Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a50_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE PRO 92.A O no hydrogen 2.874 N/A ARG 2.A NH1 ASP 123.A OD1 no hydrogen 2.828 N/A ARG 2.A NH2 PRO 92.A O no hydrogen 3.307 N/A TYR 3.A OH SER 124.A OG no hydrogen 2.832 N/A ASN 5.A N GLU 1.A O no hydrogen 2.915 N/A LEU 6.A N ARG 2.A O no hydrogen 2.916 N/A PHE 7.A N TYR 3.A O no hydrogen 2.840 N/A ALA 8.A N GLU 4.A O no hydrogen 2.927 N/A GLN 9.A N ASN 5.A O no hydrogen 2.999 N/A LEU 10.A N LEU 6.A O no hydrogen 2.947 N/A ASN 11.A N PHE 7.A O no hydrogen 3.161 N/A ASN 11.A ND2 ASP 12.A OD1 no hydrogen 3.473 N/A ASP 12.A N ALA 8.A O no hydrogen 3.229 N/A ARG 13.A N GLN 9.A O no hydrogen 3.097 N/A ARG 14.A N ASN 11.A O no hydrogen 3.051 N/A ARG 14.A NH1 ASP 12.A O no hydrogen 2.946 N/A GLU 15.A N LEU 10.A O no hydrogen 2.869 N/A GLY 16.A N SER 259.A O no hydrogen 2.722 N/A ALA 17.A N ALA 222.A O no hydrogen 2.713 N/A PHE 18.A N ASP 45.A OD2 no hydrogen 2.801 N/A VAL 19.A N ALA 224.A O no hydrogen 2.873 N/A PHE 21.A N SER 226.A O no hydrogen 2.955 N/A VAL 22.A N GLU 48.A O no hydrogen 3.290 N/A LEU 24.A N GLY 50.A O no hydrogen 2.816 N/A GLY 25.A N SER 32.A OG no hydrogen 3.061 N/A ASP 26.A N THR 23.A O no hydrogen 3.247 N/A SER 32.A N GLY 28.A O no hydrogen 2.847 N/A LEU 33.A N ILE 29.A O no hydrogen 2.984 N/A LYS 34.A N GLU 30.A O no hydrogen 3.225 N/A ILE 35.A N GLN 31.A O no hydrogen 2.828 N/A ILE 36.A N SER 32.A O no hydrogen 2.879 N/A ASP 37.A N LEU 33.A O no hydrogen 3.053 N/A THR 38.A N LYS 34.A O no hydrogen 3.018 N/A THR 38.A OG1 LYS 34.A O no hydrogen 3.028 N/A LEU 39.A N ILE 35.A O no hydrogen 2.994 N/A ILE 40.A N ILE 36.A O no hydrogen 3.189 N/A ASP 41.A N ASP 37.A O no hydrogen 3.031 N/A ALA 42.A N THR 38.A O no hydrogen 2.846 N/A GLY 43.A N ILE 40.A O no hydrogen 3.087 N/A ALA 44.A N LEU 39.A O no hydrogen 3.034 N/A ASP 45.A N PHE 18.A O no hydrogen 3.028 N/A LEU 47.A N PRO 95.A O no hydrogen 3.043 N/A GLU 48.A N PRO 20.A O no hydrogen 3.094 N/A LEU 49.A N GLY 97.A O no hydrogen 2.734 N/A GLY 50.A N VAL 22.A O no hydrogen 3.054 N/A SER 54.A OG ASP 55.A OD2 no hydrogen 2.519 N/A ALA 58.A N TYR 101.A OH no hydrogen 2.985 N/A ASP 59.A N PRO 56.A O no hydrogen 3.191 N/A GLY 60.A N THR 182.A OG1 no hydrogen 2.761 N/A GLN 64.A N GLY 60.A O no hydrogen 2.983 N/A GLN 64.A NE2 ASP 59.A O no hydrogen 2.773 N/A