Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3itd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH GLU 244.A OE2 no hydrogen 2.679 N/A GLY 4.A N GLU 244.A OE1 no hydrogen 2.956 N/A ARG 5.A N ILE 2.A O no hydrogen 3.046 N/A ARG 5.A NE ASP 7.A OD2 no hydrogen 2.923 N/A ARG 5.A NH1 ARG 30.A O no hydrogen 3.086 N/A ARG 5.A NH2 ASP 7.A OD1 no hydrogen 3.160 N/A ARG 5.A NH2 ARG 30.A O no hydrogen 3.558 N/A LEU 6.A N LEU 31.A O no hydrogen 2.729 N/A LYS 9.A N LEU 6.A O no hydrogen 2.937 N/A VAL 10.A N ASP 88.A OD2 no hydrogen 2.800 N/A ALA 11.A N LYS 34.A O no hydrogen 2.837 N/A LEU 12.A N ILE 89.A O no hydrogen 2.866 N/A VAL 13.A N VAL 36.A O no hydrogen 3.062 N/A THR 14.A N VAL 91.A O no hydrogen 2.814 N/A THR 14.A OG1 SER 94.A OG no hydrogen 2.761 N/A SER 16.A N ASN 38.A O no hydrogen 2.926 N/A SER 16.A OG VAL 13.A O no hydrogen 3.009 N/A SER 16.A OG ASN 38.A O no hydrogen 2.977 N/A ARG 18.A N GLY 15.A O no hydrogen 3.332 N/A ALA 22.A N ARG 18.A O no hydrogen 2.894 N/A ALA 23.A N GLY 19.A O no hydrogen 3.125 N/A VAL 24.A N ILE 20.A O no hydrogen 2.945 N/A ALA 25.A N GLY 21.A O no hydrogen 2.954 N/A VAL 26.A N ALA 22.A O no hydrogen 3.025 N/A HIS 27.A N ALA 23.A O no hydrogen 2.927 N/A LEU 28.A N VAL 24.A O no hydrogen 2.915 N/A GLY 29.A N ALA 25.A O no hydrogen 3.158 N/A ARG 30.A N VAL 26.A O no hydrogen 2.866 N/A LEU 31.A N HIS 27.A O no hydrogen 2.950 N/A GLY 32.A N GLY 29.A O no hydrogen 2.961 N/A ALA 33.A N LEU 28.A O no hydrogen 2.985 N/A LYS 34.A N LYS 9.A O no hydrogen 2.995 N/A VAL 35.A N ASP 59.A O no hydrogen 3.017 N/A VAL 36.A N ALA 11.A O no hydrogen 2.796 N/A VAL 37.A N ILE 61.A O no hydrogen 2.691 N/A ASN 38.A N VAL 13.A O no hydrogen 2.939 N/A ASN 38.A ND2 ILE 63.A O no hydrogen 2.937 N/A TYR 39.A OH THR 43.A OG1 no hydrogen 2.575 N/A THR 43.A OG1 TYR 39.A OH no hydrogen 2.575 N/A ASP 45.A N SER 42.A OG no hydrogen 3.073 N/A ALA 46.A N SER 42.A O no hydrogen 3.141 N/A GLU 47.A N THR 43.A O no hydrogen 2.875 N/A LYS 48.A N LYS 44.A O no hydrogen 3.164 N/A VAL 49.A N ASP 45.A O no hydrogen 3.333 N/A VAL 50.A N ALA 46.A O no hydrogen 3.038 N/A SER 51.A N GLU 47.A O no hydrogen 2.908 N/A SER 51.A OG GLU 47.A O no hydrogen 3.153 N/A GLU 52.A N LYS 48.A O no hydrogen 3.045 N/A ILE 53.A N VAL 49.A O no hydrogen 3.064 N/A LYS 54.A N VAL 50.A O no hydrogen 2.898 N/A ALA 55.A N SER 51.A O no hydrogen 2.887 N/A LEU 56.A N GLU 52.A O no hydrogen 3.084 N/A LEU 56.A N ILE 53.A O no hydrogen 3.235 N/A GLY 57.A N LYS 54.A O no hydrogen 3.026 N/A SER 58.A N ILE 53.A O no hydrogen 3.257 