Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gry_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG PRO 160.A O no hydrogen 3.454 N/A PHE 3.A N TYR 159.A O no hydrogen 2.936 N/A ILE 5.A N ALA 157.A O no hydrogen 3.052 N/A ASP 6.A N ALA 157.A O no hydrogen 3.286 N/A ASN 8.A N ASP 6.A OD1 no hydrogen 2.993 N/A PHE 9.A N ASP 6.A O no hydrogen 3.145 N/A VAL 10.A N ASP 6.A O no hydrogen 3.487 N/A ASN 11.A N LYS 7.A O no hydrogen 2.847 N/A LYS 12.A N ASN 8.A O no hydrogen 3.065 N/A ALA 13.A N PHE 9.A O no hydrogen 3.055 N/A VAL 14.A N VAL 10.A O no hydrogen 3.009 N/A GLU 15.A N ASN 11.A O no hydrogen 2.969 N/A SER 16.A N LYS 12.A O no hydrogen 2.812 N/A ALA 17.A N ALA 13.A O no hydrogen 3.096 N/A ALA 17.A N VAL 14.A O no hydrogen 3.236 N/A ASN 18.A N GLU 15.A O no hydrogen 3.037 N/A THR 20.A N ASP 23.A OD2 no hydrogen 2.917 N/A THR 20.A OG1 ASP 23.A OD2 no hydrogen 3.452 N/A LYS 21.A NZ ALA 40.A O no hydrogen 3.304 N/A LYS 21.A NZ LYS 41.A O no hydrogen 2.854 N/A LYS 21.A NZ ALA 43.A O no hydrogen 2.935 N/A ASP 23.A N THR 20.A O no hydrogen 2.940 N/A VAL 24.A N ASN 87.A OD1 no hydrogen 3.006 N/A VAL 25.A N LYS 45.A O no hydrogen 2.942 N/A LEU 26.A N LYS 88.A O no hydrogen 2.777 N/A GLU 27.A N TYR 47.A O no hydrogen 2.625 N/A GLY 29.A N ILE 49.A O no hydrogen 2.784 N/A LEU 30.A N GLU 50.A OE1 no hydrogen 2.809 N/A LYS 32.A NZ TYR 58.A OH no hydrogen 3.517 N/A GLY 33.A N LEU 30.A O no hydrogen 3.051 N/A THR 36.A OG1 GLU 27.A OE1 no hydrogen 2.668 N/A THR 36.A OG1 GLU 27.A OE2 no hydrogen 3.556 N/A GLU 37.A N GLY 33.A O no hydrogen 3.073 N/A LEU 39.A N LEU 35.A O no hydrogen 3.119 N/A ALA 40.A N THR 36.A O no hydrogen 2.983 N/A LYS 41.A N GLU 37.A O no hydrogen 3.044 N/A LYS 41.A NZ GLU 38.A OE2 no hydrogen 2.820 N/A ASN 42.A N GLU 38.A O no hydrogen 3.338 N/A ASN 42.A N LEU 39.A O no hydrogen 3.265 N/A ASN 42.A ND2 GLU 38.A O no hydrogen 2.943 N/A ALA 43.A N LEU 39.A O no hydrogen 2.883 N/A LYS 44.A N ASP 23.A O no hydrogen 2.774 N/A LYS 45.A NZ GLU 70.A OE1 no hydrogen 3.024 N/A VAL 46.A N ASN 68.A O no hydrogen 3.009 N/A TYR 47.A N VAL 25.A O no hydrogen 2.901 N/A VAL 48.A N GLU 70.A O no hydrogen 3.007 N/A ILE 49.A N GLU 27.A O no hydrogen 2.931 N/A GLU 50.A N ILE 72.A O no hydrogen 3.083 N/A ASP 52.A N GLU 50.A OE2 no hydrogen 2.846 N/A SER 54.A N ASP 52.A OD1 no hydrogen 2.862 N/A SER 54.A OG ASP 52.A OD1 no hydrogen 3.006 N/A LEU 55.A N ASP 52.A O no hydrogen 3.486 N/A GLU 56.A N LYS 53.A O no hydrogen 3.171 N/A TYR 58.A N LEU 55.A O no hydrogen 3.239 N/A ASN 60.A N GLU 56.A O no hydrogen 2.787 N/A LYS 61.A N PRO 57.A O no hydrogen 2.959 N/A LEU 62.A N TYR 58.A O no hydrogen 3.010 N/A LYS 63.A N ALA 59.A O no hydrogen 2.863 N/A GLU 64.A N LYS 61.A O no hydrogen 3.341 N/A LEU 65.A N LEU 62.A O no hydrogen 2.989 