Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x22_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N ASP 5.A OD2 no hydrogen 3.013 N/A LEU 3.A N GLN 31.A OE1 no hydrogen 2.835 N/A LEU 4.A N GLN 31.A O no hydrogen 2.927 N/A ASP 5.A N GLY 2.A O no hydrogen 3.242 N/A LYS 7.A N LEU 4.A O no hydrogen 2.949 N/A LYS 7.A NZ ASP 247.A OD1 no hydrogen 2.639 N/A LYS 7.A NZ ASP 247.A OD2 no hydrogen 3.383 N/A ARG 8.A N ASP 88.A OD2 no hydrogen 2.810 N/A ILE 9.A N GLN 34.A O no hydrogen 3.019 N/A LEU 10.A N GLY 89.A O no hydrogen 2.997 N/A VAL 11.A N VAL 36.A O no hydrogen 2.899 N/A SER 12.A N VAL 91.A O no hydrogen 2.989 N/A SER 12.A OG VAL 91.A O no hydrogen 2.674 N/A ILE 15.A N SER 19.A OG no hydrogen 3.003 N/A THR 16.A N SER 19.A OG no hydrogen 3.081 N/A SER 18.A N THR 16.A OG1 no hydrogen 3.074 N/A SER 19.A N THR 16.A O no hydrogen 3.163 N/A SER 19.A OG THR 16.A O no hydrogen 3.210 N/A HIS 23.A N SER 19.A O no hydrogen 3.283 N/A ILE 24.A N ILE 20.A O no hydrogen 2.903 N/A ALA 25.A N ALA 21.A O no hydrogen 2.995 N/A ARG 26.A N PHE 22.A O no hydrogen 2.889 N/A ARG 26.A NH1 GLU 30.A OE2 no hydrogen 3.064 N/A ARG 26.A NH2 THR 235.A OG1 no hydrogen 2.834 N/A VAL 27.A N HIS 23.A O no hydrogen 2.908 N/A ALA 28.A N ILE 24.A O no hydrogen 2.802 N/A GLN 29.A N ALA 25.A O no hydrogen 2.843 N/A GLN 29.A NE2 ALA 55.A O no hydrogen 2.888 N/A GLU 30.A N ARG 26.A O no hydrogen 2.985 N/A GLN 31.A N VAL 27.A O no hydrogen 3.089 N/A GLN 31.A N ALA 28.A O no hydrogen 3.130 N/A GLY 32.A N GLN 29.A O no hydrogen 2.811 N/A ALA 33.A N ALA 28.A O no hydrogen 2.955 N/A GLN 34.A N LYS 7.A O no hydrogen 2.870 N/A GLN 34.A NE2 GLY 32.A O no hydrogen 3.243 N/A VAL 36.A N ILE 9.A O no hydrogen 2.951 N/A LEU 37.A N PRO 58.A O no hydrogen 2.797 N/A THR 38.A N VAL 11.A O no hydrogen 2.985 N/A GLY 39.A N LEU 60.A O no hydrogen 2.966 N/A ARG 42.A N PHE 40.A O no hydrogen 2.669 N/A ILE 46.A N ARG 42.A O no hydrogen 2.929 N/A GLN 47.A N LEU 43.A O no hydrogen 2.813 N/A GLN 47.A NE2 GLN 47.A O no hydrogen 3.685 N/A ARG 48.A N ARG 44.A O no hydrogen 3.115 N/A ILE 49.A N LEU 45.A O no hydrogen 2.897 N/A THR 50.A N ILE 46.A O no hydrogen 2.783 N/A THR 50.A OG1 ILE 46.A O no hydrogen 3.110 N/A THR 50.A OG1 GLN 47.A O no hydrogen 3.253 N/A ASP 51.A N ARG 48.A O no hydrogen 3.259 N/A ARG 52.A N ILE 49.A O no hydrogen 2.865 N/A ARG 52.A NE ASP 17.A OD2 no hydrogen 3.342 N/A ARG 52.A NH2 ASP 17.A OD2 no hydrogen 2.995 N/A LEU 53.A N THR 50.A O no hydrogen 3.323 N/A ALA 55.A N GLN 29.A OE1 no hydrogen 2.915 N/A LEU 60.A N LEU 37.A O no hydrogen 2.733 N/A LEU 62.A N GLY 39.A O no hydrogen 2.833 N/A GLN 65.A N ASP 63.A OD1 no hydrogen 3.018 N/A GLN 65.A NE2 HIS 120.A ND1 no hydrogen 3.073 N/A ASN 66.A N ASP 63.A O no hydrogen 2.816 N/A LEU 70.A N ASN 66.A O no hydrogen 3.096 N/A ALA 71.A N GLU 67.A O no hydrogen 2.939 N/A SER 72.A N GLU 68.A O no hydrogen 3.060 N/A SER 72.A N HIS 69.A O no