Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mcv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD1 no hydrogen 2.816 N/A ALA 5.A N ARG 28.A O no hydrogen 2.824 N/A VAL 6.A N VAL 88.A O no hydrogen 2.847 N/A VAL 7.A N VAL 30.A O no hydrogen 3.081 N/A THR 8.A N VAL 90.A O no hydrogen 3.030 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.431 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.903 N/A ALA 10.A N HIS 32.A O no hydrogen 2.879 N/A LYS 12.A NZ.B SER 36.A OG no hydrogen 3.368 N/A ARG 13.A NH1 LEU 191.A O no hydrogen 2.883 N/A ARG 13.A NH1 LEU 192.A O no hydrogen 3.553 N/A ARG 13.A NH2 LEU 192.A O no hydrogen 2.909 N/A ARG 16.A N LYS 12.A O no hydrogen 3.022 N/A ARG 16.A NH2 GLU 46.A OE1 no hydrogen 3.002 N/A ALA 17.A N ARG 13.A O no hydrogen 3.096 N/A ILE 18.A N ILE 14.A O no hydrogen 2.887 N/A ALA 19.A N GLY 15.A O no hydrogen 2.983 N/A VAL 20.A N ARG 16.A O no hydrogen 2.807 N/A LYS 21.A N ALA 17.A O no hydrogen 2.999 N/A LYS 21.A NZ GLU 218.A OE1 no hydrogen 2.957 N/A LYS 21.A NZ ASP 222.A OD1 no hydrogen 3.318 N/A LEU 22.A N ILE 18.A O no hydrogen 2.910 N/A HIS 23.A N ALA 19.A O no hydrogen 2.893 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.768 N/A GLN 24.A N VAL 20.A O no hydrogen 2.790 N/A THR 25.A N LYS 21.A O no hydrogen 2.945 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.786 N/A GLY 26.A N HIS 23.A O no hydrogen 2.933 N/A TYR 27.A N LEU 22.A O no hydrogen 2.972 N/A ARG 28.A N PRO 3.A O no hydrogen 2.936 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.311 N/A ARG 28.A NH2 GLU 1.A OE1 no hydrogen 3.075 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.796 N/A VAL 29.A N THR 54.A O no hydrogen 2.882 N/A VAL 30.A N ALA 5.A O no hydrogen 2.844 N/A ILE 31.A N VAL 56.A O no hydrogen 2.796 N/A HIS 32.A N VAL 7.A O no hydrogen 3.084 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.839 N/A TYR 33.A N CYS 58.A O no hydrogen 2.980 N/A ALA 37.A N ASN 35.A O no hydrogen 3.027 N/A ALA 40.A N SER 36.A O no hydrogen 2.949 N/A VAL 41.A N ALA 37.A O no hydrogen 2.935 N/A SER 42.A N GLU 38.A O no hydrogen 2.926 N/A LEU 43.A N ALA 39.A O no hydrogen 3.012 N/A ALA 44.A N ALA 40.A O no hydrogen 2.982 N/A ASP 45.A N VAL 41.A O no hydrogen 2.888 N/A GLU 46.A N SER 42.A O no hydrogen 3.064 N/A LEU 47.A N LEU 43.A O no hydrogen 2.947 N/A ASN 48.A N ALA 44.A O no hydrogen 2.843 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.876 N/A LYS 49.A N ASP 45.A O no hydrogen 2.922 N/A GLU 50.A N GLU 46.A O no hydrogen 3.255 N/A ARG 51.A N LEU 47.A O no hydrogen 2.995 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 2.998 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.102 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.829 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.768 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.589 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.894 N/A VAL 56.A N VAL 29.A O no hydrogen 3.060 N/A CYS 58.A N ILE 31.A O no hydrogen 2.979 N/A CYS 58.A SG SER 78.A OG no hydrogen 3.669 