Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2orr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG THR 7.A O no hydrogen 3.398 N/A THR 7.A N SER 5.A OG no hydrogen 3.356 N/A ARG 8.A N TYR 279.A O no hydrogen 2.900 N/A ARG 8.A NH1 GLU 228.A OE2 no hydrogen 2.818 N/A ARG 11.A NE GLU 228.A OE1 no hydrogen 2.691 N/A ARG 11.A NH1 LYS 13.A O no hydrogen 3.136 N/A ARG 11.A NH1 SER 132.A O no hydrogen 3.405 N/A ARG 11.A NH2 GLU 228.A OE1 no hydrogen 2.879 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.764 N/A GLU 19.A N PRO 16.A O no hydrogen 2.828 N/A LEU 20.A N PRO 16.A O no hydrogen 2.866 N/A LEU 21.A N LEU 17.A O no hydrogen 2.877 N/A ALA 24.A N LEU 20.A O no hydrogen 2.864 N/A ILE 25.A N LEU 21.A O no hydrogen 3.006 N/A GLU 26.A N PRO 22.A O no hydrogen 3.019 N/A PHE 27.A N HIS 23.A O no hydrogen 3.068 N/A ILE 28.A N ALA 24.A O no hydrogen 2.912 N/A ASN 29.A N ILE 25.A O no hydrogen 3.028 N/A GLN 30.A N GLU 26.A O no hydrogen 3.105 N/A GLN 30.A NE2 SER 274.A O no hydrogen 3.330 N/A TYR 31.A N PHE 27.A O no hydrogen 2.887 N/A TYR 31.A OH ASP 65.A OD1 no hydrogen 3.380 N/A TYR 32.A N ILE 28.A O no hydrogen 3.024 N/A GLY 33.A N ASN 29.A O no hydrogen 2.770 N/A SER 34.A N TYR 31.A O no hydrogen 3.086 N/A SER 34.A OG TYR 31.A O no hydrogen 2.610 N/A PHE 35.A N TYR 32.A O no hydrogen 3.023 N/A LYS 36.A N GLY 33.A O no hydrogen 2.981 N/A ALA 38.A N PHE 35.A O no hydrogen 2.893 N/A LYS 39.A NZ GLU 42.A OE2 no hydrogen 3.505 N/A HIS 43.A N LYS 39.A O no hydrogen 3.048 N/A LEU 44.A N ILE 40.A O no hydrogen 3.067 N/A ALA 45.A N GLU 41.A O no hydrogen 3.054 N/A ARG 46.A N GLU 42.A O no hydrogen 3.025 N/A ARG 46.A NE GLU 66.A OE2 no hydrogen 2.701 N/A ARG 46.A NH2 GLN 61.A O no hydrogen 2.895 N/A ARG 46.A NH2 GLU 66.A OE1 no hydrogen 2.863 N/A ARG 46.A NH2 GLU 66.A OE2 no hydrogen 3.535 N/A LEU 47.A N HIS 43.A O no hydrogen 2.967 N/A GLU 48.A N LEU 44.A O no hydrogen 2.965 N/A ALA 49.A N ALA 45.A O no hydrogen 2.972 N/A VAL 50.A N ARG 46.A O no hydrogen 2.893 N/A THR 51.A N LEU 47.A O no hydrogen 3.164 N/A THR 51.A OG1 LEU 47.A O no hydrogen 2.685 N/A LYS 52.A N GLU 48.A O no hydrogen 3.245 N/A GLU 53.A N ALA 49.A O no hydrogen 3.133 N/A ILE 54.A N VAL 50.A O no hydrogen 2.893 N/A GLU 55.A N THR 51.A O no hydrogen 2.885 N/A THR 56.A N LYS 52.A O no hydrogen 2.962 N/A THR 56.A OG1 LYS 52.A O no hydrogen 2.753 N/A THR 56.A OG1 GLU 53.A O no hydrogen 3.334 N/A THR 57.A N GLU 53.A O no hydrogen 2.808 N/A THR 57.A OG1 GLU 53.A O no hydrogen 2.483 N/A GLY 58.A N