Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASP 216.A O no hydrogen 3.123 N/A VAL 5.A N GLU 36.A O no hydrogen 2.974 N/A ILE 6.A N VAL 218.A O no hydrogen 2.858 N/A ALA 7.A N VAL 38.A O no hydrogen 2.977 N/A CYS 10.A N GLN 236.A OE1 no hydrogen 2.900 N/A CYS 10.A SG GLU 221.A OE1 no hydrogen 3.354 N/A CYS 10.A SG GLU 221.A OE2 no hydrogen 3.440 N/A CYS 10.A SG SER 231.A OG no hydrogen 3.040 N/A CYS 10.A SG ASP 232.A OD1 no hydrogen 3.480 N/A ILE 12.A N SER 42.A O no hydrogen 3.029 N/A GLU 13.A N ALA 11.A O no hydrogen 2.897 N/A GLU 15.A N TYR 61.A OH no hydrogen 2.946 N/A LEU 17.A N SER 14.A OG no hydrogen 3.201 N/A LEU 18.A N SER 14.A O no hydrogen 3.387 N/A LEU 19.A N GLU 15.A O no hydrogen 3.100 N/A LYS 20.A N GLU 16.A O no hydrogen 3.023 N/A VAL 21.A N LEU 17.A O no hydrogen 3.026 N/A GLY 22.A N LEU 18.A O no hydrogen 2.691 N/A GLU 23.A N LEU 19.A O no hydrogen 2.918 N/A ILE 25.A N VAL 21.A O no hydrogen 2.923 N/A LYS 26.A N GLY 22.A O no hydrogen 2.785 N/A LYS 26.A NZ PHE 73.A O no hydrogen 2.852 N/A ARG 27.A N GLU 23.A O no hydrogen 3.030 N/A ARG 27.A NE GLU 24.A OE1 no hydrogen 2.812 N/A ARG 27.A NH1 GLU 243.A OE1 no hydrogen 3.547 N/A ARG 27.A NH2 GLU 24.A OE1 no hydrogen 3.541 N/A ARG 27.A NH2 GLU 24.A OE2 no hydrogen 2.862 N/A ARG 27.A NH2 GLU 243.A OE1 no hydrogen 2.688 N/A LEU 28.A N GLU 24.A O no hydrogen 2.971 N/A SER 29.A N ILE 25.A O no hydrogen 2.918 N/A SER 29.A OG LYS 26.A O no hydrogen 2.653 N/A GLU 30.A N LYS 26.A O no hydrogen 3.189 N/A GLU 30.A N ARG 27.A O no hydrogen 3.229 N/A LYS 31.A N ARG 27.A O no hydrogen 3.293 N/A LYS 31.A NZ GLU 243.A OE2 no hydrogen 2.629 N/A PHE 32.A N LEU 28.A O no hydrogen 2.731 N/A LYS 33.A NZ GLU 30.A O no hydrogen 2.582 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.730 N/A VAL 35.A N PHE 32.A O no hydrogen 3.035 N/A GLU 36.A N PHE 3.A O no hydrogen 2.809 N/A VAL 38.A N VAL 5.A O no hydrogen 2.974 N/A PHE 39.A N LYS 76.A O no hydrogen 2.842 N/A LYS 40.A N ALA 7.A O no hydrogen 2.833 N/A LYS 40.A NZ CYS 10.A O no hydrogen 3.159 N/A LYS 40.A NZ SER 42.A OG no hydrogen 3.026 N/A LYS 40.A NZ GLU 221.A OE2 no hydrogen 2.980 N/A SER 41.A OG PRO 9.A O no hydrogen 2.988 N/A SER 42.A N CYS 10.A O no hydrogen 3.054 N/A SER 42.A OG CYS 10.A O no hydrogen 3.366 N/A SER 42.A OG ASP 80.A OD1 no hydrogen 2.782 N/A LYS 45.A N ARG 55.A O no hydrogen 2.834 N/A LYS 45.A NZ SER 42.A OG no hydrogen 3.255 N/A ARG 48.A NH1 PHE 54.A O no hydrogen 2.854 N/A ARG 48.A NH1 LEU 230.A O no hydrogen 3.118 N/A HIS 52.A N SER 50.A OG no hydrogen 2.939 N/A SER 53.A N SER 50.A O no hydrogen 3.209 N/A ARG 55.A NE ASP 44.A OD1 no hydrogen 3.182 N/A ARG 55.A NH2 ASP 44.A OD1 no hydrogen 3.504 N/A ARG 55.A NH2 ASP 44.A OD2 no hydrogen 3.027 N/A GLY 62.A N GLY 58.A O no hydrogen 3.079 N/A VAL 63.A N LEU 59.A O no hydrogen 2.915 N/A LYS 64.A N GLU 60.A O no hydrogen 