N/A TYR 66.A N LEU 62.A O no hydrogen 2.902 N/A TYR 66.A OH GLU 37.A OE2 no hydrogen 2.655 N/A ASN 68.A ND2 ALA 40.A O no hydrogen 3.006 N/A ASN 68.A ND2 LYS 44.A O no hydrogen 3.217 N/A GLU 70.A N VAL 46.A O no hydrogen 3.099 N/A ILE 72.A N VAL 48.A O no hydrogen 2.658 N/A GLY 74.A N GLU 50.A O no hydrogen 2.794 N/A LEU 77.A N ASP 75.A OD1 no hydrogen 3.067 N/A LYS 78.A N ASP 75.A O no hydrogen 2.781 N/A VAL 79.A N ASP 75.A O no hydrogen 3.132 N/A ASN 82.A N ASP 80.A OD1 no hydrogen 3.084 N/A LYS 83.A N ASP 80.A O no hydrogen 3.364 N/A LYS 83.A NZ ASP 80.A OD2 no hydrogen 2.979 N/A LEU 84.A N LEU 81.A O no hydrogen 3.296 N/A ASN 87.A N VAL 24.A O no hydrogen 3.036 N/A ASN 87.A ND2 ASP 23.A OD1 no hydrogen 2.783 N/A ASN 87.A ND2 ASP 111.A OD2 no hydrogen 3.199 N/A LYS 88.A N VAL 24.A O no hydrogen 3.241 N/A LYS 88.A NZ ALA 17.A O no hydrogen 2.981 N/A LYS 88.A NZ ASP 23.A OD2 no hydrogen 3.045 N/A VAL 89.A N LEU 112.A O no hydrogen 3.264 N/A VAL 90.A N LEU 26.A O no hydrogen 3.245 N/A ALA 91.A N VAL 114.A O no hydrogen 3.199 N/A ASN 92.A ND2 CYS 2.A O no hydrogen 3.426 N/A ILE 97.A N PRO 94.A O no hydrogen 2.990 N/A SER 98.A OG TYR 95.A O no hydrogen 3.235 N/A ILE 101.A N ILE 97.A O no hydrogen 3.028 N/A THR 102.A N SER 98.A O no hydrogen 3.315 N/A THR 102.A OG1 SER 98.A O no hydrogen 2.607 N/A THR 102.A OG1 TYR 117.A OH no hydrogen 2.946 N/A PHE 103.A N SER 99.A O no hydrogen 3.323 N/A LYS 104.A N PRO 100.A O no hydrogen 2.995 N/A LYS 104.A NZ ALA 76.A O no hydrogen 3.079 N/A LYS 104.A NZ LEU 77.A O no hydrogen 2.754 N/A LYS 104.A NZ VAL 79.A O no hydrogen 2.694 N/A LEU 105.A N ILE 101.A O no hydrogen 3.060 N/A ILE 106.A N THR 102.A O no hydrogen 2.923 N/A LYS 107.A N PHE 103.A O no hydrogen 2.931 N/A ARG 108.A N LYS 104.A O no hydrogen 2.929 N/A ARG 108.A NE LEU 81.A O no hydrogen 2.888 N/A ARG 108.A NH1 ARG 108.A O no hydrogen 2.977 N/A ARG 108.A NH2 LEU 84.A O no hydrogen 3.152 N/A GLY 109.A N LEU 105.A O no hydrogen 2.718 N/A ASP 111.A N ASN 87.A O no hydrogen 2.757 N/A ALA 113.A N ILE 171.A O no hydrogen 2.837 N/A VAL 114.A N VAL 89.A O no hydrogen 2.840 N/A LEU 115.A N VAL 169.A O no hydrogen 2.989 N/A MET 116.A N ALA 91.A O no hydrogen 2.945 N/A TYR 117.A N ALA 167.A O no hydrogen 2.999 N/A TYR 117.A OH THR 102.A OG1 no hydrogen 2.946 N/A TYR 119.A N TYR 165.A O no hydrogen 3.158 N/A ALA 122.A N GLN 118.A O no hydrogen 3.114 N/A LYS 123.A N TYR 119.A O no hydrogen 3.027 N/A LYS 123.A NZ GLU 120.A OE2 no hydrogen 2.737 N/A ARG 124.A N GLU 120.A O no hydrogen 3.252 N/A MET 125.A N PHE 121.A O no hydrogen 3.096 N/A VAL 126.A N ALA 122.A O no hydrogen 3.133 N/A GLY 130.A N PHE 242.A O no hydrogen 2.784 N/A THR 131.A OG1 ALA 128.A O no hydrogen 2.793 N/A TYR 134.A N THR 131.A O no hydrogen 3.143 N/A TYR 134.A OH LEU 