ILE 54.A O no hydrogen 2.831 N/A THR 59.A N THR 57.A OG1 no hydrogen 3.265 N/A THR 59.A OG1 TYR 60.A O no hydrogen 3.535 N/A TYR 60.A N THR 59.A OG1 no hydrogen 2.628 N/A TYR 60.A OH GLY 225.A O no hydrogen 2.917 N/A GLN 61.A N GLU 53.A OE1 no hydrogen 2.915 N/A THR 63.A N GLU 66.A OE1 no hydrogen 3.014 N/A GLU 66.A N THR 63.A OG1 no hydrogen 2.963 N/A LEU 67.A N THR 63.A O no hydrogen 2.879 N/A ILE 68.A N LEU 64.A O no hydrogen 2.911 N/A PHE 69.A N ASP 65.A O no hydrogen 3.125 N/A ALA 70.A N GLU 66.A O no hydrogen 2.927 N/A THR 71.A N LEU 67.A O no hydrogen 2.977 N/A THR 71.A OG1 ILE 68.A O no hydrogen 2.883 N/A LYS 72.A N ILE 68.A O no hydrogen 3.145 N/A LYS 72.A NZ SER 88.A O no hydrogen 3.552 N/A MET 73.A N PHE 69.A O no hydrogen 2.969 N/A ALA 74.A N ALA 70.A O no hydrogen 2.916 N/A TRP 75.A N THR 71.A O no hydrogen 3.214 N/A ARG 76.A N LYS 72.A O no hydrogen 2.945 N/A ASN 77.A N MET 73.A O no hydrogen 2.821 N/A ASN 77.A ND2 PRO 275.A O no hydrogen 2.857 N/A ALA 78.A N TRP 75.A O no hydrogen 3.042 N/A CYS 81.A N ALA 78.A O no hydrogen 3.353 N/A ARG 84.A N CYS 81.A O no hydrogen 3.265 N/A ARG 84.A NH2 PRO 79.A O no hydrogen 3.530 N/A GLN 86.A N GLY 83.A O no hydrogen 3.175 N/A GLN 86.A NE2 GLY 83.A O no hydrogen 3.176 N/A SER 88.A N HIS 266.A ND1 no hydrogen 3.343 N/A SER 88.A OG HIS 266.A ND1 no hydrogen 2.603 N/A SER 88.A OG HIS 266.A O no hydrogen 3.544 N/A ASN 89.A N GLN 86.A O no hydrogen 3.095 N/A ASN 89.A ND2 GLN 86.A OE1 no hydrogen 2.971 N/A ASN 89.A ND2 SER 262.A O no hydrogen 2.941 N/A LEU 90.A N SER 88.A O no hydrogen 2.992 N/A GLN 91.A N SER 123.A O no hydrogen 3.048 N/A GLN 91.A NE2 TYR 114.A OH no hydrogen 3.416 N/A PHE 93.A N ILE 125.A O no hydrogen 2.754 N/A ALA 95.A N VAL 127.A O no hydrogen 2.892 N/A ARG 96.A N ASP 94.A OD1 no hydrogen 3.036 N/A ARG 96.A NE ASP 94.A OD1 no hydrogen 2.946 N/A ARG 96.A NE ASP 94.A OD2 no hydrogen 3.449 N/A ARG 96.A NH1 LEU 62.A O no hydrogen 2.885 N/A ARG 96.A NH2 ASP 94.A OD2 no hydrogen 2.906 N/A CYS 98.A N ALA 95.A O no hydrogen 2.975 N/A CYS 98.A SG THR 100.A O no hydrogen 3.751 N/A SER 99.A N GLU 103.A OE1 no hydrogen 2.744 N/A SER 99.A OG GLU 103.A OE1 no hydrogen 2.860 N/A THR 100.A N GLU 103.A OE1 no hydrogen 3.249 N/A GLU 103.A N THR 100.A OG1 no hydrogen 3.144 N/A MET 104.A N THR 100.A O no hydrogen 2.923 N/A PHE 105.A N ALA 101.A O no hydrogen 2.849 N/A GLN 106.A N GLN 102.A O no hydrogen 3.163 N/A HIS 107.A N GLU 103.A O no hydrogen 3.023 N/A ILE 108.A N MET 104.A O no hydrogen 2.961 N/A CYS 109.A