hydrogen 3.305 N/A SER 72.A OG GLU 68.A O no hydrogen 3.230 N/A SER 72.A OG HIS 69.A O no hydrogen 3.075 N/A LEU 73.A N LEU 70.A O no hydrogen 3.394 N/A ARG 76.A N SER 72.A O no hydrogen 2.899 N/A ARG 76.A NE SER 72.A OG no hydrogen 2.977 N/A ARG 76.A NH1 GLU 61.A O no hydrogen 2.690 N/A ARG 76.A NH2 GLU 61.A O no hydrogen 3.021 N/A ARG 76.A NH2 HIS 69.A O no hydrogen 2.987 N/A VAL 77.A N LEU 73.A O no hydrogen 2.804 N/A THR 78.A N ALA 74.A O no hydrogen 2.875 N/A THR 78.A OG1 ALA 74.A O no hydrogen 2.910 N/A GLU 79.A N GLY 75.A O no hydrogen 2.971 N/A ALA 80.A N ARG 76.A O no hydrogen 3.063 N/A ILE 81.A N VAL 77.A O no hydrogen 2.869 N/A GLY 82.A N THR 78.A O no hydrogen 2.730 N/A ASN 85.A N GLY 82.A O no hydrogen 3.043 N/A ASN 85.A ND2 ILE 81.A O no hydrogen 2.899 N/A LEU 87.A N ILE 136.A O no hydrogen 2.757 N/A ASP 88.A N ARG 8.A O no hydrogen 2.684 N/A GLY 89.A N ARG 8.A O no hydrogen 3.090 N/A VAL 90.A N SER 142.A O no hydrogen 2.849 N/A VAL 91.A N LEU 10.A O no hydrogen 2.644 N/A HIS 92.A N VAL 144.A O no hydrogen 2.782 N/A HIS 92.A NE2 SER 125.A OG no hydrogen 2.697 N/A SER 93.A N SER 12.A OG no hydrogen 3.070 N/A PHE 96.A N SER 122.A OG no hydrogen 3.037 N/A GLN 99.A NE2 ILE 201.A O no hydrogen 2.912 N/A THR 100.A OG1 ASP 114.A OD1 no hydrogen 2.496 N/A GLY 101.A N PRO 98.A O no hydrogen 2.823 N/A MET 102.A N GLN 99.A O no hydrogen 3.126 N/A GLY 103.A N ALA 156.A O no hydrogen 2.744 N/A ILE 104.A N ALA 205.A O no hydrogen 2.887 N/A ASN 105.A ND2 GLN 99.A O no hydrogen 2.625 N/A ASN 105.A ND2 MET 102.A O no hydrogen 3.225 N/A ASP 109.A N PRO 106.A O no hydrogen 2.937 N/A ALA 110.A N PHE 107.A O no hydrogen 3.453 N/A ASP 114.A N PRO 111.A O no hydrogen 2.925 N/A VAL 115.A N PRO 111.A O no hydrogen 3.199 N/A SER 116.A N TYR 112.A O no hydrogen 2.740 N/A LYS 117.A N ALA 113.A O no hydrogen 3.330 N/A GLY 118.A N ASP 114.A O no hydrogen 3.083 N/A ILE 119.A N VAL 115.A O no hydrogen 2.832 N/A HIS 120.A N SER 116.A O no hydrogen 2.816 N/A ILE 121.A N LYS 117.A O no hydrogen 3.076 N/A SER 122.A N GLY 118.A O no hydrogen 2.912 N/A SER 122.A OG PHE 96.A O no hydrogen 2.853 N/A SER 122.A OG GLY 118.A O no hydrogen 2.657 N/A ALA 123.A N ILE 119.A O no hydrogen 2.812 N/A TYR 124.A N ILE 119.A O no hydrogen 2.980 N/A SER 125.A N HIS 120.A O no hydrogen 2.941 N/A SER 125.A OG HIS 92.A NE2 no hydrogen 2.697 N/A SER 125.A OG ILE 121.A O no hydrogen 2.480 N/A TYR 126.A N ALA 123.A O no hydrogen 3.107 N/A TYR 126.A OH SER 185.A OG no hydrogen 2.785 N/A SER 128.A N TYR 124.A O no hydrogen 3.201 N/A SER 128.A OG SER 125.A O no hydrogen 3.315 N/A MET 129.A N SER 125.A O no hydrogen 2.940 N/A ALA 130.A N TYR 126.A O no hydrogen 3.197 N/A LYS 131.A N ALA 127.A O no hydrogen 2.806 N/A ALA 132.A N SER 128.A O no hydrogen 3.066 N/A LEU 133.A N MET 129.A O no hydrogen 2.989 N/A LEU 134.A N ALA 130.A O no hydrogen 2.987 N/A ILE 136.A N LEU 133.A O no hydrogen 2.830 