Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mej_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 VAL 2.A O no hydrogen 3.059 N/A ALA 5.A N ASP 81.A OD2 no hydrogen 2.899 N/A ARG 6.A NH1 VAL 94.A O no hydrogen 3.449 N/A ARG 6.A NH2 VAL 94.A O no hydrogen 2.992 N/A GLN 9.A NE2 LYS 15.A O no hydrogen 2.963 N/A SER 10.A OG GLU 88.A OE1 no hydrogen 2.728 N/A SER 10.A OG GLU 88.A OE2 no hydrogen 3.282 N/A LYS 12.A N SER 10.A OG no hydrogen 3.085 N/A ARG 13.A N SER 10.A O no hydrogen 3.072 N/A ARG 13.A NE ASP 95.A OD1 no hydrogen 2.783 N/A ARG 13.A NH2 SER 23.A O no hydrogen 3.003 N/A ARG 13.A NH2 ASP 95.A OD1 no hydrogen 3.541 N/A ARG 13.A NH2 ASP 95.A OD2 no hydrogen 2.722 N/A PHE 17.A N GLN 9.A OE1 no hydrogen 2.889 N/A SER 23.A OG PHE 44.A O no hydrogen 3.428 N/A SER 23.A OG ASP 242.A O no hydrogen 3.086 N/A PHE 24.A N PHE 44.A O no hydrogen 3.283 N/A SER 25.A N ASP 95.A OD2 no hydrogen 3.083 N/A SER 25.A OG PRO 93.A O no hydrogen 2.587 N/A VAL 26.A N VAL 42.A O no hydrogen 2.846 N/A LEU 27.A N TYR 96.A O no hydrogen 2.772 N/A LEU 28.A N VAL 40.A O no hydrogen 2.751 N/A LEU 29.A N VAL 98.A O no hydrogen 2.872 N/A GLY 30.A N ALA 38.A O no hydrogen 3.168 N/A ILE 31.A N SER 100.A O no hydrogen 2.921 N/A ASP 37.A N GLY 30.A O no hydrogen 2.865 N/A ALA 38.A N GLY 30.A O no hydrogen 3.082 N/A ASN 39.A ND2 SER 36.A OG no hydrogen 2.939 N/A VAL 40.A N LEU 28.A O no hydrogen 3.121 N/A LEU 41.A N LEU 53.A O no hydrogen 2.887 N/A VAL 42.A N VAL 26.A O no hydrogen 2.809 N/A THR 43.A N LYS 52.A O no hydrogen 2.953 N/A THR 43.A OG1 ASP 242.A OD2 no hydrogen 2.847 N/A PHE 44.A N PHE 24.A O no hydrogen 2.808 N/A ASN 45.A N THR 50.A O no hydrogen 2.921 N/A ASN 45.A ND2 ASP 242.A OD1 no hydrogen 3.141 N/A ARG 46.A N SER 23.A OG no hydrogen 2.939 N/A ARG 46.A NH1 GLY 20.A O no hydrogen 2.802 N/A GLU 48.A N ASN 45.A OD1 no hydrogen 3.295 N/A LYS 49.A N ASN 45.A O no hydrogen 2.904 N/A LYS 49.A N ARG 46.A O no hydrogen 3.179 N/A LYS 49.A NZ SER 203.A O no hydrogen 2.835 N/A LYS 49.A NZ SER 203.A OG no hydrogen 2.960 N/A THR 50.A N ASN 45.A O no hydrogen 3.360 N/A ALA 51.A N SER 206.A O no hydrogen 3.111 N/A LYS 52.A N THR 43.A O no hydrogen 2.830 N/A LYS 52.A NZ GLU 238.A OE2 no hydrogen 2.721 N/A ILE 55.A N ASN 39.A O no hydrogen 2.886 N/A ALA 59.A N PRO 56.A O no hydrogen 3.003 N/A TYR 60.A N PHE 225.A