Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5itr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 5.A OE1 no hydrogen 2.647 N/A GLY 3.A N GLY 172.A O no hydrogen 2.926 N/A GLU 5.A N GLU 2.A O no hydrogen 2.716 N/A LEU 6.A N GLU 2.A O no hydrogen 2.977 N/A HIS 7.A N GLY 3.A O no hydrogen 3.008 N/A LEU 8.A N PRO 4.A O no hydrogen 2.909 N/A ALA 9.A N GLU 5.A O no hydrogen 2.728 N/A SER 10.A N LEU 6.A O no hydrogen 3.052 N/A SER 10.A OG HIS 7.A O no hydrogen 2.713 N/A GLN 11.A N HIS 7.A O no hydrogen 3.002 N/A PHE 12.A N ALA 9.A O no hydrogen 3.125 N/A VAL 13.A N ALA 9.A O no hydrogen 2.973 N/A ASN 14.A N SER 10.A O no hydrogen 3.265 N/A ASN 14.A ND2 ALA 48.A O no hydrogen 2.892 N/A GLU 15.A N GLN 11.A O no hydrogen 3.097 N/A ALA 16.A N PHE 12.A O no hydrogen 2.604 N/A CYS 17.A N VAL 13.A O no hydrogen 2.917 N/A CYS 17.A SG VAL 13.A O no hydrogen 3.181 N/A ARG 18.A N GLU 15.A O no hydrogen 3.240 N/A LEU 20.A N CYS 17.A O no hydrogen 3.074 N/A PHE 22.A N TYR 44.A O no hydrogen 2.726 N/A GLY 23.A N TYR 101.A O no hydrogen 3.198 N/A GLY 24.A N SER 41.A O no hydrogen 2.953 N/A CYS 25.A SG PHE 39.A O no hydrogen 4.045 N/A GLU 27.A N ARG 99.A O no hydrogen 2.967 N/A LYS 28.A NZ SER 29.A O no hydrogen 3.184 N/A SER 29.A N HIS 97.A O no hydrogen 2.905 N/A SER 29.A OG ALA 96.A O no hydrogen 3.162 N/A SER 29.A OG HIS 97.A ND1 no hydrogen 2.885 N/A ASN 34.A ND2 GLY 120.A O no hydrogen 3.414 N/A GLU 40.A N GLN 69.A OE1 no hydrogen 3.489 N/A SER 41.A N GLY 24.A O no hydrogen 3.175 N/A SER 41.A OG ALA 43.A O no hydrogen 3.142 N/A SER 42.A N GLN 66.A O no hydrogen 2.905 N/A ALA 43.A N SER 41.A OG no hydrogen 3.232 N/A TYR 44.A N PHE 22.A O no hydrogen 2.632 N/A ARG 45.A N SER 60.A O no hydrogen 3.133 N/A SER 47.A N ILE 58.A O no hydrogen 3.023 N/A ALA 48.A N ASN 14.A OD1 no hydrogen 2.594 N/A SER 49.A N ARG 56.A O no hydrogen 3.143 N/A ARG 51.A N GLU 54.A O no hydrogen 2.950 N/A LYS 53.A N ASN 171.A OD1 no hydrogen 2.978 N/A LYS 53.A NZ ILE 173.A O no hydrogen 2.897 N/A GLU 54.A N ARG 51.A O no hydrogen 2.935 N/A LEU 55.A N PHE 76.A O no hydrogen 2.983 N/A ARG 56.A N SER 49.A O no hydrogen 2.715 N/A ARG 56.A NH1 GLY 126.A O no hydrogen 2.601 N/A LEU 57.A N LEU 74.A O no hydrogen 2.650 N/A ILE 58.A N SER 47.A O no hydrogen 2.770 N/A LEU 59.A N LEU 72.A O no hydrogen 2.766 N/A SER 60.A N ARG 45.A O no hydrogen 2.860 N/A LEU 62.A N ALA 43.A O no hydrogen 2.748 N/A ALA 65.A N LEU 62.A O no hydrogen 3.109 N/A GLN 66.A N SER 42.A OG no hydrogen 3.349 N/A GLN 66.A NE2 GLY 64.A O no hydrogen 3.538 N/A GLN 69.A NE2 GLU 70.A O no hydrogen 3.269 N/A LEU 72.A N LEU 59.A O no hydrogen 2.831 N/A LEU 74.A