3.170 N/A ALA 65.A N TYR 61.A O no hydrogen 2.873 N/A LEU 66.A N GLY 62.A O no hydrogen 2.845 N/A ARG 67.A N VAL 63.A O no hydrogen 2.844 N/A LYS 68.A N LYS 64.A O no hydrogen 3.090 N/A LYS 68.A NZ GLU 72.A OE1 no hydrogen 2.541 N/A VAL 69.A N ALA 65.A O no hydrogen 3.170 N/A LYS 70.A N LEU 66.A O no hydrogen 3.004 N/A LYS 70.A NZ VAL 93.A O no hydrogen 2.672 N/A LYS 70.A NZ ASP 95.A OD2 no hydrogen 3.088 N/A GLU 71.A N ARG 67.A O no hydrogen 2.869 N/A GLU 72.A N LYS 68.A O no hydrogen 2.795 N/A PHE 73.A N VAL 69.A O no hydrogen 2.902 N/A GLY 74.A N LYS 70.A O no hydrogen 2.749 N/A LYS 76.A NZ GLU 36.A OE2 no hydrogen 3.390 N/A ILE 77.A N ASP 95.A OD2 no hydrogen 2.787 N/A THR 78.A N PHE 39.A O no hydrogen 2.941 N/A THR 78.A OG1 ILE 96.A O no hydrogen 2.689 N/A THR 79.A OG1 SER 41.A O no hydrogen 2.658 N/A ASP 80.A N ASP 80.A OD1 no hydrogen 2.609 N/A ILE 81.A N GLN 98.A O no hydrogen 3.100 N/A HIS 82.A N GLN 86.A OE1 no hydrogen 2.690 N/A GLU 83.A N GLN 86.A OE1 no hydrogen 3.391 N/A TRP 85.A NE1 GLU 83.A OE2 no hydrogen 3.161 N/A GLN 86.A N GLU 83.A O no hydrogen 3.033 N/A ALA 87.A N SER 84.A O no hydrogen 3.186 N/A VAL 90.A N GLN 86.A O no hydrogen 3.056 N/A ALA 91.A N ALA 87.A O no hydrogen 2.842 N/A GLU 92.A N PRO 89.A O no hydrogen 3.277 N/A VAL 93.A N VAL 90.A O no hydrogen 3.060 N/A ALA 94.A N VAL 90.A O no hydrogen 2.922 N/A ASP 95.A N ILE 77.A O no hydrogen 2.640 N/A ILE 96.A N ILE 77.A O no hydrogen 3.119 N/A ILE 97.A N ALA 119.A O no hydrogen 2.785 N/A GLN 98.A N THR 79.A O no hydrogen 2.933 N/A ILE 99.A N ASN 121.A O no hydrogen 2.817 N/A LEU 103.A N PRO 100.A O no hydrogen 2.987 N/A CYS 104.A N ALA 101.A O no hydrogen 3.328 N/A CYS 104.A SG ALA 101.A O no hydrogen 3.279 N/A GLN 106.A N LEU 103.A O no hydrogen 3.098 N/A LEU 109.A N GLN 106.A O no hydrogen 3.075 N/A LEU 110.A N GLN 106.A O no hydrogen 3.187 N/A LEU 111.A N THR 107.A O no hydrogen 2.912 N/A ALA 112.A N ASP 108.A O no hydrogen 2.884 N/A ALA 113.A N LEU 109.A O no hydrogen 3.079 N/A ALA 114.A N LEU 110.A O no hydrogen 2.921 N/A LYS 115.A N LEU 111.A O no hydrogen 3.137 N/A THR 116.A N ALA 113.A O no hydrogen 3.238 N/A THR 116.A OG1 ALA 113.A O no hydrogen 2.725 N/A GLY 117.A N ALA 114.A O no hydrogen 3.402 N/A ARG 118.A N THR 116.A OG1 no hydrogen 3.130 N/A ARG 118.A NE ALA 91.A O no hydrogen 2.799 N/A ARG 118.A NH2 ALA 91.A O no hydrogen 2.943 N/A ALA 119.A N ASP 95.A O no hydrogen 3.198 N/A VAL 120.A N GLU 147.A O no hydrogen 2.968 N/A ASN 121.A N ILE 97.A O no hydrogen 2.896 N/A VAL 122.A N TYR 149.A O no hydrogen 2.915 N/A LYS 123.A N ILE 99.A O no hydrogen 3.006 N/A LYS 123.A NZ ASP 181.A OD2 no hydrogen 2.904 N/A LYS 123.A NZ HIS 184.A ND1 no hydrogen 3.505 N/A LYS 124.A N THR 151.A O no hydrogen 2.861 N/A LYS 124.A NZ GLU 152.A OE1 no hydrogen 2.696 N/A LYS 124.A NZ GLU 152.A OE2 no hydrogen 3.517 N/A GLN 126.A N