N PHE 105.A O no hydrogen 2.987 N/A CYS 109.A SG PHE 105.A O no hydrogen 3.435 N/A ARG 110.A N GLN 106.A O no hydrogen 3.060 N/A HIS 111.A N HIS 107.A O no hydrogen 2.948 N/A HIS 111.A ND1 THR 126.A OG1 no hydrogen 2.771 N/A HIS 111.A NE2 ASN 235.A OD1 no hydrogen 2.784 N/A ILE 112.A N ILE 108.A O no hydrogen 2.892 N/A LEU 113.A N CYS 109.A O no hydrogen 2.982 N/A TYR 114.A N ARG 110.A O no hydrogen 2.963 N/A ALA 115.A N HIS 111.A O no hydrogen 2.852 N/A THR 116.A N ILE 112.A O no hydrogen 2.939 N/A THR 116.A OG1 ILE 112.A O no hydrogen 2.676 N/A ASN 117.A N LEU 113.A O no hydrogen 3.081 N/A GLY 119.A N THR 116.A O no hydrogen 2.671 N/A ASN 120.A N ASN 117.A O no hydrogen 3.061 N/A ILE 121.A N THR 252.A OG1 no hydrogen 3.319 N/A ARG 122.A N ALA 115.A O no hydrogen 2.864 N/A ARG 122.A NE TYR 114.A O no hydrogen 3.082 N/A ARG 122.A NH2 TYR 114.A O no hydrogen 2.989 N/A ILE 125.A N GLN 91.A O no hydrogen 2.810 N/A THR 126.A N PRO 233.A O no hydrogen 3.046 N/A THR 126.A OG1 HIS 111.A ND1 no hydrogen 2.771 N/A VAL 127.A N PHE 93.A O no hydrogen 2.973 N/A PHE 128.A N ALA 231.A O no hydrogen 3.172 N/A GLN 130.A NE2 TYR 60.A O no hydrogen 3.031 N/A ARG 131.A N GLU 228.A O no hydrogen 2.721 N/A ARG 131.A NE ASP 137.A OD1 no hydrogen 3.029 N/A ARG 131.A NE ASP 137.A OD2 no hydrogen 3.193 N/A ARG 131.A NH1 GLY 9.A O no hydrogen 3.139 N/A ARG 131.A NH1 GLU 228.A OE1 no hydrogen 2.905 N/A ARG 131.A NH2 ASP 137.A OD2 no hydrogen 2.732 N/A LYS 135.A N ASP 133.A OD1 no hydrogen 2.682 N/A HIS 136.A ND1 ASP 133.A OD1 no hydrogen 2.948 N/A ARG 139.A N GLN 186.A O no hydrogen 3.040 N/A ARG 139.A NH2 ILE 281.A O no hydrogen 3.059 N/A TRP 141.A N VAL 184.A O no hydrogen 2.985 N/A TRP 141.A NE1 GLN 186.A OE1 no hydrogen 2.973 N/A ASN 142.A ND2 PRO 182.A O no hydrogen 2.802 N/A GLN 144.A NE2 TYR 212.A OH no hydrogen 2.832 N/A LEU 145.A N ALA 216.A O no hydrogen 3.082 N/A ARG 147.A NE ASP 156.A OD2 no hydrogen 3.131 N/A ARG 147.A NH1 SER 143.A OG no hydrogen 2.821 N/A TYR 148.A OH GLU 204.A OE2 no hydrogen 2.684 N/A ALA 149.A N ASP 179.A O no hydrogen 2.656 N/A GLY 150.A N THR 163.A OG1 no hydrogen 2.898 N/A TYR 151.A N ARG 154.A O no hydrogen 2.781 N/A TYR 151.A OH ASP 179.A OD2 no hydrogen 2.877 N/A ARG 154.A N TYR 151.A O no hydrogen 3.041 N/A ASP 156.A N ALA 149.A O no hydrogen 3.064 N/A ALA 158.A N ASP 156.A OD1 no hydrogen 3.101 N/A THR 159.A OG1 TYR 148.A O no hydrogen 3.054 N/A THR 159.A OG1 ASP 156.A O no hydrogen 3.104 N/A THR 159.A OG1 THR 163.A OG1 no hydrogen 3.307 N/A LEU 