N/A SER 58.A OG GLY 29.A O no hydrogen 3.237 N/A SER 58.A OG ALA 33.A O no hydrogen 3.133 N/A ALA 60.A N ASP 59.A OD1 no hydrogen 2.956 N/A ILE 61.A N VAL 35.A O no hydrogen 3.051 N/A ILE 63.A N VAL 37.A O no hydrogen 3.087 N/A LYS 64.A NZ ASN 41.A O no hydrogen 3.377 N/A ALA 65.A N TYR 39.A O no hydrogen 3.186 N/A ASP 66.A N GLU 72.A OE1 no hydrogen 2.797 N/A ARG 68.A N ASP 66.A OD1 no hydrogen 3.083 N/A ARG 68.A NE ARG 112.A O no hydrogen 3.412 N/A ARG 68.A NE SER 115.A OG no hydrogen 2.814 N/A ARG 68.A NH2 ARG 112.A O no hydrogen 2.857 N/A GLN 69.A N ASP 66.A O no hydrogen 2.891 N/A GLN 69.A NE2 ASP 66.A OD2 no hydrogen 3.020 N/A GLU 72.A N GLN 69.A O no hydrogen 2.838 N/A ILE 73.A N GLN 69.A O no hydrogen 3.253 N/A VAL 74.A N VAL 70.A O no hydrogen 3.074 N/A LYS 75.A N PRO 71.A O no hydrogen 3.183 N/A LEU 76.A N GLU 72.A O no hydrogen 2.906 N/A PHE 77.A N ILE 73.A O no hydrogen 3.124 N/A ASP 78.A N VAL 74.A O no hydrogen 2.936 N/A GLN 79.A N LYS 75.A O no hydrogen 2.856 N/A ALA 80.A N LEU 76.A O no hydrogen 2.901 N/A VAL 81.A N PHE 77.A O no hydrogen 3.088 N/A ALA 82.A N ASP 78.A O no hydrogen 2.888 N/A HIS 83.A N GLN 79.A O no hydrogen 2.926 N/A PHE 84.A N ALA 80.A O no hydrogen 3.123 N/A GLY 85.A N VAL 81.A O no hydrogen 2.812 N/A ASP 88.A N VAL 10.A O no hydrogen 2.863 N/A ILE 89.A N VAL 10.A O no hydrogen 3.115 N/A ALA 90.A N ARG 137.A O no hydrogen 2.898 N/A VAL 91.A N LEU 12.A O no hydrogen 2.811 N/A SER 92.A N VAL 139.A O no hydrogen 2.823 N/A SER 92.A OG GLN 121.A OE1 no hydrogen 2.723 N/A ASN 93.A N THR 14.A O no hydrogen 3.338 N/A ASN 93.A N THR 14.A OG1 no hydrogen 3.019 N/A ASN 93.A ND2 THR 14.A O no hydrogen 2.838 N/A SER 94.A N SER 92.A OG no hydrogen 3.292 N/A SER 94.A OG THR 14.A OG1 no hydrogen 2.761 N/A VAL 96.A N ASN 117.A OD1 no hydrogen 2.829 N/A SER 98.A OG GLU 109.A OE1 no hydrogen 2.568 N/A GLY 100.A N LYS 153.A O no hydrogen 2.756 N/A LYS 103.A N HIS 101.A ND1 no hydrogen 2.933 N/A LYS 103.A NZ ASP 104.A OD1 no hydrogen 3.388 N/A LYS 103.A NZ ASP 104.A OD2 no hydrogen 3.096 N/A ASP 104.A N HIS 101.A O no hydrogen 2.965 N/A VAL 105.A N LEU 102.A O no hydrogen 3.103 N/A GLU 108.A N GLU 108.A OE2 no hydrogen 2.811 N/A GLU 109.A N THR 106.A OG1 no hydrogen 2.984 N/A PHE 110.A N THR 106.A O no hydrogen 3.035 N/A ASP 111.A N GLU 107.A O no hydrogen 3.032 N/A ARG 112.A N GLU 108.A O no hydrogen 2.938 N/A ARG 112.A NE GLU 109.A OE2 no hydrogen 2.891 N/A ARG 112.A NH2 VAL 97.A O no hydrogen 3.180 N/A ARG 112.A NH2 GLU 109.A OE1 no hydrogen 2.665 N/A VAL 113.A N GLU 109.A O no