ASN 65.A N PRO 61.A O no hydrogen 2.894 N/A ALA 66.A N THR 62.A O no hydrogen 3.265 N/A ASN 67.A N ILE 63.A O no hydrogen 3.111 N/A ASN 67.A ND2 PHE 53.A O no hydrogen 3.049 N/A LEU 68.A N GLN 64.A O no hydrogen 3.240 N/A ARG 69.A N ASN 65.A O no hydrogen 2.867 N/A ARG 69.A NE ASP 26.A OD1 no hydrogen 2.712 N/A ARG 69.A NE ASP 26.A OD2 no hydrogen 3.396 N/A ARG 69.A NH2 ASP 26.A OD2 no hydrogen 2.825 N/A ALA 70.A N ALA 66.A O no hydrogen 2.936 N/A PHE 71.A N ASN 67.A O no hydrogen 2.876 N/A ALA 72.A N LEU 68.A O no hydrogen 2.779 N/A ALA 73.A N ALA 70.A O no hydrogen 2.871 N/A GLY 74.A N PHE 71.A O no hydrogen 2.661 N/A VAL 75.A N ALA 70.A O no hydrogen 3.200 N/A GLN 79.A N THR 76.A OG1 no hydrogen 3.334 N/A CYS 80.A N THR 76.A O no hydrogen 3.029 N/A CYS 80.A SG THR 76.A O no hydrogen 3.415 N/A PHE 81.A N PRO 77.A O no hydrogen 3.078 N/A GLU 82.A N ALA 78.A O no hydrogen 3.222 N/A MET 83.A N GLN 79.A O no hydrogen 2.971 N/A LEU 84.A N CYS 80.A O no hydrogen 2.755 N/A ALA 85.A N PHE 81.A O no hydrogen 3.166 N/A ALA 85.A N GLU 82.A O no hydrogen 3.218 N/A LEU 86.A N GLU 82.A O no hydrogen 3.215 N/A ILE 87.A N MET 83.A O no hydrogen 2.859 N/A ARG 88.A N LEU 84.A O no hydrogen 3.133 N/A ARG 88.A NE HIS 91.A O no hydrogen 3.278 N/A ARG 88.A NH1 ILE 94.A O no hydrogen 3.314 N/A ARG 88.A NH1 GLY 121.A O no hydrogen 2.873 N/A ARG 88.A NH1 ASP 123.A OD2 no hydrogen 3.030 N/A ARG 88.A NH2 HIS 91.A O no hydrogen 2.688 N/A ARG 88.A NH2 ILE 94.A O no hydrogen 2.488 N/A GLU 89.A N ALA 85.A O no hydrogen 2.951 N/A LYS 90.A N LEU 86.A O no hydrogen 3.176 N/A LYS 90.A N ILE 87.A O no hydrogen 3.109 N/A LYS 90.A NZ ASP 37.A OD1 no hydrogen 3.236 N/A LYS 90.A NZ ASP 37.A OD2 no hydrogen 2.735 N/A HIS 91.A N ILE 87.A O no hydrogen 2.957 N/A HIS 91.A NE2 ASP 37.A OD1 no hydrogen 2.900 N/A ILE 96.A N ASP 123.A OD2 no hydrogen 2.620 N/A GLY 97.A N LEU 47.A O no hydrogen 2.923 N/A LEU 98.A N SER 124.A O no hydrogen 2.895 N/A LEU 99.A N LEU 49.A O no hydrogen 2.752 N/A MET 100.A N LEU 126.A O no hydrogen 2.764 N/A TYR 101.A OH ASP 59.A OD2 no hydrogen 2.538 N/A ALA 102.A N ASP 129.A OD1 no hydrogen 2.614 N/A LEU 104.A N TYR 101.A O no hydrogen 3.257 N/A VAL 105.A N ALA 102.A O no hydrogen 3.036 N/A PHE 106.A N ALA 102.A O no hydrogen 2.857 N/A ASN 107.A N ASN 103.A O no hydrogen 2.644 N/A GLY 109.A N PHE 106.A O no hydrogen 2.896 N/A PHE 113.A