114.A N TYR 110.A O no hydrogen 3.068 N/A SER 115.A N PHE 111.A O no hydrogen 3.000 N/A ASP 116.A N GLN 112.A O no hydrogen 2.973 N/A VAL 117.A N PHE 113.A O no hydrogen 2.975 N/A ARG 118.A N PHE 114.A O no hydrogen 3.004 N/A GLU 119.A N SER 115.A O no hydrogen 2.963 N/A ALA 120.A N ASP 116.A O no hydrogen 2.940 N/A GLU 121.A N VAL 117.A O no hydrogen 2.982 N/A GLY 122.A N ARG 118.A O no hydrogen 3.015 N/A GLN 123.A N GLU 119.A O no hydrogen 3.327 N/A LEU 124.A N ALA 120.A O no hydrogen 3.036 N/A GLN 125.A N GLU 121.A O no hydrogen 2.956 N/A LYS 126.A N GLY 122.A O no hydrogen 2.997 N/A LEU 127.A N GLN 123.A O no hydrogen 2.998 N/A GLN 128.A N LEU 124.A O no hydrogen 2.961 N/A GLU 129.A N GLN 125.A O no hydrogen 2.968 N/A ALA 130.A N LYS 126.A O no hydrogen 2.980 N/A LEU 131.A N LEU 127.A O no hydrogen 3.020 N/A ARG 132.A N GLN 128.A O no hydrogen 2.938 N/A ARG 133.A N GLU 129.A O no hydrogen 2.982 N/A LYS 134.A N ALA 130.A O no hydrogen 3.015 N/A TYR 135.A N LEU 131.A O no hydrogen 3.063 N/A SER 136.A OG ARG 132.A O no hydrogen 2.788 N/A CYS 137.A N ARG 133.A O no hydrogen 3.160 N/A ARG 139.A NH1 ASP 148.A OD1 no hydrogen 2.663 N/A ARG 139.A NH1 ASP 148.A OD2 no hydrogen 3.253 N/A SER 140.A OG ASP 138.A OD2 no hydrogen 2.741 N/A THR 144.A N ALA 141.A O no hydrogen 3.003 N/A THR 144.A OG1 ALA 141.A O no hydrogen 3.497 N/A ARG 145.A N ALA 141.A O no hydrogen 3.378 N/A LEU 146.A N THR 142.A O no hydrogen 2.971 N/A GLU 147.A N VAL 143.A O no hydrogen 2.995 N/A ASP 148.A N THR 144.A O no hydrogen 3.054 N/A LEU 149.A N ARG 145.A O no hydrogen 3.029 N/A LEU 150.A N LEU 146.A O no hydrogen 2.944 N/A GLN 151.A N ASP 148.A O no hydrogen 3.142 N/A GLU 156.A N ASP 152.A O no hydrogen 3.123 N/A LYS 157.A N ALA 153.A O no hydrogen 2.883 N/A LYS 157.A NZ ASN 161.A OD1 no hydrogen 3.013 N/A GLU 158.A N GLN 154.A O no hydrogen 3.009 N/A GLN 159.A N ASP 155.A O no hydrogen 3.027 N/A LEU 160.A N GLU 156.A O no hydrogen 3.068 N/A ASN 161.A N LYS 157.A O no hydrogen 3.024 N/A GLU 162.A N GLU 158.A O no hydrogen 3.013 N/A TYR 163.A N GLN 159.A O no hydrogen 3.044 N/A TYR 163.A OH ALA 120.A O no hydrogen 3.078 N/A TYR 163.A OH GLN 123.A OE1 no hydrogen 2.988 N/A LYS 164.A N LEU 160.A O no hydrogen 3.017 N/A GLY 165.A N ASN 161.A O no hydrogen 3.107 N/A HIS 166.A N GLU 162.A O no hydrogen 3.103 N/A LEU 167.A N TYR 163.A O no hydrogen 2.954 N/A SER 168.A N LYS 164.A O no hydrogen 3.040 N/A GLY 169.A N GLY 165.A O no hydrogen 3.047 N/A LEU 170.A N HIS 166.A O no hydrogen 3.027 N/A ALA 171.A N LEU 167.A O no hydrogen 2.997 N/A LYS 172.A N SER 168.A O no hydrogen 3.039 N/A ARG 173.A N GLY 169.A O no hydrogen 3.056 N/A ARG 173.A NH1 ASP 116.A OD2 no hydrogen 3.375 N/A ARG 173.A NH2 ASP 116.A OD2 no hydrogen 3.122 N/A ALA 174.A N LEU 170.A O no hydrogen 2.941 N/A LYS 175.A N LYS 172.A O no hydrogen 3.250 N/A ALA 176.A N ARG 173.A O no hydrogen 3.129 N/A VAL 177.A N ALA 174.A O no hydrogen 3.371 N/A GLN 179.A N VAL 241.A O no hydrogen 2.870 N/A GLN 179.A NE2 PRO 242.A O no hydrogen 3.278 N/A LYS 181.A NZ GLU 247.A OE1 no hydrogen 3.363 N/A LYS 181.A NZ GLU 247.A OE2 no hydrogen 3.146 N/A ARG 183.A N LEU 180.A