O no hydrogen 2.923 N/A VAL 61.A N ASP 69.A O no hydrogen 3.034 N/A ASN 62.A ND2 GLU 89.A OE2 no hydrogen 2.619 N/A ILE 63.A N GLY 67.A O no hydrogen 3.019 N/A HIS 66.A N ILE 63.A O no hydrogen 2.650 N/A ASP 69.A N VAL 61.A O no hydrogen 2.932 N/A LYS 70.A N ASP 69.A OD1 no hydrogen 2.808 N/A LYS 70.A NZ ASP 58.A OD1 no hydrogen 3.334 N/A PHE 71.A N ALA 59.A O no hydrogen 2.804 N/A THR 72.A N ARG 57.A O no hydrogen 2.956 N/A THR 72.A OG1 SER 36.A O no hydrogen 3.107 N/A HIS 73.A N LYS 70.A O no hydrogen 2.909 N/A HIS 73.A ND1 ASP 69.A OD1 no hydrogen 3.172 N/A HIS 73.A ND1 ASP 69.A OD2 no hydrogen 3.359 N/A ALA 74.A N PHE 71.A O no hydrogen 3.273 N/A HIS 75.A ND1 ALA 34.A O no hydrogen 2.559 N/A HIS 75.A NE2 GLU 99.A OE1 no hydrogen 2.673 N/A TYR 77.A N HIS 73.A O no hydrogen 2.747 N/A TYR 77.A OH ASP 69.A OD2 no hydrogen 2.700 N/A GLY 78.A N ALA 74.A O no hydrogen 2.965 N/A GLY 79.A N HIS 75.A O no hydrogen 2.999 N/A THR 83.A N GLY 79.A O no hydrogen 3.238 N/A THR 83.A OG1 GLY 79.A O no hydrogen 3.201 N/A VAL 84.A N VAL 80.A O no hydrogen 2.931 N/A LYS 85.A N ASP 81.A O no hydrogen 3.074 N/A THR 86.A N LEU 82.A O no hydrogen 2.903 N/A THR 86.A OG1 LEU 82.A O no hydrogen 2.842 N/A VAL 87.A N THR 83.A O no hydrogen 2.968 N/A GLU 88.A N VAL 84.A O no hydrogen 2.954 N/A GLU 89.A N LYS 85.A O no hydrogen 2.826 N/A VAL 94.A N GLU 88.A OE1 no hydrogen 2.374 N/A ASP 95.A N SER 25.A OG no hydrogen 3.165 N/A TYR 96.A N SER 25.A O no hydrogen 3.021 N/A VAL 97.A N ASN 188.A OD1 no hydrogen 2.782 N/A VAL 98.A N LEU 27.A O no hydrogen 2.878 N/A GLU 99.A N LYS 187.A O no hydrogen 2.773 N/A SER 100.A N LEU 29.A O no hydrogen 2.940 N/A PHE 105.A N ASN 101.A O no hydrogen 3.405 N/A GLU 106.A N PHE 102.A O no hydrogen 3.131 N/A GLU 106.A N THR 103.A O no hydrogen 2.786 N/A ASP 107.A N THR 103.A O no hydrogen 3.097 N/A VAL 108.A N ALA 104.A O no hydrogen 3.028 N/A VAL 109.A N PHE 105.A O no hydrogen 3.219 N/A ASN 110.A N GLU 106.A O no hydrogen 3.510 N/A ASN 110.A ND2 ASP 107.A O no hydrogen 3.323 N/A GLU 111.A N ASP 107.A O no hydrogen 2.875 N/A LEU 112.A N VAL 108.A O no hydrogen 3.027 N/A LEU 112.A N VAL 109.A O no hydrogen 2.965 N/A GLY 114.A N VAL 109.A O no hydrogen 2.899 N/A VAL 115.A N LEU 145.A O no hydrogen 2.874 N/A VAL 117.A N HIS 143.A O no hydrogen 2.928 N/A THR 118.A OG1 THR 142.A OG1 no hydrogen 