GLN 126.A OE1 no hydrogen 2.588 N/A LEU 128.A N GLY 125.A O no hydrogen 2.985 N/A ASP 132.A N ALA 129.A O no hydrogen 2.985 N/A THR 133.A N PRO 130.A O no hydrogen 3.194 N/A THR 133.A OG1 PRO 130.A O no hydrogen 2.719 N/A VAL 137.A N THR 133.A O no hydrogen 3.048 N/A GLU 138.A N LYS 134.A O no hydrogen 2.968 N/A LYS 139.A N ASN 135.A O no hydrogen 3.020 N/A LYS 139.A NZ THR 107.A OG1 no hydrogen 2.890 N/A LEU 140.A N VAL 136.A O no hydrogen 3.201 N/A LYS 141.A N VAL 137.A O no hydrogen 2.887 N/A PHE 142.A N GLU 138.A O no hydrogen 2.927 N/A GLY 143.A N LYS 139.A O no hydrogen 2.938 N/A GLY 144.A N LYS 141.A O no hydrogen 3.033 N/A ALA 145.A N LEU 140.A O no hydrogen 2.959 N/A TYR 149.A N VAL 120.A O no hydrogen 2.901 N/A TYR 149.A OH GLU 147.A OE1 no hydrogen 2.596 N/A LEU 150.A N LYS 177.A O no hydrogen 2.948 N/A THR 151.A N VAL 122.A O no hydrogen 2.822 N/A THR 151.A OG1 ASN 121.A OD1 no hydrogen 2.656 N/A GLU 152.A N ILE 179.A O no hydrogen 2.798 N/A ARG 153.A NH1 ARG 153.A O no hydrogen 2.701 N/A GLY 154.A N GLU 152.A OE2 no hydrogen 2.769 N/A THR 155.A N VAL 163.A O no hydrogen 2.851 N/A THR 156.A N GLN 126.A O no hydrogen 2.977 N/A THR 156.A OG1 GLN 126.A O no hydrogen 3.330 N/A PHE 157.A N ASN 161.A O no hydrogen 3.059 N/A VAL 163.A N THR 155.A O no hydrogen 2.975 N/A ARG 167.A N ASP 165.A OD1 no hydrogen 3.197 N/A ARG 167.A NE ASP 165.A OD1 no hydrogen 2.883 N/A ARG 167.A NE ASP 165.A OD2 no hydrogen 3.232 N/A ARG 167.A NH2 ASP 165.A OD2 no hydrogen 2.859 N/A SER 168.A N ASP 165.A O no hydrogen 2.909 N/A SER 168.A OG GLU 152.A OE1 no hydrogen 2.628 N/A SER 168.A OG ASP 165.A O no hydrogen 3.322 N/A LEU 169.A N PHE 166.A O no hydrogen 3.225 N/A ILE 171.A N ARG 167.A O no hydrogen 3.360 N/A MET 172.A N SER 168.A O no hydrogen 2.871 N/A LYS 173.A N LEU 169.A O no hydrogen 3.113 N/A LYS 173.A NZ ASP 216.A OD1 no hydrogen 3.073 N/A LYS 173.A NZ ASP 216.A OD2 no hydrogen 2.810 N/A GLN 174.A N ILE 171.A O no hydrogen 3.132 N/A TRP 175.A N MET 172.A O no hydrogen 3.078 N/A TRP 175.A NE1 THR 133.A OG1 no hydrogen 2.782 N/A ALA 176.A N MET 172.A O no hydrogen 3.231 N/A LYS 177.A N ILE 148.A O no hydrogen 3.371 N/A VAL 178.A N ASP 216.A OD2 no hydrogen 2.749 N/A ILE 179.A N LEU 150.A O no hydrogen 2.887 N/A TYR 180.A N GLY 217.A O no hydrogen 2.987 N/A ASP 181.A N GLU 152.A O no hydrogen 2.878 N/A ALA 182.A N PHE 219.A O no hydrogen 2.852 N/A THR 183.A N ASP 181.A OD1 no hydrogen 3.150 N/A THR 183.A OG1 ASP 181.A OD1 no hydrogen 3.394 N/A HIS 184.A N ASP 181.A OD1 no hydrogen 2.847 N/A HIS 184.A ND1 ASP 181.A OD2 no hydrogen 2.637 N/A SER 185.A OG ASP 181.A O no hydrogen 2.698 N/A VAL 186.A N THR 183.A O no hydrogen 3.466 N/A GLN 187.A N HIS 184.A O no hydrogen 3.182 N/A LEU 188.A N GLY 197.A O no hydrogen 2.774 N/A GLY 191.A N LEU 188.A O no hydrogen 2.708 N/A LYS 195.A NZ ASP 194.A OD2 no hydrogen 