N GLY 109.A O no hydrogen 3.187 N/A PHE 113.A N ILE 110.A O no hydrogen 3.076 N/A TYR 114.A N ILE 110.A O no hydrogen 3.377 N/A ALA 115.A N ASP 111.A O no hydrogen 3.005 N/A ARG 116.A N ALA 112.A O no hydrogen 3.211 N/A CYS 117.A N PHE 113.A O no hydrogen 3.044 N/A CYS 117.A SG PHE 113.A O no hydrogen 3.386 N/A GLU 118.A N TYR 114.A O no hydrogen 2.882 N/A GLN 119.A N ALA 115.A O no hydrogen 2.988 N/A VAL 120.A N ARG 116.A O no hydrogen 3.038 N/A VAL 120.A N CYS 117.A O no hydrogen 3.169 N/A GLY 121.A N CYS 117.A O no hydrogen 2.997 N/A GLY 121.A N GLU 118.A O no hydrogen 3.171 N/A VAL 122.A N CYS 117.A O no hydrogen 2.919 N/A ASP 123.A N ILE 96.A O no hydrogen 2.762 N/A SER 124.A N ILE 96.A O no hydrogen 3.091 N/A SER 124.A OG TYR 3.A OH no hydrogen 2.832 N/A VAL 125.A N ALA 148.A O no hydrogen 2.902 N/A LEU 126.A N LEU 98.A O no hydrogen 2.847 N/A ALA 128.A N MET 100.A O no hydrogen 2.751 N/A ASP 129.A N ASP 129.A OD1 no hydrogen 2.528 N/A VAL 130.A N VAL 127.A O no hydrogen 3.228 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.548 N/A GLU 134.A N PRO 131.A O no hydrogen 2.949 N/A SER 135.A N VAL 132.A O no hydrogen 3.258 N/A SER 135.A OG VAL 132.A O no hydrogen 2.782 N/A ARG 139.A N SER 135.A O no hydrogen 2.871 N/A ARG 139.A NE SER 135.A OG no hydrogen 3.223 N/A GLN 140.A N ALA 136.A O no hydrogen 3.110 N/A ALA 141.A N PRO 137.A O no hydrogen 3.262 N/A ALA 142.A N PHE 138.A O no hydrogen 2.957 N/A LEU 143.A N ARG 139.A O no hydrogen 2.761 N/A ARG 144.A N GLN 140.A O no hydrogen 2.913 N/A ARG 144.A NE ASP 111.A OD1 no hydrogen 3.089 N/A ARG 144.A NH2 ASP 111.A OD1 no hydrogen 2.796 N/A HIS 145.A N ALA 141.A O no hydrogen 3.194 N/A HIS 145.A N ALA 142.A O no hydrogen 3.086 N/A HIS 145.A ND1 ALA 141.A O no hydrogen 2.993 N/A ASN 146.A N LEU 143.A O no hydrogen 2.971 N/A ASN 146.A ND2 GLU 118.A OE2 no hydrogen 2.909 N/A ILE 147.A N ALA 142.A O no hydrogen 2.738 N/A ALA 148.A N ASP 123.A O no hydrogen 2.844 N/A ILE 150.A N VAL 125.A O no hydrogen 2.987 N/A CYS 153.A N TYR 174.A O no hydrogen 2.712 N/A ALA 157.A N PRO 154.A O no hydrogen 3.121 N/A ASP 160.A N ASP 158.A OD2 no hydrogen 3.239 N/A LEU 162.A N ASP 158.A O no hydrogen 3.140 N/A ARG 163.A N ASP 159.A O no hydrogen 2.966 N/A ARG 163.A NE ASP 159.A OD2 no hydrogen 2.689 N/A GLN 164.A N ASP 160.A O no hydrogen 3.129 N/A VAL 165.A N LEU 161.A O no hydrogen 