N LEU 57.A O no hydrogen 2.845 N/A VAL 75.A N ASP 123.A O no hydrogen 3.510 N/A PHE 76.A N LEU 55.A O no hydrogen 2.781 N/A ARG 77.A N ARG 121.A O no hydrogen 3.019 N/A ARG 77.A NH1 GLU 54.A OE2 no hydrogen 2.858 N/A ARG 77.A NH2 ASP 123.A OD2 no hydrogen 3.044 N/A SER 81.A OG ASP 115.A OD1 no hydrogen 2.896 N/A GLY 82.A N PHE 78.A O no hydrogen 2.651 N/A SER 83.A OG VAL 114.A O no hydrogen 2.939 N/A GLN 85.A N CYS 112.A O no hydrogen 2.870 N/A VAL 87.A N ALA 110.A O no hydrogen 2.892 N/A ARG 89.A N ARG 108.A O no hydrogen 2.819 N/A GLU 91.A N PRO 88.A O no hydrogen 2.995 N/A HIS 97.A N PHE 113.A O no hydrogen 2.997 N/A HIS 97.A ND1 SER 29.A OG no hydrogen 2.885 N/A HIS 97.A NE2 ASP 115.A O no hydrogen 3.107 N/A ARG 99.A N GLU 27.A O no hydrogen 2.777 N/A ARG 99.A NE GLU 27.A OE1 no hydrogen 3.142 N/A ARG 99.A NH1 ALA 96.A O no hydrogen 2.742 N/A ARG 99.A NH2 GLU 27.A OE1 no hydrogen 2.792 N/A PHE 100.A N LEU 111.A O no hydrogen 3.036 N/A TYR 101.A OH GLU 27.A OE1 no hydrogen 2.608 N/A THR 102.A N LEU 109.A O no hydrogen 3.008 N/A ALA 103.A N VAL 21.A O no hydrogen 2.896 N/A ARG 108.A NH2 THR 102.A O no hydrogen 3.293 N/A LEU 109.A N THR 102.A OG1 no hydrogen 2.734 N/A ALA 110.A N VAL 87.A O no hydrogen 2.468 N/A LEU 111.A N PHE 100.A O no hydrogen 2.795 N/A CYS 112.A N GLN 85.A O no hydrogen 2.555 N/A CYS 112.A SG ALA 110.A O no hydrogen 3.400 N/A PHE 113.A N LEU 98.A O no hydrogen 2.910 N/A VAL 114.A N SER 83.A O no hydrogen 2.922 N/A ARG 117.A N SER 81.A OG no hydrogen 3.028 N/A ARG 118.A N ASP 115.A O no hydrogen 3.207 N/A GLY 120.A N ASP 115.A OD2 no hydrogen 2.931 N/A ARG 121.A N ARG 77.A O no hydrogen 3.002 N/A TRP 122.A NE1 PRO 35.A O no hydrogen 2.836 N/A ASP 123.A N VAL 75.A O no hydrogen 3.162 N/A GLN 129.A N GLU 54.A OE1 no hydrogen 2.897 N/A ARG 132.A N GLN 129.A O no hydrogen 3.037 N/A ARG 132.A NE ASN 171.A OD1 no hydrogen 3.226 N/A ARG 132.A NH2 ASN 171.A OD1 no hydrogen 3.167 N/A GLY 133.A N GLN 167.A O no hydrogen 2.897 N/A CYS 135.A N GLU 139.A OE1 no hydrogen 2.871 N/A VAL 136.A N ASN 171.A O no hydrogen 3.458 N/A GLU 139.A N CYS 135.A O no hydrogen 2.837 N/A PHE 143.A N GLU 139.A O no hydrogen 2.764 N/A ARG 144.A N TYR 140.A O no hydrogen 2.611 N/A ARG 144.A NH1 TYR 140.A OH no hydrogen 2.706 N/A ARG 144.A NH1 ASP 203.A OD1 no hydrogen 3.245 N/A ARG 144.A NH1 ASP 203.A OD2 no hydrogen 3.360 N/A ARG 144.A NH2 ASP 203.A OD2 no hydrogen 2.777 N/A GLU 145.A N GLN 141.A O no hydrogen 2.898 N/A ASN 146.A N GLN 142.A O no hydrogen 2.850 N/A VAL 147.A N PHE 143.A O no hydrogen 3.184 N/A LEU 148.A N ARG 144.A O no hydrogen 3.059 N/A ARG 149.A N GLU 145.A O no hydrogen 2.946 