Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cr0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG THR 4.A OG1 no hydrogen 3.355 N/A ARG 2.A NE GLU 6.A OE1.A no hydrogen 2.753 N/A ARG 2.A NH2 SER 70.A OG no hydrogen 2.717 N/A TYR 3.A OH GLU 9.A OE2 no hydrogen 2.212 N/A THR 4.A N SER 1.A O no hydrogen 3.271 N/A THR 4.A N SER 1.A OG no hydrogen 3.247 N/A THR 4.A OG1 SER 1.A OG no hydrogen 3.355 N/A THR 5.A N SER 1.A O no hydrogen 3.122 N/A THR 5.A OG1 SER 1.A O no hydrogen 3.312 N/A THR 5.A OG1 ARG 2.A O no hydrogen 3.467 N/A GLU 6.A N ARG 2.A O no hydrogen 2.870 N/A PHE 7.A N TYR 3.A O no hydrogen 3.304 N/A HIS 8.A N VAL 23.A O no hydrogen 2.759 N/A LEU 10.A N LYS 21.A O no hydrogen 2.687 N/A GLU 11.A N LYS 21.A O no hydrogen 3.334 N/A ILE 13.A N VAL 19.A O no hydrogen 2.874 N/A SER 18.A N ARG 35.A O no hydrogen 3.193 N/A VAL 19.A N GLY 14.A O no hydrogen 2.976 N/A PHE 20.A N ILE 33.A O no hydrogen 2.918 N/A LYS 21.A N GLU 11.A O no hydrogen 2.847 N/A LYS 21.A NZ TYR 82.A OH no hydrogen 3.348 N/A CYS 22.A N TYR 31.A O no hydrogen 3.127 N/A CYS 22.A SG TYR 3.A OH no hydrogen 3.634 N/A CYS 22.A SG PHE 20.A O no hydrogen 3.702 N/A VAL 23.A N HIS 8.A O no hydrogen 2.869 N/A LYS 24.A N CYS 29.A O no hydrogen 2.864 N/A LYS 24.A NZ GLU 6.A OE2.A no hydrogen 2.393 N/A ARG 25.A N GLU 6.A O no hydrogen 2.883 N/A ARG 25.A NE THR 5.A O no hydrogen 3.189 N/A ARG 25.A NH2 THR 4.A O no hydrogen 2.875 N/A GLY 28.A N LYS 24.A O no hydrogen 3.164 N/A CYS 29.A N ASP 27.A OD1 no hydrogen 2.716 N/A CYS 29.A SG ILE 30.A O no hydrogen 3.984 N/A CYS 29.A SG TYR 31.A OH no hydrogen 3.791 N/A TYR 31.A N CYS 22.A O no hydrogen 2.836 N/A TYR 31.A OH ASP 27.A OD2 no hydrogen 2.636 N/A ALA 32.A N ASN 80.A O no hydrogen 2.793 N/A ILE 33.A N PHE 20.A O no hydrogen 2.889 N/A LYS 34.A N ILE 78.A O no hydrogen 2.721 N/A ARG 35.A N SER 18.A O no hydrogen 2.770 N/A SER 36.A N MET 76.A O no hydrogen 2.831 N/A LYS 38.A N ASP 74.A O no hydrogen 2.726 N/A GLY 42.A N GLU 46.A OE1 no hydrogen 2.325 N/A SER 43.A N LEU 40.A O no hydrogen 3.257 N/A SER 43.A OG LEU 40.A O no hydrogen 2.656 N/A GLU 46.A N SER 43.A OG no hydrogen 3.184 N/A GLN 47.A N SER 43.A O no hydrogen 3.053 N/A ASN 48.A N VAL 44.A O no hydrogen 3.150 N/A ALA 49.A N ASP 45.A O no hydrogen 2.847 N/A LEU 50.A N GLU 46.A O no hydrogen 2.746 N/A ARG 51.A N GLN 47.A O no hydrogen 3.061 N/A TYR 54.A N LEU 50.A O no hydrogen 2.893 N/A ALA 55.A N ARG 51.A O no hydrogen 2.748 N/A HIS 56.A N GLU 52.A O no hydrogen 2.877 N/A ALA 57.A N VAL 53.A O no hydrogen 3.112 N/A VAL 58.A N TYR 54.A O no hydrogen 3.378 N/A VAL 58.A N ALA 55.A O no hydrogen 3.229 N/A LEU 59.A N ALA 55.A O no hydrogen 3.007 N/A GLN 61.A N TYR 120.A OH no hydrogen 3.319 N/A HIS 64.A N HIS 62.A ND1 no hydrogen 2.969 N/A HIS 64.A ND1 PHE 143.A O no hydrogen 2.668 N/A VAL 65.A N HIS 62.A O no hydrogen 3.318 N/A VAL 66.A N ILE 145.A O no hydrogen 2.865 N/A ARG 67.A N GLU 81.A OE1 no hydrogen 2.884 N/A ARG 67.A NH1.A TYR 68.A O no hydrogen 2.849 N/A ARG 67.A NH2.B GLY 60.A O no hydrogen 3.095 N/A PHE 69.A N GLN 79.A O no hydrogen 2.906 N/A SER 70.A N GLN 79.A O no hydrogen 3.308 N/A TRP 72.A N LEU 77.A O no hydrogen 2.992 N/A MET 76.A N SER 36.A O no hydrogen 3.000 N/A LEU 