Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mgg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 4.A OE1 no hydrogen 3.169 N/A LYS 5.A N GLU 1.A O no hydrogen 2.776 N/A LEU 6.A N THR 2.A O no hydrogen 2.564 N/A LEU 7.A N LEU 3.A O no hydrogen 2.984 N/A HIS 8.A N GLU 4.A O no hydrogen 2.979 N/A HIS 9.A N LYS 5.A O no hydrogen 3.148 N/A ASP 10.A N ASP 10.A OD1 no hydrogen 2.642 N/A THR 11.A N HIS 8.A O no hydrogen 3.033 N/A THR 11.A OG1 HIS 8.A O no hydrogen 2.723 N/A VAL 12.A N ASP 10.A O no hydrogen 3.130 N/A GLY 16.A N ASP 39.A O no hydrogen 2.746 N/A ALA 17.A N PRO 14.A O no hydrogen 3.239 N/A LYS 18.A N ASP 85.A OD2 no hydrogen 2.769 N/A VAL 19.A N GLU 41.A O no hydrogen 2.859 N/A LEU 20.A N HIS 86.A O no hydrogen 3.043 N/A GLU 21.A N THR 43.A O no hydrogen 2.765 N/A ALA 22.A N PHE 88.A O no hydrogen 3.032 N/A CYS 24.A N ILE 45.A O no hydrogen 3.017 N/A CYS 24.A SG GLY 25.A O no hydrogen 3.862 N/A CYS 24.A SG ILE 45.A O no hydrogen 3.500 N/A GLY 25.A N ASP 46.A OD1 no hydrogen 2.949 N/A GLY 27.A N CYS 24.A O no hydrogen 2.826 N/A THR 30.A OG1 GLU 21.A OE1 no hydrogen 2.609 N/A THR 30.A OG1 GLU 21.A OE2 no hydrogen 3.193 N/A VAL 31.A N GLY 27.A O no hydrogen 3.182 N/A LEU 33.A N GLN 29.A O no hydrogen 2.835 N/A ALA 34.A N THR 30.A O no hydrogen 2.831 N/A LYS 35.A N VAL 31.A O no hydrogen 3.028 N/A LYS 35.A NZ ASN 62.A OD1 no hydrogen 2.764 N/A ASN 36.A N ILE 32.A O no hydrogen 3.018 N/A ASN 37.A N LEU 33.A O no hydrogen 2.999 N/A ASN 37.A N ALA 34.A O no hydrogen 3.238 N/A ASN 37.A ND2 TYR 13.A O no hydrogen 3.570 N/A ALA 40.A N ASN 37.A O no hydrogen 3.130 N/A GLU 41.A N ALA 17.A O no hydrogen 2.786 N/A ILE 42.A N ASN 66.A O no hydrogen 3.089 N/A THR 43.A N VAL 19.A O no hydrogen 2.762 N/A SER 44.A N LYS 68.A O no hydrogen 2.856 N/A SER 44.A OG GLU 21.A OE1 no hydrogen 2.732 N/A ILE 45.A N GLU 21.A O no hydrogen 3.031 N/A ASP 46.A N LEU 70.A O no hydrogen 3.403 N/A SER 48.A N ASP 46.A OD2 no hydrogen 2.985 N/A SER 51.A N SER 48.A OG no hydrogen 3.252 N/A LEU 52.A N SER 48.A O no hydrogen 3.076 N/A GLU 53.A N PRO 49.A O no hydrogen 2.952 N/A GLU 53.A N GLU 50.A O no hydrogen 3.202 N/A LYS 54.A N GLU 50.A O no hydrogen 3.188 N/A LYS 54.A NZ GLU 50.A O no hydrogen 3.545 N/A ALA 55.A N SER 51.A O no hydrogen 2.871 N/A ARG 56.A N LEU 52.A O no hydrogen 2.945 N/A GLU 57.A N GLU 53.A O no hydrogen 3.159 N/A ASN 58.A N LYS 54.A O no hydrogen 3.062 N/A ASN 58.A ND2 ILE 26.A O no hydrogen 3.564 N/A THR 59.A N ALA 55.A O no hydrogen 2.937 N/A THR 59.A OG1 ALA 55.A O no hydrogen 3.459 N/A THR 59.A OG1 ARG 56.A O no hydrogen 2.931 N/A GLU 60.A N ARG 56.A O no hydrogen 2.883 N/A LYS 61.A N GLU 57.A O no hydrogen 2.932 N/A ASN 62.A N THR 59.A O no hydrogen 3.101 N/A ASN 62.A ND2 ASN 