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 3.110 N/A ALA 60.A N TYR 33.A O no hydrogen 2.911 N/A THR 63.A N ASP 61.A OD1 no hydrogen 2.994 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.622 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.551 N/A ASN 64.A N ALA 112.A O no hydrogen 2.856 N/A VAL 67.A N SER 65.A OG no hydrogen 3.142 N/A LEU 68.A N SER 65.A O no hydrogen 3.318 N/A LEU 68.A N SER 65.A OG no hydrogen 3.201 N/A SER 71.A N VAL 67.A O no hydrogen 3.000 N/A SER 71.A OG VAL 67.A O no hydrogen 3.495 N/A CYS 72.A N LEU 68.A O no hydrogen 2.887 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.434 N/A CYS 72.A SG ALA 121.A O no hydrogen 3.912 N/A GLU 73.A N PRO 69.A O no hydrogen 2.878 N/A GLU 74.A N ALA 70.A O no hydrogen 2.914 N/A ILE 75.A N SER 71.A O no hydrogen 3.006 N/A ILE 76.A N CYS 72.A O no hydrogen 3.267 N/A ASN 77.A N GLU 73.A O no hydrogen 2.890 N/A SER 78.A N GLU 74.A O no hydrogen 2.811 N/A SER 78.A OG GLU 74.A O no hydrogen 2.895 N/A SER 78.A OG GLU 74.A OE2 no hydrogen 3.078 N/A CYS 79.A N ILE 75.A O no hydrogen 3.432 N/A CYS 79.A N ILE 76.A O no hydrogen 3.044 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.331 N/A PHE 80.A N ILE 76.A O no hydrogen 3.252 N/A ARG 81.A N ASN 77.A O no hydrogen 2.812 N/A ARG 81.A NH1 GLU 74.A OE1 no hydrogen 3.204 N/A ARG 81.A NH1 GLU 74.A OE2 no hydrogen 2.771 N/A ARG 81.A NH2 GLU 74.A OE2 no hydrogen 3.181 N/A ARG 81.A NH2 SER 78.A OG no hydrogen 3.068 N/A ALA 82.A N SER 78.A O no hydrogen 3.044 N/A PHE 83.A N CYS 79.A O no hydrogen 2.854 N/A GLY 84.A N PHE 80.A O no hydrogen 2.837 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.816 N/A ARG 85.A NH1 GLU 1.A OE2 no hydrogen 3.116 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 2.964 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.961 N/A ASP 87.A N ALA 4.A O no hydrogen 2.786 N/A VAL 88.A N ALA 4.A O no hydrogen 3.161 N/A LEU 89.A N SER 138.A O no hydrogen 3.108 N/A VAL 90.A N VAL 6.A O no hydrogen 2.770 N/A ASN 91.A N VAL 140.A O no hydrogen 2.856 N/A ASN 91.A ND2 ASN 141.A OD1 no hydrogen 2.796 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.894 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.064 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.880 N/A SER 94.A OG ALA 95.A O no hydrogen 3.340 N/A SER 94.A OG ASN 118.A OD1 no hydrogen 2.663 N/A ALA 95.A N THR 117.A OG1 no hydrogen 2.985 N/A TYR 97.A OH GLU 113.A OE1 no hydrogen 2.692 N/A THR 99.A N ALA 153.A O no hydrogen 2.724 N/A GLN 103.A NE2 PRO 100.A O no hydrogen 2.631 N/A LYS 105.A NZ GLU 113.A OE1 no hydrogen 2.596 N/A LYS 105.A NZ GLU 113.A OE2 no hydrogen 3.503 N/A THR 106.A OG1 THR 109.A OG1 no hydrogen 3.065 N/A THR 109.A N THR 106.A OG1 no hydrogen 3.027 N/A THR 109.A OG1 THR 106.A OG1 no hydrogen 3.065 N/A GLN 110.A N THR 106.A O no hydrogen 3.065 N/A VAL 111.A N VAL 107.A O no hydrogen 2.868 N/A ALA 112.A N GLU 108.A O no hydrogen 2.917 N/A GLU 113.A N THR 109.A O no hydrogen 2.851 N/A LEU 114.A N GLN 110.A O no hydrogen 2.879 N/A ILE 115.A