3.017 N/A VAL 119.A N GLY 141.A O no hydrogen 3.227 N/A ILE 125.A N SER 121.A O no hydrogen 3.033 N/A GLN 126.A N ASP 122.A O no hydrogen 2.893 N/A GLN 127.A N LYS 123.A O no hydrogen 2.979 N/A ILE 128.A N VAL 124.A O no hydrogen 3.067 N/A LYS 129.A N ILE 125.A O no hydrogen 2.959 N/A LYS 129.A NZ GLN 126.A OE1 no hydrogen 3.326 N/A LYS 130.A N GLN 126.A O no hydrogen 2.980 N/A ASP 131.A N GLN 127.A O no hydrogen 2.669 N/A THR 132.A N ILE 128.A O no hydrogen 2.927 N/A THR 132.A OG1 ILE 128.A O no hydrogen 2.623 N/A THR 132.A OG1 LYS 129.A O no hydrogen 3.498 N/A THR 132.A OG1 VAL 136.A O no hydrogen 3.324 N/A LYS 133.A N LYS 130.A O no hydrogen 3.220 N/A GLY 134.A N LYS 129.A O no hydrogen 2.617 N/A LYS 135.A N THR 132.A O no hydrogen 3.105 N/A VAL 136.A N THR 132.A OG1 no hydrogen 3.273 N/A LYS 140.A NZ ASP 122.A OD1 no hydrogen 2.369 N/A GLY 141.A N VAL 119.A O no hydrogen 3.002 N/A THR 142.A OG1 THR 118.A OG1 no hydrogen 3.017 N/A HIS 143.A N VAL 117.A O no hydrogen 3.333 N/A HIS 143.A NE2 LYS 140.A O no hydrogen 2.664 N/A LEU 145.A N VAL 115.A O no hydrogen 2.823 N/A ASP 146.A N GLU 149.A OE1 no hydrogen 3.178 N/A GLY 147.A N ASN 110.A OD1 no hydrogen 3.350 N/A GLU 149.A N ASP 146.A OD1 no hydrogen 3.117 N/A ALA 150.A N ASP 146.A O no hydrogen 2.785 N/A LEU 151.A N GLY 147.A O no hydrogen 2.633 N/A ALA 152.A N GLU 148.A O no hydrogen 3.073 N/A TYR 153.A N GLU 149.A O no hydrogen 2.941 N/A TYR 153.A OH GLU 168.A OE1 no hydrogen 2.623 N/A VAL 154.A N ALA 150.A O no hydrogen 3.055 N/A VAL 154.A N LEU 151.A O no hydrogen 3.055 N/A ARG 155.A N ALA 152.A O no hydrogen 3.276 N/A THR 156.A N ALA 152.A O no hydrogen 3.182 N/A THR 156.A OG1 ASP 131.A OD2 no hydrogen 2.997 N/A ARG 163.A NH2 ASP 37.A O no hydrogen 3.406 N/A ARG 163.A NH2 ASP 37.A OD2 no hydrogen 3.367 N/A ARG 166.A N LEU 162.A O no hydrogen 3.044 N/A GLN 167.A N ARG 163.A O no hydrogen 2.944 N/A GLN 167.A NE2 ASP 37.A O no hydrogen 3.475 N/A VAL 169.A N ARG 166.A O no hydrogen 3.077 N/A LEU 170.A N GLN 167.A O no hydrogen 2.969 N/A SER 171.A OG GLU 168.A O no hydrogen 2.739 N/A ALA 172.A N GLU 168.A O no hydrogen 3.088 N/A ILE 173.A N VAL 169.A O no hydrogen 2.780 N/A ILE 174.A N LEU 170.A O no hydrogen 3.169 N/A ASP 175.A N SER 171.A O no hydrogen 2.996 N/A LYS 176.A N ALA 172.A O no hydrogen 2.810 N/A LYS 176.A NZ LEU 112.A O no