hydrogen 3.099 N/A PHE 114.A N PHE 110.A O no hydrogen 2.995 N/A SER 115.A N ASP 111.A O no hydrogen 2.961 N/A SER 115.A OG ASP 111.A O no hydrogen 2.642 N/A SER 115.A OG ARG 112.A O no hydrogen 3.078 N/A ASN 117.A N VAL 113.A O no hydrogen 2.963 N/A ASN 117.A ND2 VAL 96.A O no hydrogen 2.906 N/A ASN 117.A ND2 SER 160.A OG no hydrogen 3.085 N/A THR 118.A N PHE 114.A O no hydrogen 3.213 N/A THR 118.A OG1 SER 160.A O no hydrogen 2.816 N/A ARG 119.A N PHE 114.A O no hydrogen 2.882 N/A GLY 120.A N SER 115.A O no hydrogen 2.929 N/A GLN 121.A NE2 ASN 117.A O no hydrogen 2.869 N/A GLN 121.A NE2 THR 141.A O no hydrogen 2.868 N/A PHE 122.A N THR 118.A O no hydrogen 2.976 N/A PHE 123.A N ARG 119.A O no hydrogen 3.024 N/A VAL 124.A N GLY 120.A O no hydrogen 2.929 N/A ALA 125.A N GLN 121.A O no hydrogen 3.028 N/A ARG 126.A N PHE 122.A O no hydrogen 3.013 N/A ARG 126.A NE GLU 127.A OE2 no hydrogen 2.896 N/A ARG 126.A NH2 GLU 127.A OE2 no hydrogen 2.871 N/A GLU 127.A N PHE 123.A O no hydrogen 2.944 N/A ALA 128.A N VAL 124.A O no hydrogen 2.843 N/A TYR 129.A N ALA 125.A O no hydrogen 2.927 N/A TYR 129.A OH ASP 177.A OD1 no hydrogen 2.535 N/A ARG 130.A N ARG 126.A O no hydrogen 3.047 N/A HIS 131.A N GLU 127.A O no hydrogen 2.995 N/A HIS 131.A N ALA 128.A O no hydrogen 3.131 N/A HIS 131.A ND1 GLU 127.A O no hydrogen 2.678 N/A HIS 131.A NE2 ASP 78.A OD1 no hydrogen 2.798 N/A LEU 132.A N ALA 128.A O no hydrogen 2.782 N/A THR 133.A N LEU 87.A O no hydrogen 2.987 N/A THR 133.A OG1 LEU 87.A O no hydrogen 3.436 N/A THR 133.A OG1 ASP 88.A OD1 no hydrogen 2.645 N/A GLY 135.A N LYS 178.A O no hydrogen 2.916 N/A ARG 137.A N ASP 88.A O no hydrogen 2.911 N/A ARG 137.A NE LEU 240.A O no hydrogen 3.233 N/A ARG 137.A NE SER 242.A O no hydrogen 3.344 N/A ARG 137.A NH1 GLY 136.A O no hydrogen 3.080 N/A ARG 137.A NH2 SER 242.A O no hydrogen 2.994 N/A ILE 138.A N THR 181.A O no hydrogen 2.957 N/A VAL 139.A N ALA 90.A O no hydrogen 2.965 N/A LEU 140.A N ASN 183.A O no hydrogen 2.942 N/A THR 141.A N GLN 121.A OE1 no hydrogen 2.997 N/A THR 141.A OG1 SER 92.A O no hydrogen 2.651 N/A SER 142.A N VAL 185.A O no hydrogen 2.798 N/A SER 142.A OG LYS 161.A O no hydrogen 3.535 N/A SER 142.A OG ASP 165.A OD1 no hydrogen 2.593 N/A SER 143.A N SER 142.A OG no hydrogen 2.657 N/A SER 143.A OG ASN 144.A OD1 no hydrogen 3.544 N/A SER 143.A OG THR 145.A OG1 no hydrogen 2.855 N/A ASN 144.A N PRO 187.A O no hydrogen 3.116 N/A THR 145.A N SER 143.A OG no hydrogen 3.046 N/A THR 145.A OG1 SER 143.A OG no hydrogen 2.855 N/A SER 146.A N SER 143.A O no