N VAL 111.A O no hydrogen 2.942 N/A GLY 116.A N ALA 112.A O no hydrogen 2.936 N/A THR 117.A N GLU 113.A O no hydrogen 2.976 N/A THR 117.A OG1 GLU 113.A O no hydrogen 2.683 N/A ASN 118.A N LEU 114.A O no hydrogen 3.302 N/A ASN 118.A ND2 ALA 95.A O no hydrogen 3.053 N/A ASN 118.A ND2 LEU 114.A O no hydrogen 2.921 N/A ALA 119.A N ILE 115.A O no hydrogen 3.019 N/A ILE 120.A N ILE 115.A O no hydrogen 3.000 N/A ALA 121.A N GLY 116.A O no hydrogen 2.777 N/A PHE 123.A N ALA 119.A O no hydrogen 3.024 N/A LEU 124.A N ILE 120.A O no hydrogen 2.930 N/A LEU 125.A N ALA 121.A O no hydrogen 2.803 N/A THR 126.A N PRO 122.A O no hydrogen 2.901 N/A THR 126.A OG1 PRO 122.A O no hydrogen 2.757 N/A MET 127.A N PHE 123.A O no hydrogen 2.909 N/A SER 128.A N LEU 124.A O no hydrogen 2.907 N/A SER 128.A OG LEU 124.A O no hydrogen 3.346 N/A PHE 129.A N LEU 125.A O no hydrogen 2.836 N/A ALA 130.A N THR 126.A O no hydrogen 2.952 N/A GLN 131.A N MET 127.A O no hydrogen 2.889 N/A ARG 132.A N SER 128.A O no hydrogen 3.195 N/A ARG 132.A NH2 ASN 77.A OD1 no hydrogen 2.494 N/A GLN 133.A N ALA 130.A O no hydrogen 3.248 N/A GLN 133.A NE2 CYS 86.A O no hydrogen 2.868 N/A GLN 133.A NE2 PHE 129.A O no hydrogen 3.067 N/A SER 138.A N ASP 87.A O no hydrogen 2.992 N/A ILE 139.A N ARG 181.A O no hydrogen 2.892 N/A VAL 140.A N LEU 89.A O no hydrogen 2.896 N/A ASN 141.A N ASN 183.A O no hydrogen 2.877 N/A ASN 141.A ND2 THR 168.A OG1 no hydrogen 2.947 N/A LEU 142.A N ASN 91.A O no hydrogen 2.892 N/A CYS 143.A N VAL 185.A O no hydrogen 2.784 N/A CYS 143.A SG ASN 141.A O no hydrogen 3.665 N/A ALA 145.A N PRO 187.A O no hydrogen 2.783 N/A MET 146.A N ASP 144.A OD1 no hydrogen 2.873 N/A VAL 147.A N ASP 144.A O no hydrogen 3.393 N/A GLN 149.A N MET 146.A O no hydrogen 2.901 N/A PHE 154.A N CYS 151.A O no hydrogen 3.378 N/A LEU 156.A N THR 99.A OG1 no hydrogen 3.299 N/A TYR 157.A OH ASP 144.A OD2 no hydrogen 2.620 N/A ASN 158.A N PHE 154.A O no hydrogen 2.916 N/A ASN 158.A ND2.A VAL 147.A O no hydrogen 3.114 N/A ASN 158.A ND2.B PHE 154.A O no hydrogen 3.027 N/A MET 159.A N SER 155.A O no hydrogen 2.762 N/A GLY 160.A N LEU 156.A O no hydrogen 2.980 N/A LYS 161.A N TYR 157.A O no hydrogen 2.982 N/A LYS 161.A NZ ASN 118.A OD1 no hydrogen 2.946 N/A LYS 161.A NZ LEU 142.A O no hydrogen 2.841 N/A HIS 162.A N ASN 158.A O no hydrogen 2.904 N/A HIS 162.A NE2 VAL 147.A O no hydrogen 3.036 N/A ALA 163.A N MET 159.A O no hydrogen 2.915 N/A LEU 164.A N GLY 160.A O no hydrogen 2.952 N/A VAL 165.A N LYS 161.A O no hydrogen 3.123 N/A GLY 166.A N HIS 162.A O no hydrogen 3.029 N/A LEU 167.A N ALA 163.A O no hydrogen 2.847 N/A THR 168.A N LEU 164.A O no hydrogen 2.911 N/A THR 168.A OG1 LEU 164.A O no hydrogen 2.765 N/A GLN 169.A N VAL 165.A O no hydrogen 3.066 N/A SER 170.A N GLY 166.A O no hydrogen 2.891 N/A SER 170.A OG GLY 166.A O no hydrogen 3.229 N/A ALA 171.A N LEU 167.A O no hydrogen 2.756 N/A ALA 172.A N THR 168.A O no hydrogen 2.971 N/A LEU 173.A N GLN 169.A O no hydrogen 3.073 N/A GLU 174.A N SER 170.A O no hydrogen 3.027 N/A LEU 175.A N