N/A ASN 150.A N VAL 147.A O no hydrogen 3.034 N/A ASN 150.A ND2 ASN 146.A O no hydrogen 2.978 N/A ASP 153.A N ASN 150.A O no hydrogen 2.898 N/A ALA 155.A N ASP 153.A OD1 no hydrogen 2.580 N/A PHE 156.A N ASP 153.A O no hydrogen 2.767 N/A ASP 157.A N LYS 154.A O no hydrogen 3.010 N/A ARG 158.A N ALA 155.A O no hydrogen 3.487 N/A ARG 158.A NH2 GLU 162.A OE1 no hydrogen 3.502 N/A ILE 160.A N GLU 191.A O no hydrogen 2.774 N/A CYS 161.A N PRO 189.A O no hydrogen 2.954 N/A CYS 161.A SG PRO 189.A O no hydrogen 3.219 N/A GLU 162.A N PRO 159.A O no hydrogen 3.023 N/A ALA 163.A N PRO 159.A O no hydrogen 3.042 N/A LEU 164.A N ILE 160.A O no hydrogen 3.032 N/A LEU 165.A N GLU 162.A O no hydrogen 2.782 N/A ASP 166.A N ALA 163.A O no hydrogen 3.017 N/A GLN 167.A NE2 LEU 165.A O no hydrogen 2.970 N/A GLN 167.A NE2 PHE 170.A O no hydrogen 3.167 N/A GLN 167.A NE2 ILE 173.A O no hydrogen 2.958 N/A ARG 168.A N ASP 166.A OD1 no hydrogen 3.092 N/A PHE 169.A N ASP 166.A O no hydrogen 3.344 N/A PHE 170.A N ASP 166.A O no hydrogen 2.935 N/A ASN 171.A ND2 ARG 51.A O no hydrogen 3.600 N/A ASN 171.A ND2 GLY 133.A O no hydrogen 2.963 N/A GLY 172.A N GLN 167.A OE1 no hydrogen 2.970 N/A ILE 173.A N PHE 170.A O no hydrogen 2.933 N/A ASN 175.A ND2 THR 257.A O no hydrogen 3.004 N/A TYR 176.A N GLU 2.A OE2 no hydrogen 3.005 N/A TYR 176.A OH GLU 5.A OE2 no hydrogen 2.560 N/A LEU 177.A N GLU 2.A OE1 no hydrogen 3.217 N/A ARG 178.A N GLY 174.A O no hydrogen 2.833 N/A ARG 178.A NE ASN 175.A OD1 no hydrogen 2.639 N/A ARG 178.A NH1 CYS 161.A O no hydrogen 2.894 N/A ARG 178.A NH1 ASP 252.A OD2 no hydrogen 2.757 N/A ARG 178.A NH2 ASN 175.A OD1 no hydrogen 2.956 N/A ARG 178.A NH2 ASP 252.A OD2 no hydrogen 3.085 N/A GLU 180.A N TYR 176.A O no hydrogen 3.090 N/A ILE 181.A N LEU 177.A O no hydrogen 2.743 N/A LEU 182.A N ARG 178.A O no hydrogen 3.070 N/A TYR 183.A N ALA 179.A O no hydrogen 3.009 N/A ARG 184.A N GLU 180.A O no hydrogen 3.124 N/A ARG 184.A NH1 GLU 214.A OE1 no hydrogen 3.335 N/A ARG 184.A NH1 GLU 214.A OE2 no hydrogen 3.062 N/A ARG 184.A NH2 GLU 214.A OE1 no hydrogen 2.843 N/A LYS 186.A N TYR 183.A O no hydrogen 3.152 N/A LYS 186.A NZ TYR 183.A O no hydrogen 3.046 N/A ILE 187.A N LEU 182.A O no hydrogen 3.071 N/A PHE 190.A N PRO 264.A O no hydrogen 2.962 N/A GLU 191.A N PRO 188.A O no hydrogen 3.082 N/A LYS 192.A N GLU 191.A OE1 no hydrogen 3.092 N/A ALA 193.A N ARG 158.A O no hydrogen 3.084 N/A ARG 194.A N PHE 156.A O no hydrogen 3.079 N/A ARG 194.A NE LEU 151.A O no hydrogen 2.708 N/A ARG 194.A NH1 ASP 157.A OD1 no hydrogen 2.513 N/A ARG 194.A NH2 LEU 151.A O no hydrogen 2.728 N/A ARG 194.A NH2 ASP 157.A OD1 no hydrogen 