160.A N ALA 157.A O no hydrogen 3.473 N/A THR 163.A N THR 159.A O no hydrogen 2.667 N/A THR 163.A OG1 GLY 150.A O no hydrogen 3.241 N/A THR 163.A OG1 THR 159.A O no hydrogen 3.060 N/A THR 163.A OG1 THR 159.A OG1 no hydrogen 3.307 N/A GLN 164.A N LEU 160.A O no hydrogen 3.132 N/A GLN 164.A NE2 GLN 164.A O no hydrogen 3.356 N/A GLN 164.A NE2 ASP 168.A OD1 no hydrogen 3.248 N/A LEU 165.A N GLU 161.A O no hydrogen 3.042 N/A CYS 166.A N PHE 162.A O no hydrogen 2.910 N/A CYS 166.A SG PHE 162.A O no hydrogen 3.438 N/A ILE 167.A N THR 163.A O no hydrogen 3.037 N/A ASP 168.A N GLN 164.A O no hydrogen 2.839 N/A LEU 169.A N LEU 165.A O no hydrogen 3.113 N/A LEU 169.A N CYS 166.A O no hydrogen 2.871 N/A GLY 170.A N ILE 167.A O no hydrogen 3.067 N/A TRP 171.A N CYS 166.A O no hydrogen 3.019 N/A TRP 171.A NE1 GLU 196.A OE2 no hydrogen 3.195 N/A GLY 176.A N ASP 179.A OD2 no hydrogen 3.123 N/A LEU 181.A N ARG 147.A O no hydrogen 2.822 N/A LEU 183.A N PHE 195.A O no hydrogen 2.694 N/A VAL 184.A N ASN 142.A OD1 no hydrogen 2.818 N/A LEU 185.A N GLU 193.A O no hydrogen 2.867 N/A GLN 186.A N ARG 139.A O no hydrogen 2.958 N/A GLN 186.A NE2 ASP 137.A O no hydrogen 2.761 N/A GLY 189.A N ASP 137.A O no hydrogen 2.856 N/A GLN 190.A N ALA 187.A O no hydrogen 2.953 N/A GLU 193.A N LEU 185.A O no hydrogen 2.844 N/A PHE 195.A N LEU 183.A O no hydrogen 2.783 N/A LEU 201.A N PRO 198.A O no hydrogen 2.720 N/A VAL 202.A N PRO 199.A O no hydrogen 3.061 N/A VAL 205.A N TRP 211.A O no hydrogen 2.763 N/A THR 206.A N GLN 249.A OE1 no hydrogen 3.235 N/A MET 207.A N LEU 209.A O no hydrogen 3.311 N/A GLU 208.A N SER 245.A OG no hydrogen 2.887 N/A LYS 210.A NZ GLU 204.A OE1 no hydrogen 2.833 N/A TRP 211.A N VAL 205.A O no hydrogen 3.085 N/A ALA 213.A N LEU 203.A O no hydrogen 2.999 N/A VAL 217.A N PHE 234.A O no hydrogen 2.732 N/A ALA 218.A N SER 143.A O no hydrogen 2.931 N/A LEU 221.A N TYR 278.A O no hydrogen 2.837 N/A LEU 222.A N PHE 229.A O no hydrogen 3.047 N/A GLU 223.A N PHE 276.A O no hydrogen 2.912 N/A VAL 224.A N LEU 227.A O no hydrogen 2.920 N/A GLY 226.A N GLU 223.A OE2 no hydrogen 3.052 N/A LEU 227.A N VAL 224.A O no hydrogen 2.860 N/A PHE 229.A N LEU 222.A O no hydrogen 2.778 N/A CYS 232.A SG MET 220.A O no hydrogen 3.300 N/A CYS 232.A SG PHE 229.A O no hydrogen 3.644 N/A PHE 234.A N VAL 217.A O no hydrogen 2.986 N/A ASN 235.A N ALA 124.A O no hydrogen 3.130 N/A ASN 235.A ND2 ARG 122.A O no hydrogen 2.929 N/A ASN 235.A ND2 GLY 236.A O no hydrogen 3.198 N/A GLY 236.A N PRO 215.A O no