N/A MET 137.A N LEU 134.A O no hydrogen 3.043 N/A ASN 138.A N LEU 87.A O no hydrogen 2.846 N/A GLY 140.A N GLY 182.A O no hydrogen 2.686 N/A GLY 141.A N ASN 138.A O no hydrogen 3.043 N/A SER 142.A N ASP 88.A O no hydrogen 2.932 N/A SER 142.A OG LEU 244.A O no hydrogen 2.597 N/A ILE 143.A N ARG 184.A O no hydrogen 2.757 N/A VAL 144.A N VAL 90.A O no hydrogen 2.801 N/A GLY 145.A N ASN 186.A O no hydrogen 2.907 N/A ASP 147.A N VAL 188.A O no hydrogen 2.842 N/A SER 151.A N ASP 149.A OD1 no hydrogen 3.127 N/A SER 151.A OG.A ASP 149.A OD1 no hydrogen 2.668 N/A SER 151.A OG.B ASP 149.A OD1 no hydrogen 2.698 N/A SER 151.A OG.B ASP 149.A OD2 no hydrogen 3.336 N/A TYR 157.A N PRO 155.A O no hydrogen 2.738 N/A ASN 158.A ND2 GLY 103.A O no hydrogen 3.030 N/A TRP 159.A N GLY 101.A O no hydrogen 3.000 N/A TRP 159.A NE1 PHE 107.A O no hydrogen 2.809 N/A MET 160.A N TYR 157.A O no hydrogen 2.953 N/A THR 161.A N ASN 158.A O no hydrogen 3.068 N/A THR 161.A OG1 ASN 158.A O no hydrogen 2.731 N/A ALA 163.A N TRP 159.A O no hydrogen 3.068 N/A LYS 164.A N MET 160.A O no hydrogen 2.912 N/A LYS 164.A NZ MET 146.A O no hydrogen 2.771 N/A SER 165.A N THR 161.A O no hydrogen 2.977 N/A SER 165.A OG THR 161.A O no hydrogen 3.248 N/A ALA 166.A N VAL 162.A O no hydrogen 2.910 N/A LEU 167.A N ALA 163.A O no hydrogen 2.760 N/A GLU 168.A N LYS 164.A O no hydrogen 2.900 N/A SER 169.A N SER 165.A O no hydrogen 3.349 N/A VAL 170.A N ALA 166.A O no hydrogen 2.919 N/A ASN 171.A N LEU 167.A O no hydrogen 2.847 N/A ASN 171.A ND2 ASP 255.A O no hydrogen 3.105 N/A ARG 172.A N GLU 168.A O no hydrogen 3.358 N/A PHE 173.A N SER 169.A O no hydrogen 3.300 N/A VAL 174.A N VAL 170.A O no hydrogen 2.758 N/A ALA 175.A N ASN 171.A O no hydrogen 2.891 N/A GLU 177.A N PHE 173.A O no hydrogen 3.372 N/A ALA 178.A N VAL 174.A O no hydrogen 2.712 N/A GLY 179.A N ALA 175.A O no hydrogen 2.928 N/A LYS 180.A N GLU 177.A O no hydrogen 3.131 N/A LYS 180.A NZ GLU 177.A OE1 no hydrogen 3.119 N/A TYR 181.A N ALA 178.A O no hydrogen 2.893 N/A GLY 182.A N GLY 179.A O no hydrogen 2.937 N/A VAL 183.A N ALA 178.A O no hydrogen 2.976 N/A ARG 184.A N GLY 141.A O no hydrogen 2.891 N/A ARG 184.A NE LEU 249.A O no hydrogen 3.063 N/A ARG 184.A NH1 GLY 140.A O no hydrogen 2.948 N/A ARG 184.A NH1 GLY 141.A O no hydrogen 3.356 N/A ARG 184.A NH2 SER 246.A O no hydrogen 3.065 N/A ARG 184.A NH2 LEU 249.A O no hydrogen 2.977 N/A SER 185.A N THR 253.A OG1 no hydrogen 2.948 N/A SER 185.A OG TYR 126.A OH no hydrogen 2.785 N/A SER 185.A OG ASN 171.A OD1 no hydrogen 2.905 N/A ASN 186.A N ILE 143.A O no hydrogen 2.810 N/A ASN 186.A ND2 THR 252.A O no hydrogen 2.963 N/A LEU 187.A N ASP 255.A O no hydrogen 2.809 N/A VAL 188.A N GLY 145.A O no hydrogen 2.847 N/A ALA 189.A N ILE 257.A O no hydrogen 2.735 N/A ALA 190.A N ASP 147.A O no hydrogen 3.081 N/A GLY 191.A N ALA 259.A O no hydrogen 3.079 N/A ARG 194.A N MET 231.A O no hydrogen 2.940 