hydrogen 3.053 N/A SER 146.A OG ASP 165.A OD2 no hydrogen 2.531 N/A LYS 147.A NZ ASP 165.A OD2 no hydrogen 2.835 N/A ASP 148.A N ASN 144.A O no hydrogen 2.994 N/A HIS 154.A ND1 SER 98.A O no hydrogen 3.053 N/A SER 158.A N HIS 154.A O no hydrogen 3.088 N/A SER 158.A OG THR 145.A O no hydrogen 3.399 N/A SER 158.A OG HIS 154.A O no hydrogen 2.745 N/A GLY 159.A N SER 155.A O no hydrogen 2.919 N/A SER 160.A N LEU 156.A O no hydrogen 3.054 N/A SER 160.A OG PHE 157.A O no hydrogen 2.757 N/A LYS 161.A N PHE 157.A O no hydrogen 3.189 N/A LYS 161.A NZ THR 141.A O no hydrogen 3.406 N/A LYS 161.A NZ SER 142.A O no hydrogen 3.558 N/A GLY 162.A N SER 158.A O no hydrogen 2.950 N/A ALA 163.A N GLY 159.A O no hydrogen 3.142 N/A ASP 165.A N LYS 161.A O no hydrogen 3.137 N/A SER 166.A N GLY 162.A O no hydrogen 3.330 N/A PHE 167.A N ALA 163.A O no hydrogen 2.872 N/A VAL 168.A N VAL 164.A O no hydrogen 2.966 N/A ILE 170.A N SER 166.A O no hydrogen 3.313 N/A PHE 171.A N PHE 167.A O no hydrogen 2.722 N/A SER 172.A N VAL 168.A O no hydrogen 3.028 N/A SER 172.A OG ARG 169.A O no hydrogen 2.811 N/A LYS 173.A N ILE 170.A O no hydrogen 2.898 N/A LYS 173.A NZ ARG 169.A O no hydrogen 2.937 N/A LYS 173.A NZ SER 172.A OG no hydrogen 3.272 N/A ASP 174.A N ILE 170.A O no hydrogen 3.280 N/A CYS 175.A N PHE 171.A O no hydrogen 2.818 N/A CYS 175.A SG PHE 171.A O no hydrogen 3.353 N/A GLY 176.A N SER 172.A O no hydrogen 3.263 N/A ASP 177.A N ASP 174.A O no hydrogen 3.407 N/A LYS 178.A N CYS 175.A O no hydrogen 3.076 N/A LYS 178.A NZ TYR 129.A O no hydrogen 2.760 N/A LYS 178.A NZ LEU 132.A O no hydrogen 2.755 N/A LYS 179.A N GLY 176.A O no hydrogen 2.883 N/A ILE 180.A N CYS 175.A O no hydrogen 3.104 N/A THR 181.A N GLY 136.A O no hydrogen 3.296 N/A VAL 182.A N ASN 249.A OD1 no hydrogen 2.933 N/A ASN 183.A N ILE 138.A O no hydrogen 2.993 N/A ASN 183.A ND2 VAL 248.A O no hydrogen 2.913 N/A ALA 184.A N LYS 251.A O no hydrogen 2.922 N/A VAL 185.A N LEU 140.A O no hydrogen 3.024 N/A ALA 186.A N LEU 253.A O no hydrogen 2.850 N/A GLY 188.A N LEU 255.A O no hydrogen 2.967 N/A THR 190.A OG1 GLY 188.A O.A no hydrogen 2.826 N/A VAL 191.A N GLY 228.A O no hydrogen 2.885 N/A MET 194.A N THR 192.A OG1 no hydrogen 3.241 N/A PHE 195.A N THR 192.A O no hydrogen 3.100 N/A HIS 196.A NE2 GLN 215.A OE1 no hydrogen 3.155 N/A GLU 197.A N MET 194.A O no hydrogen 3.288 N/A VAL 198.A N PHE 195.A O no hydrogen 3.097 N/A HIS 201.A N VAL 198.A O no hydrogen 3.014 N/A TYR 202.A N SER 199.A O no hydrogen 3.417 N/A SER 208.A N ASN 205.A O no hydrogen 3.014 N/A SER 208.A