3.442 N/A SER 196.A OG LEU 188.A O no hydrogen 3.440 N/A SER 196.A OG GLY 197.A O no hydrogen 3.253 N/A GLY 197.A N LEU 188.A O no hydrogen 2.879 N/A MET 199.A N VAL 186.A O no hydrogen 3.228 N/A ARG 200.A NE GLN 236.A O no hydrogen 3.274 N/A ARG 200.A NH2 ALA 233.A O no hydrogen 3.027 N/A ARG 200.A NH2 GLN 236.A O no hydrogen 2.984 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.833 N/A PHE 202.A N MET 199.A O no hydrogen 3.132 N/A ILE 203.A N ARG 200.A O no hydrogen 3.143 N/A LEU 206.A N PHE 202.A O no hydrogen 3.162 N/A ILE 207.A N ILE 203.A O no hydrogen 3.091 N/A ARG 208.A N PHE 204.A O no hydrogen 3.038 N/A ALA 209.A N PRO 205.A O no hydrogen 3.143 N/A ALA 210.A N LEU 206.A O no hydrogen 2.996 N/A VAL 211.A N ILE 207.A O no hydrogen 3.162 N/A ALA 212.A N ARG 208.A O no hydrogen 3.061 N/A VAL 213.A N ALA 209.A O no hydrogen 2.841 N/A GLY 214.A N ALA 210.A O no hydrogen 2.825 N/A CYS 215.A SG ALA 210.A O no hydrogen 3.854 N/A CYS 215.A SG GLY 217.A O no hydrogen 3.442 N/A ASP 216.A N VAL 178.A O no hydrogen 2.742 N/A VAL 218.A N LEU 4.A O no hydrogen 2.905 N/A PHE 219.A N TYR 180.A O no hydrogen 2.697 N/A MET 220.A N ILE 6.A O no hydrogen 2.837 N/A GLU 221.A N THR 183.A OG1 no hydrogen 3.294 N/A THR 222.A N GLY 8.A O no hydrogen 2.955 N/A THR 222.A OG1 LEU 237.A O no hydrogen 2.824 N/A HIS 223.A N LEU 237.A O no hydrogen 2.921 N/A HIS 223.A NE2 GLU 13.A OE1 no hydrogen 2.983 N/A GLU 225.A N HIS 223.A ND1 no hydrogen 2.926 N/A LYS 228.A N GLU 225.A O no hydrogen 2.773 N/A LYS 228.A NZ GLU 225.A OE1 no hydrogen 3.241 N/A ALA 229.A N PRO 226.A O no hydrogen 2.867 N/A LEU 230.A N GLU 13.A OE2 no hydrogen 2.954 N/A THR 235.A N ASP 232.A O no hydrogen 3.315 N/A GLN 236.A N ASP 232.A O no hydrogen 3.055 N/A GLN 236.A NE2 SER 231.A O no hydrogen 2.794 N/A LEU 237.A N GLU 221.A O no hydrogen 2.909 N/A LEU 239.A N HIS 223.A O no hydrogen 3.078 N/A GLN 241.A N PRO 238.A O no hydrogen 2.902 N/A LEU 242.A N LEU 239.A O no hydrogen 3.217 N/A ILE 245.A N GLN 241.A O no hydrogen 3.192 N/A ILE 246.A N LEU 242.A O no hydrogen 2.962 N/A GLU 247.A N GLU 243.A O no hydrogen 2.953 N/A ALA 248.A N GLY 244.A O no hydrogen 2.976 N/A ILE 249.A N ILE 245.A O no hydrogen 2.978 N/A LEU 250.A N ILE 246.A O no hydrogen 3.032 N/A GLU 251.A N GLU 247.A O no hydrogen 3.040 N/A ILE 252.A N ALA 248.A O no hydrogen 2.993 N/A ARG 253.A N ILE 249.A O no hydrogen 2.799 N/A ARG 253.A NH2 GLU 1.A O no hydrogen 2.681 N/A GLU 254.A N LEU 250.A O no hydrogen 2.959 N/A VAL 255.A N GLU 251.A O no hydrogen 3.212 N/A ALA 256.A N ILE 252.A O no hydrogen 2.972 N/A SER 257.A N ARG 253.A O no hydrogen 2.723 N/A SER 257.A OG GLU 254.A O no hydrogen 2.630 N/A TYR 259.A N ALA 256.A O no hydrogen 2.811 N/A TYR 260.A N SER 257.A O no hydrogen 3.119 N/A TYR 260.A OH VAL 211.A O no hydrogen 2.454 N/A GLU 261.A N GLU 261.A OE1 no hydrogen 2.696 N/A