2.822 N/A ALA 166.A N LEU 162.A O no hydrogen 2.974 N/A SER 167.A N ARG 163.A O no hydrogen 3.108 N/A SER 167.A OG ARG 163.A O no hydrogen 2.870 N/A SER 167.A OG GLN 164.A O no hydrogen 3.332 N/A TYR 168.A N GLN 164.A O no hydrogen 2.871 N/A GLY 169.A N VAL 165.A O no hydrogen 3.080 N/A TYR 172.A N ARG 170.A O no hydrogen 2.727 N/A TYR 172.A OH GLU 48.A OE1 no hydrogen 2.961 N/A THR 173.A N PRO 200.A O no hydrogen 2.812 N/A THR 173.A OG1 ALA 199.A O no hydrogen 2.772 N/A TYR 174.A N PHE 151.A O no hydrogen 3.041 N/A LEU 175.A N LEU 202.A O no hydrogen 2.755 N/A LEU 176.A N CYS 153.A O no hydrogen 3.008 N/A SER 177.A N GLY 204.A O no hydrogen 3.148 N/A SER 177.A OG GLY 204.A O no hydrogen 2.949 N/A SER 177.A OG PHE 205.A O no hydrogen 2.530 N/A ARG 178.A NE ASN 186.A O no hydrogen 3.075 N/A ARG 178.A NH1 SER 179.A O no hydrogen 2.916 N/A ARG 178.A NH1 VAL 181.A O no hydrogen 2.622 N/A ARG 178.A NH2 VAL 181.A O no hydrogen 2.754 N/A ARG 178.A NH2 GLY 183.A O no hydrogen 3.097 N/A THR 182.A N ALA 58.A O no hydrogen 3.466 N/A THR 182.A OG1 ASP 59.A OD1 no hydrogen 3.168 N/A GLU 191.A N HIS 187.A O no hydrogen 2.985 N/A LYS 192.A N HIS 188.A O no hydrogen 3.061 N/A LYS 192.A NZ GLU 195.A OE1 no hydrogen 2.900 N/A LYS 192.A NZ TYR 196.A OH no hydrogen 2.993 N/A LEU 193.A N LEU 189.A O no hydrogen 2.758 N/A LYS 194.A N ILE 190.A O no hydrogen 3.063 N/A LYS 194.A NZ GLY 220.A O no hydrogen 3.446 N/A GLU 195.A N GLU 191.A O no hydrogen 2.762 N/A TYR 196.A N LYS 192.A O no hydrogen 2.857 N/A TYR 196.A OH ASP 159.A OD1 no hydrogen 2.732 N/A HIS 197.A N LYS 194.A O no hydrogen 2.930 N/A ALA 198.A N LEU 193.A O no hydrogen 2.874 N/A LEU 202.A N THR 173.A O no hydrogen 2.825 N/A GLN 203.A N GLY 223.A O no hydrogen 3.086 N/A GLY 204.A N LEU 175.A O no hydrogen 2.810 N/A SER 208.A N GLN 212.A OE1 no hydrogen 2.801 N/A SER 208.A OG GLY 206.A O no hydrogen 3.448 N/A SER 208.A OG GLN 212.A OE1 no hydrogen 3.465 N/A SER 209.A N GLN 212.A OE1 no hydrogen 2.794 N/A SER 209.A OG GLN 212.A OE1 no hydrogen 2.991 N/A GLN 212.A N SER 209.A O no hydrogen 2.757 N/A GLN 212.A NE2 GLY 206.A O no hydrogen 3.188 N/A VAL 213.A N PRO 210.A O no hydrogen 3.229 N/A SER 214.A N PRO 210.A O no hydrogen 3.315 N/A SER 214.A OG PRO 210.A O no hydrogen 3.420 N/A SER 214.A OG ALA 258.A O no hydrogen 2.990 N/A ALA 215.A N GLU 211.A O no hydrogen 2.963 N/A ALA 216.A