O no hydrogen 3.404 N/A ARG 183.A NH1 PHE 239.A O no hydrogen 2.734 N/A ARG 183.A NH2 PHE 239.A O no hydrogen 2.809 N/A HIS 184.A N LYS 181.A O no hydrogen 3.378 N/A LEU 195.A N CYS 214.A O no hydrogen 2.782 N/A LEU 196.A N LEU 240.A O no hydrogen 2.759 N/A ALA 197.A N ASP 212.A O no hydrogen 2.825 N/A VAL 198.A N CYS 238.A O no hydrogen 2.804 N/A ASP 200.A N GLN 95.A OE1 no hydrogen 3.329 N/A TYR 201.A N VAL 208.A O no hydrogen 2.826 N/A GLN 203.A N VAL 206.A O no hydrogen 2.831 N/A VAL 208.A N TYR 201.A O no hydrogen 2.757 N/A LYS 210.A N ASP 200.A OD1 no hydrogen 2.962 N/A GLY 211.A N ALA 197.A O no hydrogen 2.794 N/A ASP 212.A N HIS 209.A O no hydrogen 2.804 N/A CYS 214.A N LEU 195.A O no hydrogen 2.806 N/A GLN 215.A N LEU 228.A O no hydrogen 2.826 N/A LEU 216.A N LEU 193.A O no hydrogen 2.786 N/A VAL 217.A N LYS 226.A O no hydrogen 2.785 N/A GLY 218.A N LYS 226.A O no hydrogen 2.892 N/A ALA 220.A N HIS 224.A O no hydrogen 2.980 N/A GLN 221.A N GLN 221.A OE1 no hydrogen 2.713 N/A HIS 224.A N GLN 221.A O no hydrogen 2.824 N/A HIS 224.A ND1 PRO 222.A O no hydrogen 3.220 N/A TRP 225.A N VAL 234.A O no hydrogen 2.776 N/A LYS 226.A N GLY 218.A O no hydrogen 2.755 N/A VAL 227.A N ALA 232.A O no hydrogen 2.782 N/A LEU 228.A N GLN 215.A O no hydrogen 2.785 N/A SER 229.A N SER 230.A O no hydrogen 2.786 N/A ALA 232.A N VAL 227.A O no hydrogen 2.852 N/A VAL 234.A N TRP 225.A O no hydrogen 2.790 N/A SER 236.A N SER 223.A O no hydrogen 2.811 N/A SER 236.A OG SER 223.A O no hydrogen 3.172 N/A CYS 238.A N PRO 235.A O no hydrogen 2.883 N/A CYS 238.A SG PRO 235.A O no hydrogen 3.519 N/A PHE 239.A N SER 236.A O no hydrogen 3.200 N/A LEU 240.A N LEU 196.A O no hydrogen 2.754 N/A ASN 245.A ND2 VAL 178.A O no hydrogen 3.036 N/A ALA 248.A N ASN 245.A OD1 no hydrogen 2.728 N/A GLN 249.A N ASN 245.A O no hydrogen 3.130 N/A GLU 250.A N GLN 246.A O no hydrogen 2.969 N/A ALA 251.A N GLU 247.A O no hydrogen 2.915 N/A VAL 252.A N ALA 248.A O no hydrogen 3.062 N/A THR 253.A N GLN 249.A O no hydrogen 3.013 N/A THR 253.A OG1 GLN 249.A O no hydrogen 3.073 N/A ARG 254.A N GLU 250.A O no hydrogen 2.930 N/A LEU 255.A N ALA 251.A O no hydrogen 3.041 N/A GLU 256.A N VAL 252.A O no hydrogen 2.975 N/A ALA 257.A N THR 253.A O no hydrogen 2.985 N/A GLN 258.A N ARG 254.A O no hydrogen 3.012 N/A HIS 259.A N LEU 255.A O no hydrogen 2.958 N/A HIS 259.A NE2 LEU 160.A O no hydrogen 3.218 N/A GLN 260.A N GLU 256.A O no hydrogen 2.972 N/A ALA 261.A N ALA 257.A O no hydrogen 3.012 N/A LEU 262.A N GLN 258.A O no hydrogen 2.989 N/A VAL 263.A N HIS 259.A O no hydrogen 2.936 N/A THR 264.A N GLN 260.A O no hydrogen 3.001 N/A THR 264.A OG1 GLN 260.A O no hydrogen 3.302 N/A LEU 265.A N ALA 261.A O no hydrogen 2.975 N/A TRP 266.A N LEU 262.A O no hydrogen 2.953 N/A TRP 266.A NE1 GLU 156.A OE1 no hydrogen 3.216 N/A HIS 267.A N VAL 263.A O no hydrogen 2.974 N/A GLN 268.A N THR 264.A O no hydrogen 2.975 N/A LEU 269.A N LEU 265.A O no hydrogen 3.017 N/A HIS 270.A N TRP 266.A O no hydrogen 2.942 N/A HIS 270.A N HIS 267.A O no hydrogen 3.329 N/A HIS 270.A ND1 TRP 266.A O no hydrogen 3.017 N/A VAL 271.A N HIS 267.A O no hydrogen 2.962 N/A