2.812 N/A VAL 196.A N LYS 192.A O no hydrogen 3.221 N/A LEU 197.A N ALA 193.A O no hydrogen 2.967 N/A GLU 198.A N ARG 194.A O no hydrogen 2.805 N/A LEU 200.A N LEU 197.A O no hydrogen 2.839 N/A GLN 201.A N GLU 198.A O no hydrogen 2.986 N/A ASP 203.A N GLU 206.A OE1 no hydrogen 2.906 N/A GLU 206.A N ASP 203.A OD1 no hydrogen 2.921 N/A LEU 207.A N ASP 203.A O no hydrogen 3.063 N/A CYS 208.A N LEU 204.A O no hydrogen 3.047 N/A CYS 208.A SG LEU 204.A O no hydrogen 3.252 N/A HIS 209.A N GLU 206.A O no hydrogen 3.136 N/A HIS 209.A ND1 VAL 136.A O no hydrogen 2.796 N/A SER 210.A N GLU 206.A O no hydrogen 2.956 N/A SER 210.A OG GLU 206.A O no hydrogen 3.143 N/A VAL 211.A N LEU 207.A O no hydrogen 2.867 N/A LYS 213.A N HIS 209.A O no hydrogen 3.044 N/A GLU 214.A N SER 210.A O no hydrogen 2.908 N/A GLU 214.A N VAL 211.A O no hydrogen 2.939 N/A VAL 215.A N PRO 212.A O no hydrogen 3.155 N/A VAL 216.A N PRO 212.A O no hydrogen 3.335 N/A GLN 217.A N LYS 213.A O no hydrogen 3.174 N/A GLN 217.A N GLU 214.A O no hydrogen 3.016 N/A LEU 218.A N GLU 214.A O no hydrogen 3.041 N/A GLY 219.A N VAL 216.A O no hydrogen 2.909 N/A ARG 221.A NE ASP 231.A OD2 no hydrogen 3.333 N/A ARG 221.A NH2 ASP 231.A OD2 no hydrogen 3.327 N/A TYR 223.A N GLU 5.A OE2 no hydrogen 2.977 N/A SER 225.A N GLY 222.A O no hydrogen 2.989 N/A SER 225.A OG GLY 222.A O no hydrogen 2.907 N/A GLU 229.A N GLU 226.A O no hydrogen 2.690 N/A PHE 235.A N ASP 231.A O no hydrogen 3.063 N/A ARG 236.A N PHE 232.A O no hydrogen 3.054 N/A ALA 237.A N ALA 233.A O no hydrogen 2.857 N/A TRP 238.A N PHE 235.A O no hydrogen 2.824 N/A TRP 238.A NE1 GLU 214.A OE1 no hydrogen 2.987 N/A LEU 239.A N PHE 235.A O no hydrogen 3.131 N/A ARG 240.A N GLU 180.A OE1 no hydrogen 2.812 N/A CYS 241.A N GLU 180.A OE2 no hydrogen 2.842 N/A TYR 242.A N GLU 180.A OE2 no hydrogen 2.817 N/A MET 244.A N CYS 241.A O no hydrogen 2.874 N/A MET 247.A N MET 244.A O no hydrogen 3.318 N/A SER 248.A N PHE 260.A O no hydrogen 2.716 N/A LEU 250.A N ILE 258.A O no hydrogen 3.005 N/A GLN 251.A NE2 GLY 255.A O no hydrogen 2.498 N/A GLN 251.A NE2 THR 257.A OG1 no hydrogen 3.285 N/A ASP 252.A N ARG 256.A O no hydrogen 2.826 N/A ARG 253.A N GLU 162.A OE2 no hydrogen 3.111 N/A HIS 254.A N ASP 252.A OD1 no hydrogen 3.053 N/A GLY 255.A N ASP 252.A O no hydrogen 3.001 N/A ARG 256.A N ASP 252.A OD1 no hydrogen 2.809 N/A THR 257.A OG1 GLN 251.A OE1 no hydrogen 3.391 N/A ILE 258.A N LEU 250.A O no hydrogen 2.858 N/A PHE 260.A N SER 248.A O no hydrogen 3.027 N/A GLY 265.A N ASP 263.A OD1 no hydrogen 3.004 N/A LEU 267.A N PHE 190.A O no hydrogen 2.867 N/A ALA 268.A N GLY 265.A O no hydrogen 3.283 N/A