hydrogen 3.344 N/A TYR 238.A OH TYR 212.A O no hydrogen 2.939 N/A SER 245.A N ALA 241.A O no hydrogen 2.904 N/A SER 245.A OG THR 206.A O no hydrogen 3.447 N/A SER 245.A OG ALA 241.A O no hydrogen 2.717 N/A PHE 246.A N VAL 242.A O no hydrogen 3.077 N/A LYS 248.A N HIS 244.A O no hydrogen 2.946 N/A LYS 248.A NZ GLU 208.A OE2 no hydrogen 3.045 N/A GLN 249.A N SER 245.A O no hydrogen 3.203 N/A GLN 249.A NE2 THR 206.A O no hydrogen 2.691 N/A ASN 250.A N GLN 247.A O no hydrogen 3.214 N/A VAL 251.A N PHE 246.A O no hydrogen 2.839 N/A THR 252.A N GLY 119.A O no hydrogen 3.062 N/A MET 254.A N TYR 238.A O no hydrogen 2.807 N/A THR 258.A N ASP 255.A OD1 no hydrogen 2.773 N/A THR 258.A OG1 ILE 253.A O no hydrogen 2.956 N/A THR 258.A OG1 ASP 255.A OD1 no hydrogen 3.030 N/A ALA 259.A N ASP 255.A O no hydrogen 2.834 N/A SER 260.A N HIS 256.A O no hydrogen 2.960 N/A GLU 261.A N HIS 257.A O no hydrogen 2.929 N/A SER 262.A N THR 258.A O no hydrogen 2.880 N/A SER 262.A OG THR 258.A O no hydrogen 2.721 N/A SER 262.A OG ALA 259.A O no hydrogen 3.189 N/A PHE 263.A N ALA 259.A O no hydrogen 3.096 N/A MET 264.A N SER 260.A O no hydrogen 2.842 N/A LYS 265.A N GLU 261.A O no hydrogen 2.919 N/A LYS 265.A NZ GLU 261.A OE2 no hydrogen 2.709 N/A HIS 266.A N SER 262.A O no hydrogen 2.943 N/A HIS 266.A ND1 SER 88.A OG no hydrogen 2.603 N/A MET 267.A N PHE 263.A O no hydrogen 2.864 N/A GLN 268.A N MET 264.A O no hydrogen 3.077 N/A GLN 268.A N LYS 265.A O no hydrogen 3.204 N/A ASN 269.A N LYS 265.A O no hydrogen 3.337 N/A ASN 269.A N HIS 266.A O no hydrogen 3.088 N/A ASN 269.A ND2 SER 88.A OG no hydrogen 2.722 N/A ASN 269.A ND2 ASN 89.A OD1 no hydrogen 3.306 N/A TYR 271.A N GLN 268.A O no hydrogen 2.768 N/A SER 274.A OG GLU 223.A OE1 no hydrogen 2.656 N/A SER 274.A OG GLU 223.A OE2 no hydrogen 3.489 N/A PHE 276.A N GLU 223.A O no hydrogen 3.098 N/A TYR 277.A OH THR 71.A O no hydrogen 2.877 N/A TYR 278.A N LEU 221.A O no hydrogen 2.705 N/A TYR 279.A N LEU 6.A O no hydrogen 2.885 N/A GLN 280.A NE2 ASN 219.A O no hydrogen 3.077 N/A GLN 280.A NE2 PRO 230.A O no hydrogen 2.928 N/A TRP 284.A NE1 GLU 161.A OE2 no hydrogen 3.282 N/A LYS 285.A N GLU 282.A O no hydrogen 2.938 N/A THR 286.A N PRO 283.A O no hydrogen 3.186 N/A THR 286.A OG1 PRO 283.A O no hydrogen 3.421 N/A HIS 287.A N PRO 283.A O no hydrogen 2.826 N/A HIS 287.A NE2 ASP 191.A OD1 no hydrogen 2.716 N/A GLN 290.A N ASP 191.A OD1 no hydrogen 3.215 N/A GLN 290.A NE2 GLN 190.A OE1 no hydrogen 3.508 N/A ASN 291.A N ASP 191.A OD2 no hydrogen 3.231 N/A