N/A THR 195.A N ILE 193.A O no hydrogen 2.809 N/A MET 198.A N THR 195.A OG1 no hydrogen 3.307 N/A SER 199.A N THR 195.A O no hydrogen 3.048 N/A SER 199.A OG LEU 196.A O no hydrogen 3.310 N/A ALA 200.A N LEU 196.A O no hydrogen 2.585 N/A ILE 201.A N ALA 197.A O no hydrogen 2.861 N/A VAL 202.A N ALA 197.A O no hydrogen 2.966 N/A GLY 203.A N MET 198.A O no hydrogen 2.758 N/A ALA 205.A N VAL 202.A O no hydrogen 3.360 N/A LEU 206.A N GLY 203.A O no hydrogen 3.081 N/A GLN 213.A N GLU 209.A O no hydrogen 2.864 N/A GLN 213.A NE2 LEU 206.A O no hydrogen 3.515 N/A ILE 214.A N ALA 210.A O no hydrogen 2.910 N/A GLN 215.A N GLY 211.A O no hydrogen 2.974 N/A LEU 216.A N ALA 212.A O no hydrogen 2.788 N/A LEU 217.A N GLN 213.A O no hydrogen 2.904 N/A GLU 218.A N ILE 214.A O no hydrogen 2.981 N/A GLU 219.A N GLN 215.A O no hydrogen 3.094 N/A GLY 220.A N LEU 216.A O no hydrogen 2.952 N/A TRP 221.A N LEU 217.A O no hydrogen 2.931 N/A TRP 221.A NE1 ASP 260.A O no hydrogen 2.985 N/A ASP 222.A N GLU 218.A O no hydrogen 2.818 N/A GLN 223.A N GLU 219.A O no hydrogen 3.017 N/A ARG 224.A N GLY 220.A O no hydrogen 3.017 N/A ARG 224.A NE LEU 267.A O no hydrogen 3.222 N/A ALA 225.A N TRP 221.A O no hydrogen 2.898 N/A GLY 228.A N ALA 225.A O no hydrogen 2.955 N/A TRP 229.A N ASP 222.A OD1 no hydrogen 2.733 N/A TRP 229.A NE1 PRO 192.A O no hydrogen 2.754 N/A MET 231.A N GLU 218.A OE2 no hydrogen 3.039 N/A LYS 232.A N ASN 230.A OD1 no hydrogen 2.902 N/A ASP 233.A N ASN 230.A O no hydrogen 3.284 N/A THR 235.A N ASP 233.A OD1 no hydrogen 3.204 N/A THR 235.A OG1 ASP 233.A OD1 no hydrogen 2.953 N/A ALA 238.A N ALA 234.A O no hydrogen 2.894 N/A LYS 239.A N THR 235.A O no hydrogen 2.838 N/A THR 240.A N PRO 236.A O no hydrogen 3.244 N/A THR 240.A OG1 PRO 236.A O no hydrogen 2.709 N/A VAL 241.A N VAL 237.A O no hydrogen 3.158 N/A CYS 242.A N ALA 238.A O no hydrogen 2.932 N/A CYS 242.A SG ILE 24.A O no hydrogen 3.981 N/A CYS 242.A SG ALA 238.A O no hydrogen 3.563 N/A ALA 243.A N LYS 239.A O no hydrogen 2.820 N/A LEU 244.A N THR 240.A O no hydrogen 3.186 N/A LEU 245.A N VAL 241.A O no hydrogen 2.936 N/A SER 246.A N CYS 242.A O no hydrogen 3.026 N/A SER 246.A N ALA 243.A O no hydrogen 3.229 N/A SER 246.A OG ALA 243.A O no hydrogen 2.655 N/A TRP 248.A N SER 246.A OG no hydrogen 2.885 N/A THR 253.A OG1 SER 185.A O no hydrogen 3.405 N/A GLY 254.A N SER 185.A O no hydrogen 2.721 N/A ASP 255.A N ASN 186.A OD1 no hydrogen 3.010 N/A ILE 256.A N ASP 255.A OD1 no hydrogen 2.805 N/A ILE 257.A N LEU 187.A O no hydrogen 2.886 N/A ALA 259.A N ALA 189.A O no hydrogen 2.900 N/A GLY 262.A N ASP 260.A OD1 no hydrogen 2.857 N/A ALA 263.A N ASP 260.A O no hydrogen 3.198 N/A HIS 264.A N ASP 260.A OD2 no hydrogen 2.861 N/A THR 265.A N GLY 262.A O no hydrogen 3.084 N/A THR 265.A OG1 GLY 262.A O no hydrogen 2.836 N/A GLN 266.A N ALA 263.A O no hydrogen 3.167 N/A GLN 266.A NE2 THR 265.A OG1 no hydrogen 2.964 N/A