hydrogen 3.015 N/A LYS 176.A NZ GLY 114.A O no hydrogen 2.776 N/A SER 177.A N ILE 173.A O no hydrogen 2.910 N/A SER 177.A N ILE 174.A O no hydrogen 3.124 N/A SER 177.A OG ILE 174.A O no hydrogen 2.917 N/A LYS 178.A N ILE 174.A O no hydrogen 3.104 N/A LYS 178.A N ASP 175.A O no hydrogen 3.132 N/A LYS 178.A NZ ASP 175.A OD1 no hydrogen 2.846 N/A SER 179.A OG LYS 176.A O no hydrogen 3.274 N/A LYS 187.A N GLU 99.A O no hydrogen 2.956 N/A LYS 187.A NZ GLU 99.A OE2 no hydrogen 3.245 N/A ASN 188.A ND2 ASP 95.A O no hydrogen 3.086 N/A ASP 193.A N SER 190.A OG no hydrogen 2.829 N/A ALA 194.A N SER 190.A O no hydrogen 2.772 N/A ILE 195.A N LEU 191.A O no hydrogen 2.709 N/A GLY 196.A N LYS 192.A O no hydrogen 3.384 N/A GLY 196.A N ASP 193.A O no hydrogen 3.004 N/A LEU 197.A N ASP 193.A O no hydrogen 3.358 N/A LEU 197.A N ALA 194.A O no hydrogen 2.938 N/A PHE 198.A N ILE 195.A O no hydrogen 3.255 N/A ILE 201.A N LEU 197.A O no hydrogen 2.871 N/A THR 202.A N PRO 199.A O no hydrogen 3.250 N/A SER 203.A N PHE 200.A O no hydrogen 3.124 N/A SER 203.A OG PRO 199.A O no hydrogen 3.181 N/A LYS 205.A N LYS 49.A O no hydrogen 2.739 N/A GLU 208.A N ALA 51.A O no hydrogen 3.023 N/A TYR 215.A N LYS 226.A O no hydrogen 2.813 N/A TYR 217.A N TYR 224.A O no hydrogen 2.821 N/A TYR 223.A OH ASP 216.A OD1 no hydrogen 3.043 N/A TYR 224.A N TYR 217.A O no hydrogen 2.956 N/A PHE 225.A N ASP 58.A O no hydrogen 2.792 N/A LYS 226.A N TYR 215.A O no hydrogen 2.738 N/A ASN 228.A N THR 213.A O no hydrogen 2.982 N/A GLN 229.A NE2 LEU 227.A O no hydrogen 3.308 N/A LYS 231.A N ASN 228.A OD1 no hydrogen 2.811 N/A LYS 231.A NZ GLN 211.A O no hydrogen 3.156 N/A LEU 232.A N ASN 228.A O no hydrogen 2.991 N/A GLN 233.A N GLN 229.A O no hydrogen 3.203 N/A GLU 234.A N GLN 230.A O no hydrogen 3.177 N/A VAL 235.A N LYS 231.A O no hydrogen 3.000 N/A LYS 236.A N LEU 232.A O no hydrogen 2.846 N/A LYS 236.A NZ GLN 233.A OE1 no hydrogen 3.064 N/A LYS 237.A N GLN 233.A O no hydrogen 3.043 N/A GLU 238.A N GLU 234.A O no hydrogen 2.920 N/A LEU 239.A N VAL 235.A O no hydrogen 2.855 N/A GLN 240.A N LYS 236.A O no hydrogen 2.824 N/A ASN 241.A N LYS 237.A O no hydrogen 3.202 N/A ASP 242.A N GLU 238.A O no hydrogen 3.201 N/A LEU 243.A N LEU 239.A O no hydrogen 3.130 N/A GLY 244.A N ASN 241.A O no hydrogen 2.436 N/A VAL 245.A N GLN 240.A O no hydrogen 2.922 N/A