OG ASN 205.A O no hydrogen 2.746 N/A TYR 209.A N GLY 206.A O no hydrogen 3.332 N/A THR 210.A N GLN 213.A OE1 no hydrogen 3.457 N/A THR 210.A OG1 GLU 212.A OE1 no hydrogen 2.856 N/A GLU 212.A N THR 210.A OG1 no hydrogen 3.311 N/A ARG 214.A N THR 210.A O no hydrogen 2.908 N/A ARG 214.A NE SER 199.A OG no hydrogen 2.712 N/A ARG 214.A NH2 HIS 196.A O no hydrogen 3.396 N/A ARG 214.A NH2 SER 199.A OG no hydrogen 3.360 N/A GLN 215.A N ALA 211.A O no hydrogen 2.887 N/A GLN 215.A NE2 ASN 227.A OD1 no hydrogen 3.010 N/A GLN 216.A N GLU 212.A O no hydrogen 2.925 N/A MET 217.A N GLN 213.A O no hydrogen 2.879 N/A ALA 218.A N ARG 214.A O no hydrogen 3.049 N/A ALA 219.A N GLN 215.A O no hydrogen 2.964 N/A HIS 220.A N GLN 216.A O no hydrogen 3.106 N/A HIS 220.A N MET 217.A O no hydrogen 3.164 N/A ALA 221.A N ALA 218.A O no hydrogen 3.195 N/A SER 222.A OG GLY 257.A O no hydrogen 2.752 N/A LEU 224.A N SER 222.A OG no hydrogen 3.002 N/A HIS 225.A N SER 222.A O no hydrogen 2.904 N/A HIS 225.A ND1 SER 222.A O no hydrogen 3.259 N/A ARG 226.A NH1 ASN 227.A O no hydrogen 2.887 N/A ARG 226.A NH1 ASP 232.A OD1 no hydrogen 3.505 N/A ARG 226.A NH1 ASP 232.A OD2 no hydrogen 2.803 N/A ARG 226.A NH2 ASP 232.A OD1 no hydrogen 2.868 N/A ASN 227.A ND2 GLN 215.A O no hydrogen 2.936 N/A GLY 228.A N GLY 189.A O no hydrogen 3.229 N/A TRP 229.A N ASP 232.A OD2 no hydrogen 2.792 N/A GLN 231.A NE2 HIS 27.A ND1 no hydrogen 3.217 N/A GLN 231.A NE2 ASN 235.A OD1 no hydrogen 2.961 N/A ASP 232.A N TRP 229.A O no hydrogen 2.912 N/A ALA 234.A N PRO 230.A O no hydrogen 2.951 N/A ASN 235.A N GLN 231.A O no hydrogen 2.767 N/A VAL 237.A N VAL 233.A O no hydrogen 3.044 N/A GLY 238.A N ALA 234.A O no hydrogen 2.888 N/A PHE 239.A N ASN 235.A O no hydrogen 3.350 N/A LEU 240.A N VAL 236.A O no hydrogen 2.971 N/A VAL 241.A N VAL 237.A O no hydrogen 2.958 N/A SER 242.A N PHE 239.A O no hydrogen 3.061 N/A SER 242.A OG PHE 239.A O no hydrogen 2.701 N/A SER 242.A OG GLU 244.A OE1 no hydrogen 3.408 N/A GLY 245.A N SER 242.A O no hydrogen 3.223 N/A GLU 246.A N LYS 243.A O no hydrogen 3.226 N/A VAL 248.A N GLY 245.A O no hydrogen 3.084 N/A GLY 250.A N VAL 182.A O no hydrogen 2.761 N/A LYS 251.A N ASN 183.A OD1 no hydrogen 3.037 N/A LYS 251.A NZ ASN 249.A O no hydrogen 2.811 N/A LEU 253.A N ALA 184.A O no hydrogen 2.970 N/A THR 254.A OG1 ASP 148.A OD2 no hydrogen 2.541 N/A LEU 255.A N ALA 186.A O no hydrogen 2.946 N/A GLY 258.A N ASP 256.A OD1 no hydrogen 3.030 N/A ALA 259.A N ASP 256.A O no hydrogen 3.201 N/A ALA 260.A N ASP 256.A OD2 no hydrogen 2.922 N/A