N GLN 212.A O no hydrogen 3.006 N/A VAL 217.A N VAL 213.A O no hydrogen 3.078 N/A ARG 218.A N SER 214.A O no hydrogen 2.940 N/A ALA 219.A N ALA 215.A O no hydrogen 2.815 N/A GLY 220.A N VAL 217.A O no hydrogen 3.076 N/A ALA 221.A N ALA 216.A O no hydrogen 3.046 N/A ALA 222.A N ALA 201.A O no hydrogen 2.799 N/A ALA 224.A N ALA 17.A O no hydrogen 2.915 N/A ILE 225.A N GLN 203.A O no hydrogen 2.764 N/A SER 226.A N VAL 19.A O no hydrogen 3.031 N/A SER 226.A OG ILE 207.A O no hydrogen 2.858 N/A ILE 230.A N GLY 227.A O no hydrogen 2.833 N/A VAL 231.A N GLY 227.A O no hydrogen 2.822 N/A LYS 232.A N SER 228.A O no hydrogen 2.786 N/A LYS 232.A NZ GLU 185.A OE1 no hydrogen 2.438 N/A ILE 233.A N ILE 230.A O no hydrogen 3.056 N/A GLU 235.A N VAL 231.A O no hydrogen 3.012 N/A LYS 236.A N LYS 232.A O no hydrogen 2.941 N/A LYS 236.A NZ GLU 247.A OE2 no hydrogen 3.441 N/A ASN 237.A N ILE 234.A O no hydrogen 3.085 N/A ASN 237.A ND2 ILE 233.A O no hydrogen 2.840 N/A LEU 238.A N GLU 235.A O no hydrogen 3.498 N/A SER 240.A N ASN 237.A O no hydrogen 2.820 N/A GLN 243.A NE2 ASN 237.A OD1 no hydrogen 3.582 N/A MET 244.A N SER 240.A O no hydrogen 3.065 N/A LEU 245.A N PRO 241.A O no hydrogen 3.036 N/A ALA 246.A N LYS 242.A O no hydrogen 3.076 N/A GLU 247.A N GLN 243.A O no hydrogen 2.837 N/A LEU 248.A N MET 244.A O no hydrogen 2.932 N/A ARG 249.A N LEU 245.A O no hydrogen 2.825 N/A ARG 249.A NH2 ASP 41.A OD2 no hydrogen 3.142 N/A SER 250.A N ALA 246.A O no hydrogen 3.049 N/A SER 250.A OG ALA 246.A O no hydrogen 3.269 N/A PHE 251.A N GLU 247.A O no hydrogen 2.993 N/A VAL 252.A N LEU 248.A O no hydrogen 3.005 N/A SER 253.A N ARG 249.A O no hydrogen 2.890 N/A SER 253.A OG ARG 249.A O no hydrogen 2.733 N/A SER 253.A OG SER 250.A O no hydrogen 2.985 N/A ALA 254.A N SER 250.A O no hydrogen 3.159 N/A MET 255.A N PHE 251.A O no hydrogen 2.951 N/A LYS 256.A N VAL 252.A O no hydrogen 2.820 N/A LYS 256.A NZ GLU 15.A OE2 no hydrogen 2.959 N/A LYS 256.A NZ GLY 16.A O no hydrogen 3.150 N/A LYS 256.A NZ ASP 45.A OD1 no hydrogen 3.383 N/A LYS 256.A NZ ASP 45.A OD2 no hydrogen 2.701 N/A ALA 257.A N SER 253.A O no hydrogen 2.848 N/A ALA 258.A N ALA 254.A O no hydrogen 3.281 N/A SER 259.A N LYS 256.A O no hydrogen 2.834 N/A SER 259.A OG GLY 16.A O no hydrogen 3.035 N/A SER 259.A OG LYS 256.A O no hydrogen 2.522 N/A ARG 260.A N ALA 257.A O no hydrogen 3.175 N/A