58.A O no hydrogen 2.803 N/A GLY 63.A N GLU 60.A O no hydrogen 2.941 N/A ILE 64.A N THR 59.A O no hydrogen 2.947 N/A ASN 66.A ND2 ASN 37.A O no hydrogen 2.935 N/A ASN 66.A ND2 ALA 40.A O no hydrogen 2.901 N/A LYS 68.A N ILE 42.A O no hydrogen 2.927 N/A LEU 70.A N SER 44.A O no hydrogen 2.954 N/A ALA 72.A N ASP 46.A O no hydrogen 3.114 N/A PHE 75.A N ASN 73.A OD1 no hydrogen 2.885 N/A SER 76.A N ASN 73.A O no hydrogen 2.879 N/A SER 82.A N LYS 108.A O no hydrogen 2.904 N/A SER 82.A OG LEU 110.A O no hydrogen 3.473 N/A SER 83.A N VAL 109.A O no hydrogen 2.901 N/A SER 83.A OG GLU 80.A O no hydrogen 2.771 N/A PHE 84.A N VAL 109.A O no hydrogen 2.990 N/A ASP 85.A N LYS 18.A O no hydrogen 2.824 N/A HIS 86.A N LYS 18.A O no hydrogen 3.254 N/A HIS 86.A ND1 THR 115.A OG1 no hydrogen 2.720 N/A ILE 87.A N THR 115.A O no hydrogen 2.863 N/A PHE 88.A N LEU 20.A O no hydrogen 2.810 N/A VAL 89.A N THR 117.A O no hydrogen 2.713 N/A PHE 91.A N ILE 119.A O no hydrogen 2.864 N/A VAL 92.A N GLU 120.A OE2 no hydrogen 2.818 N/A LEU 93.A N GLU 120.A OE2 no hydrogen 2.824 N/A GLU 94.A N GLU 120.A OE1 no hydrogen 3.078 N/A HIS 95.A N VAL 92.A O no hydrogen 3.142 N/A LEU 96.A N LEU 93.A O no hydrogen 3.140 N/A ALA 102.A N SER 98.A O no hydrogen 3.265 N/A LEU 103.A N PRO 99.A O no hydrogen 3.030 N/A LYS 104.A N GLU 100.A O no hydrogen 3.185 N/A LYS 104.A NZ GLU 101.A OE2 no hydrogen 3.053 N/A SER 105.A N GLU 101.A O no hydrogen 2.941 N/A SER 105.A OG ILE 74.A O no hydrogen 2.488 N/A LEU 106.A N ALA 102.A O no hydrogen 3.010 N/A LYS 107.A N LEU 103.A O no hydrogen 2.930 N/A LYS 107.A NZ SER 165.A O no hydrogen 2.534 N/A LYS 108.A N SER 105.A O no hydrogen 3.145 N/A VAL 109.A N LEU 106.A O no hydrogen 3.159 N/A LEU 110.A N LYS 107.A O no hydrogen 3.159 N/A LYS 111.A N PHE 84.A O no hydrogen 2.847 N/A LYS 111.A NZ ASP 85.A OD1 no hydrogen 2.940 N/A GLY 113.A N LYS 242.A O no hydrogen 2.913 N/A GLY 114.A N LYS 111.A O no hydrogen 2.682 N/A THR 115.A OG1 HIS 86.A ND1 no hydrogen 2.720 N/A ILE 116.A N GLY 240.A O no hydrogen 2.863 N/A THR 117.A N ILE 87.A O no hydrogen 2.936 N/A VAL 118.A N GLY 238.A O no hydrogen 2.789 N/A ILE 119.A N VAL 89.A O no hydrogen 2.837 N/A GLU 120.A N PHE 236.A O no hydrogen 3.111 N/A HIS 123.A N SER 152.A O no hydrogen 2.867 N/A HIS 123.A ND1 TYR 233.A OH no hydrogen 2.761 N/A GLY 124.A N ASP 122.A OD1 no hydrogen 2.843 N/A SER 125.A N ASP 122.A O no hydrogen 2.935 N/A SER 125.A OG ASP 122.A O no hydrogen 2.787 N/A SER 125.A OG THR 234.A O no hydrogen 3.380 N/A CYS 126.A N HIS 123.A O no hydrogen 3.337 N/A CYS 126.A SG CYS 232.A O no hydrogen 3.802 N/A TYR 127.A N CYS 232.A O no hydrogen 3.170 N/A HIS 129.A N THR 230.A O no hydrogen 2.889 N/A HIS 129.A ND1 GLU 131.A OE2 no hydrogen 2.721 N/A