ALA 171.A O no hydrogen 2.857 N/A ALA 176.A N ALA 172.A O no hydrogen 3.174 N/A TYR 178.A N LEU 175.A O no hydrogen 2.895 N/A GLY 179.A N ALA 176.A O no hydrogen 2.912 N/A ILE 180.A N LEU 175.A O no hydrogen 3.313 N/A ARG 181.A N LEU 137.A O no hydrogen 3.204 N/A ARG 181.A NH1 ASN 136.A OD1 no hydrogen 2.969 N/A ARG 181.A NH1 LEU 227.A O no hydrogen 2.958 N/A ARG 181.A NH2 LEU 227.A O no hydrogen 2.951 N/A ARG 181.A NH2 ILE 235.A O no hydrogen 3.084 N/A VAL 182.A N THR 236.A OG1 no hydrogen 2.936 N/A ASN 183.A N ILE 139.A O no hydrogen 2.980 N/A ASN 183.A ND2 ILE 235.A O no hydrogen 2.986 N/A GLY 184.A N SER 238.A O no hydrogen 2.830 N/A VAL 185.A N ASN 141.A O no hydrogen 2.970 N/A ALA 186.A N ILE 240.A O no hydrogen 2.836 N/A SER 190.A OG ALA 215.A O no hydrogen 2.803 N/A MET 196.A N PRO 193.A O no hydrogen 3.019 N/A LYS 201.A N GLY 197.A O no hydrogen 2.946 N/A ASP 202.A N GLU 198.A O no hydrogen 2.811 N/A LYS 203.A N GLU 199.A O no hydrogen 3.016 N/A TRP 204.A N GLU 200.A O no hydrogen 3.304 N/A ARG 205.A N LYS 201.A O no hydrogen 2.918 N/A ARG 205.A NE GLU 214.A OE2 no hydrogen 2.790 N/A ARG 205.A NH1 GLU 198.A OE2 no hydrogen 2.949 N/A ARG 205.A NH1 ASP 202.A OD1 no hydrogen 2.945 N/A ARG 205.A NH2 GLU 214.A OE1 no hydrogen 2.880 N/A ARG 206.A N ASP 202.A O no hydrogen 2.986 N/A LYS 207.A N TRP 204.A O no hydrogen 3.014 N/A VAL 208.A N ARG 205.A O no hydrogen 3.114 N/A LEU 210.A N GLY 244.A O no hydrogen 2.972 N/A GLY 211.A N PRO 209.A O no hydrogen 3.049 N/A ARG 212.A N VAL 208.A O no hydrogen 2.988 N/A ARG 212.A NH2 ARG 206.A O no hydrogen 2.812 N/A GLU 214.A N GLU 214.A OE2 no hydrogen 2.726 N/A ALA 215.A N VAL 189.A O no hydrogen 2.953 N/A SER 216.A N GLN 219.A OE1 no hydrogen 2.941 N/A GLN 219.A N SER 216.A OG no hydrogen 3.190 N/A ILE 220.A N SER 216.A O no hydrogen 3.292 N/A ALA 221.A N ALA 217.A O no hydrogen 2.942 N/A ASP 222.A N GLU 218.A O no hydrogen 2.764 N/A ALA 223.A N ILE 220.A O no hydrogen 3.084 N/A VAL 224.A N ILE 220.A O no hydrogen 3.242 N/A ILE 225.A N ALA 221.A O no hydrogen 2.830 N/A PHE 226.A N ASP 222.A O no hydrogen 3.080 N/A LEU 227.A N ALA 223.A O no hydrogen 3.078 N/A VAL 228.A N VAL 224.A O no hydrogen 3.002 N/A SER 229.A N PHE 226.A O no hydrogen 3.067 N/A SER 229.A OG PHE 226.A O no hydrogen 2.640 N/A SER 231.A N SER 229.A OG no hydrogen 3.148 N/A ALA 232.A N SER 229.A O no hydrogen 3.103 N/A ILE 235.A N ALA 232.A O no hydrogen 2.923 N/A THR 236.A OG1 VAL 182.A O no hydrogen 3.568 N/A GLY 237.A N VAL 182.A O no hydrogen 2.686 N/A SER 238.A N ASN 183.A OD1 no hydrogen 2.976 N/A ILE 240.A N GLY 184.A O no hydrogen 2.845 N/A LYS 241.A NZ SER 247.A OG no hydrogen 3.309 N/A VAL 242.A N ALA 186.A O no hydrogen 2.888 N/A GLY 245.A N ASP 243.A OD1 no hydrogen 2.975 N/A LEU 246.A N ASP 243.A O no hydrogen 2.960 N/A SER 247.A N ASP 243.A OD2 no hydrogen 2.907 N/A SER 247.A OG ASP 243.A OD2 no hydrogen 2.670 N/A LEU 248.A N GLY 245.A O no hydrogen 2.974 N/A VAL 249.A N LEU 246.A O no hydrogen 3.147 N/A HIS 250.A ND1 ALA 251.A OXT no hydrogen 2.768 N/A