244.A O no hydrogen 2.941 N/A GLY 135.A N SER 138.A OG no hydrogen 3.187 N/A SER 138.A OG ARG 124.A O no hydrogen 2.380 N/A VAL 139.A N GLY 135.A O no hydrogen 3.187 N/A ALA 140.A N ARG 136.A O no hydrogen 2.773 N/A VAL 141.A N LEU 137.A O no hydrogen 3.033 N/A GLN 142.A N SER 138.A O no hydrogen 2.907 N/A GLN 142.A NE2 MET 125.A O no hydrogen 2.978 N/A GLN 142.A NE2 ALA 127.A O no hydrogen 3.242 N/A SER 143.A N VAL 139.A O no hydrogen 2.987 N/A SER 143.A OG VAL 139.A O no hydrogen 3.004 N/A SER 143.A OG ALA 140.A O no hydrogen 3.380 N/A ARG 144.A N VAL 141.A O no hydrogen 3.108 N/A ARG 144.A NE GLU 183.A OE1 no hydrogen 3.477 N/A ARG 144.A NH1 ALA 140.A O no hydrogen 2.807 N/A ARG 144.A NH2 GLU 183.A OE1 no hydrogen 3.116 N/A ARG 144.A NH2 ASP 187.A OD1 no hydrogen 2.921 N/A ASP 146.A N LYS 172.A O no hydrogen 2.918 N/A GLU 148.A N LYS 170.A O no hydrogen 3.199 N/A VAL 150.A N ILE 168.A O no hydrogen 2.656 N/A VAL 153.A N SER 166.A O no hydrogen 2.749 N/A ALA 157.A N PRO 154.A O no hydrogen 3.146 N/A PHE 158.A N PRO 155.A O no hydrogen 3.252 N/A TYR 159.A N PHE 3.A O no hydrogen 2.784 N/A SER 166.A N VAL 153.A O no hydrogen 2.942 N/A ALA 167.A N TYR 117.A O no hydrogen 2.782 N/A ILE 168.A N ALA 151.A O no hydrogen 3.056 N/A VAL 169.A N LEU 115.A O no hydrogen 2.993 N/A LYS 170.A N GLU 148.A O no hydrogen 2.915 N/A ILE 171.A N ALA 113.A O no hydrogen 2.726 N/A LYS 172.A N ASP 146.A O no hydrogen 2.869 N/A ASN 174.A N ARG 144.A O no hydrogen 2.966 N/A ASN 174.A ND2 ASP 146.A OD2 no hydrogen 3.198 N/A LYS 177.A N ASN 174.A O no hydrogen 3.423 N/A GLU 181.A N ASN 254.A OD1 no hydrogen 2.805 N/A PHE 185.A N ASN 182.A OD1 no hydrogen 3.104 N/A PHE 186.A N ASN 182.A O no hydrogen 2.943 N/A ASP 187.A N GLU 183.A O no hydrogen 2.969 N/A ASP 188.A N ASN 184.A O no hydrogen 3.188 N/A PHE 189.A N PHE 185.A O no hydrogen 2.856 N/A LEU 190.A N PHE 186.A O no hydrogen 3.111 N/A ARG 191.A N ASP 187.A O no hydrogen 3.131 N/A ARG 191.A NH1 GLU 211.A OE1 no hydrogen 2.799 N/A ARG 191.A NH2 ASP 188.A OD1 no hydrogen 2.729 N/A ALA 192.A N ASP 188.A O no hydrogen 2.959 N/A ILE 193.A N PHE 189.A O no hydrogen 3.020 N/A PHE 194.A N LEU 190.A O no hydrogen 2.969 N/A HIS 196.A N ILE 193.A O no hydrogen 3.118 N/A ARG 197.A NH1 THR 131.A O no hydrogen 3.148 N/A ARG 197.A NH1 TYR 134.A O no hydrogen 2.721 N/A LYS 199.A N HIS 196.A O no hydrogen 3.243 N/A VAL 201.A N GLU 239.A O no hydrogen 3.080 N/A ARG 202.A N ILE 237.A O no hydrogen 2.938 N/A LYS 203.A N SER 200.A OG no hydrogen 3.162 N/A ALA 204.A N SER 200.A O no hydrogen 2.813 N/A LEU 205.A N VAL 201.A O no hydrogen 2.862 N/A ILE 206.A N ARG 202.A O no hydrogen 3.187 N/A ASP 207.A N LYS 203.A O no hydrogen 3.151 N/A SER 208.A N ALA 204.A O no hydrogen 3.299 N/A SER 208.A OG ALA 192.A O no