LYS 134.A N GLU 220.A OE1 no hydrogen 2.785 N/A LYS 134.A NZ GLU 137.A OE1 no hydrogen 2.826 N/A LYS 134.A NZ GLU 137.A OE2 no hydrogen 2.814 N/A LYS 134.A NZ GLU 213.A OE2 no hydrogen 2.579 N/A ALA 135.A N GLU 220.A OE1 no hydrogen 2.984 N/A ILE 136.A N GLY 132.A O no hydrogen 2.949 N/A GLU 137.A N LYS 133.A O no hydrogen 3.148 N/A ALA 138.A N LYS 134.A O no hydrogen 2.961 N/A TRP 139.A N ALA 135.A O no hydrogen 2.937 N/A TRP 139.A NE1 HIS 123.A O no hydrogen 2.909 N/A ASN 140.A N ILE 136.A O no hydrogen 2.914 N/A CYS 141.A N GLU 137.A O no hydrogen 3.128 N/A CYS 141.A N ALA 138.A O no hydrogen 3.060 N/A CYS 141.A SG GLU 137.A O no hydrogen 3.432 N/A LEU 142.A N TRP 139.A O no hydrogen 3.137 N/A ARG 144.A N ASN 140.A O no hydrogen 2.877 N/A VAL 145.A N CYS 141.A O no hydrogen 2.746 N/A GLN 146.A N LEU 142.A O no hydrogen 3.050 N/A GLN 146.A NE2 GLU 94.A O no hydrogen 2.975 N/A GLN 146.A NE2 GLU 94.A OE1 no hydrogen 3.047 N/A ALA 147.A N ILE 143.A O no hydrogen 3.103 N/A TYR 148.A N ARG 144.A O no hydrogen 2.997 N/A GLY 150.A N GLN 146.A O no hydrogen 2.905 N/A ASN 151.A N GLU 94.A O no hydrogen 2.697 N/A ASN 151.A ND2 GLN 157.A OE1 no hydrogen 3.403 N/A LEU 153.A N ASN 151.A OD1 no hydrogen 3.009 N/A VAL 154.A N ASN 151.A O no hydrogen 3.171 N/A GLY 155.A N GLY 121.A O no hydrogen 3.101 N/A ARG 156.A N ASP 122.A OD2 no hydrogen 3.058 N/A ARG 156.A NE ASP 122.A OD2 no hydrogen 2.766 N/A ARG 156.A NH2 ASP 122.A OD1 no hydrogen 2.865 N/A ARG 156.A NH2 ASP 122.A OD2 no hydrogen 3.535 N/A GLN 157.A N VAL 154.A O no hydrogen 2.877 N/A ILE 158.A N GLY 155.A O no hydrogen 3.133 N/A LEU 161.A N GLN 157.A O no hydrogen 3.087 N/A LEU 162.A N ILE 158.A O no hydrogen 2.945 N/A GLN 163.A N TYR 159.A O no hydrogen 2.870 N/A GLU 164.A N PRO 160.A O no hydrogen 2.815 N/A SER 165.A N LEU 161.A O no hydrogen 3.054 N/A SER 165.A OG LEU 161.A O no hydrogen 2.832 N/A SER 165.A OG LEU 162.A O no hydrogen 3.025 N/A GLY 166.A N GLN 163.A O no hydrogen 3.184 N/A PHE 167.A N LEU 162.A O no hydrogen 3.116 N/A GLU 168.A N THR 241.A O no hydrogen 2.747 N/A ARG 171.A N TRP 239.A O no hydrogen 3.132 N/A GLU 173.A N LYS 237.A O no hydrogen 2.938 N/A ARG 175.A N PHE 235.A O no hydrogen 2.744 N/A ARG 175.A NE GLU 173.A OE2 no hydrogen 2.579 N/A ARG 175.A NH1 LEU 6.A O no hydrogen 2.889 N/A ARG 175.A NH1 ASP 10.A OD1 no hydrogen 3.166 N/A ARG 175.A NH2 ASP 10.A OD1 no hydrogen 3.547 N/A ARG 175.A NH2 ASP 10.A OD2 no hydrogen 2.999 N/A ARG 175.A NH2 GLU 173.A OE2 no hydrogen 2.577 N/A TYR 177.A OH ASP 179.A OD2 no hydrogen 2.786 N/A ILE 178.A N PHE 231.A O no hydrogen 2.764 N/A SER 181.A N ASP 179.A OD1 no hydrogen 2.798 N/A SER 181.A OG ASP 179.A OD1 no hydrogen 2.540 N/A LYS 182.A N ASP 179.A O no hydrogen 2.979 N/A LYS 182.A NZ TYR 177.A O no hydrogen 3.211 N/A LEU 185.A N LYS 182.A O no hydrogen 2.997 N/A VAL 186.A N LYS 182.A O no hydrogen 3.081 N/A ASP 187.A N PRO 183.A O no hydrogen 3.080 N/A GLY 188.A N GLU 184.A O no hydrogen 2.843 N/A PHE 189.A N LEU 185.A O no hydrogen 2.694 N/A ILE 190.A N LEU 185.A O no hydrogen 3.323 N/A LEU 191.A N VAL 186.A O no hydrogen 3.063 N/A LYS 192.A N ASP 187.A O no hydrogen 2.902 N/A LYS 192.A NZ ASP 187.A OD2 no hydrogen 3.420 N/A THR 193.A N PHE 189.A O no hydrogen 3.090 N/A THR 193.A OG1 GLY 188.A O no hydrogen 2.861 N/A ILE 194.A N PHE 189.A O no hydrogen 2.724 N/A ILE 195.A N ILE 190.A O no hydrogen 3.022 N/A GLU 198.A N ILE 195.A O no hydrogen 2.885 N/A GLY 199.A N PRO 196.A O no hydrogen 2.910 N/A VAL 200.A N VAL 197.A O no hydrogen 2.934 N/A LYS 201.A N GLU 198.A O no hydrogen 3.253 N/A LYS 201.A NZ GLU 211.A OE2 no hydrogen 2.849 N/A SER 204.A N VAL 200.A O no hydrogen 2.957 N/A SER 204.A OG VAL 200.A O no hydrogen 2.687 N/A LEU 205.A N LYS 201.A O no hydrogen 2.982 N/A LYS 206.A N GLU 202.A O no hydrogen 3.044 N/A LYS 206.A NZ GLU 202.A OE2 no hydrogen 3.188 N/A ILE 208.A N SER 204.A O no hydrogen 3.221 N/A TRP 214.A N LYS 210.A O no hydrogen 2.907 N/A GLU 215.A N GLU 211.A O no hydrogen 3.026 N/A LYS 216.A N GLU 212.A O no hydrogen 3.232 N/A GLY 217.A N GLU 213.A O no hydrogen 2.908 N/A ILE 218.A N TRP 214.A O no hydrogen 3.033 N/A GLU 219.A N GLU 215.A O no hydrogen 3.216 N/A GLU 220.A N LYS 216.A O no hydrogen 2.949 N/A LEU 221.A N GLY 217.A O no hydrogen 2.902 N/A HIS 222.A N ILE 218.A O no hydrogen 3.066 N/A HIS 222.A ND1 ILE 218.A O no hydrogen 3.185 N/A LYS 223.A N GLU 220.A O no hydrogen 3.169 N/A THR 224.A N LEU 221.A O no hydrogen 3.110 N/A THR 224.A OG1 LEU 221.A O no hydrogen 2.637 N/A ALA 225.A N HIS 222.A O no hydrogen 3.056 N/A GLU 226.A N LYS 223.A O no hydrogen 3.208 N/A GLY 229.A N GLU 226.A O no hydrogen 2.933 N/A THR 230.A N HIS 129.A O no hydrogen 2.917 N/A PHE 231.A N ILE 178.A O no hydrogen 2.901 N/A CYS 232.A N TYR 127.A O no hydrogen 2.948 N/A TYR 233.A N VAL 176.A O no hydrogen 3.055 N/A TYR 233.A OH HIS 123.A ND1 no hydrogen 2.761 N/A THR 234.A N SER 125.A OG no hydrogen 2.763 N/A PHE 235.A N ARG 175.A O no hydrogen 2.900 N/A PHE 236.A N GLU 120.A O no hydrogen 2.879 N/A LYS 237.A N GLU 173.A O no hydrogen 2.945 N/A LYS 237.A NZ LEU 7.A O no hydrogen 2.815 N/A LYS 237.A NZ ASP 10.A OD1 no hydrogen 2.768 N/A GLY 238.A N VAL 118.A O no hydrogen 2.777 N/A TRP 239.A N ARG 171.A O no hydrogen 2.846 N/A GLY 240.A N ILE 116.A O no hydrogen 3.001 N/A THR 241.A N GLU 168.A O no hydrogen 2.819 N/A LYS 242.A N GLY 114.A O no hydrogen 2.987 N/A LYS 242.A NZ LYS 107.A O no hydrogen 2.867 N/A LYS 242.A NZ LEU 110.A O no hydrogen 2.751 N/A