hydrogen 2.719 N/A SER 208.A OG ALA 204.A O no hydrogen 3.297 N/A SER 209.A N ILE 206.A O no hydrogen 3.289 N/A SER 209.A OG ILE 206.A O no hydrogen 3.466 N/A SER 209.A OG TYR 214.A O no hydrogen 2.632 N/A GLU 211.A N SER 208.A O no hydrogen 3.188 N/A LEU 212.A N SER 209.A O no hydrogen 2.977 N/A ASN 213.A N LYS 210.A O no hydrogen 3.034 N/A TYR 214.A N SER 209.A O no hydrogen 3.152 N/A ASN 215.A N GLU 218.A OE1 no hydrogen 3.133 N/A ASP 217.A N ASN 215.A OD1 no hydrogen 2.919 N/A GLU 218.A N ASN 215.A OD1 no hydrogen 2.970 N/A MET 219.A N ASN 215.A O no hydrogen 3.220 N/A LYS 220.A N LYS 216.A O no hydrogen 3.262 N/A LYS 220.A NZ GLU 224.A OE2 no hydrogen 3.557 N/A LYS 221.A N ASP 217.A O no hydrogen 3.090 N/A LYS 221.A NZ ASP 225.A OD1 no hydrogen 2.784 N/A ILE 222.A N GLU 218.A O no hydrogen 2.659 N/A LEU 223.A N MET 219.A O no hydrogen 2.750 N/A GLU 224.A N LYS 220.A O no hydrogen 3.272 N/A ASP 225.A N LYS 221.A O no hydrogen 3.256 N/A PHE 226.A N ILE 222.A O no hydrogen 3.012 N/A LEU 227.A N LEU 223.A O no hydrogen 2.971 N/A ASN 228.A N ASP 225.A O no hydrogen 3.082 N/A THR 229.A N PHE 226.A O no hydrogen 3.259 N/A THR 229.A OG1 PHE 226.A O no hydrogen 2.747 N/A LYS 234.A N ASN 230.A O no hydrogen 3.435 N/A ASN 235.A N SER 231.A O no hydrogen 3.012 N/A LEU 236.A N GLU 232.A O no hydrogen 3.189 N/A ILE 237.A N ILE 233.A O no hydrogen 3.277 N/A GLU 239.A N LEU 236.A O no hydrogen 3.390 N/A LYS 240.A N GLU 239.A OE1 no hydrogen 2.970 N/A LYS 240.A NZ ASN 198.A O no hydrogen 3.005 N/A VAL 241.A N LYS 199.A O no hydrogen 3.063 N/A PHE 242.A N ARG 197.A O no hydrogen 3.137 N/A LYS 243.A N LYS 240.A O no hydrogen 2.865 N/A LEU 244.A N VAL 241.A O no hydrogen 3.222 N/A LYS 247.A NZ ASP 248.A OD1 no hydrogen 3.459 N/A ASP 248.A N SER 245.A OG no hydrogen 3.239 N/A ILE 249.A N SER 245.A O no hydrogen 2.994 N/A VAL 250.A N VAL 246.A O no hydrogen 2.946 N/A ASN 251.A N LYS 247.A O no hydrogen 3.019 N/A LEU 252.A N ASP 248.A O no hydrogen 2.769 N/A SER 253.A N ILE 249.A O no hydrogen 2.993 N/A SER 253.A OG ILE 249.A O no hydrogen 3.076 N/A SER 253.A OG VAL 250.A O no hydrogen 3.027 N/A ASN 254.A N VAL 250.A O no hydrogen 2.997 N/A ASN 254.A ND2 HIS 179.A O no hydrogen 2.856 N/A GLU 255.A N ASN 251.A O no hydrogen 3.340 N/A PHE 256.A N LEU 252.A O no hydrogen 2.987 N/A TYR 257.A N SER 253.A O no hydrogen 3.047 N/A ARG 258.A N ASN 254.A O no hydrogen 3.247 N/A PHE 259.A N GLU 255.A O no hydrogen 2.924 N/A LEU 260.A N PHE 256.A O no hydrogen 3.034 N/A GLN 261.A N TYR 257.A O no hydrogen 2.954 N/A GLN 261.A NE2 TYR 257.A OH no hydrogen 3.557 N/A ASN 262.A N ARG 258.A O no hydrogen 3.243 N/A ARG 263.A N LEU 260.A O no hydrogen 3.129 N/A ARG 263.A NH1 ASP 225.A OD2 no hydrogen 2.751 N/A ARG 263.A NH2 ASP 225.A OD2 no hydrogen 3.133 N/A