77.A N TRP 72.A O no hydrogen 2.818 N/A ILE 78.A N LYS 34.A O no hydrogen 2.990 N/A GLN 79.A N SER 70.A O no hydrogen 2.828 N/A ASN 80.A N ALA 32.A O no hydrogen 2.743 N/A ASN 80.A ND2 HIS 56.A NE2 no hydrogen 3.130 N/A GLU 81.A N ARG 67.A O no hydrogen 2.777 N/A GLY 85.A N ILE 138.A O no hydrogen 2.592 N/A LEU 88.A N ILE 136.A O no hydrogen 2.938 N/A ALA 89.A N PRO 133.A O no hydrogen 3.170 N/A ASP 90.A N SER 87.A OG no hydrogen 3.422 N/A ALA 91.A N SER 87.A O no hydrogen 3.273 N/A ILE 92.A N LEU 88.A O no hydrogen 2.792 N/A SER 93.A N ALA 89.A O no hydrogen 2.899 N/A SER 93.A OG ALA 89.A O no hydrogen 2.965 N/A GLU 94.A N ASP 90.A O no hydrogen 2.969 N/A ASN 95.A N ALA 91.A O no hydrogen 3.036 N/A TYR 96.A N ILE 92.A O no hydrogen 3.027 N/A TYR 96.A OH GLU 198.A OE1 no hydrogen 3.010 N/A TYR 96.A OH GLU 198.A OE2 no hydrogen 2.409 N/A ARG 97.A N GLU 94.A O no hydrogen 3.271 N/A ILE 98.A N GLU 94.A O no hydrogen 3.264 N/A SER 100.A N ASN 95.A O no hydrogen 3.252 N/A PHE 102.A N ALA 194.A O no hydrogen 3.193 N/A LYS 103.A N GLU 106.A OE1 no hydrogen 3.466 N/A LEU 107.A N LYS 103.A O no hydrogen 2.839 N/A LYS 108.A N GLU 104.A O no hydrogen 3.025 N/A LYS 108.A NZ GLU 104.A OE2 no hydrogen 3.282 N/A LYS 108.A NZ VAL 252.A O no hydrogen 3.204 N/A ASP 109.A N ALA 105.A O no hydrogen 3.383 N/A LEU 110.A N GLU 106.A O no hydrogen 2.968 N/A LEU 111.A N LEU 107.A O no hydrogen 2.951 N/A LEU 112.A N LYS 108.A O no hydrogen 2.843 N/A GLN 113.A N ASP 109.A O no hydrogen 2.923 N/A GLN 113.A NE2 ASP 109.A OD1 no hydrogen 2.739 N/A GLN 113.A NE2 VAL 141.A O no hydrogen 3.322 N/A VAL 114.A N LEU 110.A O no hydrogen 3.086 N/A GLY 115.A N LEU 111.A O no hydrogen 2.916 N/A ARG 116.A N LEU 112.A O no hydrogen 2.866 N/A GLY 117.A N GLN 113.A O no hydrogen 3.125 N/A LEU 118.A N VAL 114.A O no hydrogen 2.792 N/A ARG 119.A N GLY 115.A O no hydrogen 2.951 N/A TYR 120.A N ARG 116.A O no hydrogen 3.053 N/A ILE 121.A N GLY 117.A O no hydrogen 3.009 N/A HIS 122.A N LEU 118.A O no hydrogen 2.774 N/A HIS 122.A NE2 ASP 183.A OD2 no hydrogen 2.733 N/A SER 123.A N ARG 119.A O no hydrogen 2.987 N/A SER 123.A N TYR 120.A O no hydrogen 3.165 N/A SER 123.A OG ARG 119.A O no hydrogen 3.423 N/A SER 123.A OG TYR 120.A O no hydrogen 2.977 N/A MET 124.A N TYR 120.A O no hydrogen 3.250 N/A MET 124.A N ILE 121.A O no hydrogen 3.135 N/A SER 125.A N HIS 122.A O no hydrogen 2.948 N/A LEU 126.A N ILE 121.A O no hydrogen 3.349 N/A VAL 127.A N THR 152.A O no hydrogen 2.589 N/A HIS 128.A N ASP 183.A OD2 no hydrogen 2.962 N/A HIS 128.A NE2 GLY 146.A O no hydrogen 3.122 N/A MET 129.A N ASP 183.A OD1 no hydrogen 2.957 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.076 N/A LYS 132.A NZ ASP 163.A OD2 no hydrogen 3.045 N/A ASN 135.A N LYS 132.A O no hydrogen 3.173 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.780 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 3.239 N/A ILE 136.A N PRO 133.A O no hydrogen 3.288 N/A PHE 137.A N LYS 144.A O no hydrogen 3.017 N/A ILE 138.A N GLY 86.A O no hydrogen 2.895 N/A SER 139.A N MET 142.A O no hydrogen 3.087 N/A MET 142.A N SER 139.A O no hydrogen 2.889 N/A PHE 143.A N GLN 113.A OE1 no hydrogen 2.664 N/A LYS 144.A N PHE 137.A O no hydrogen 2.939 N/A LYS 144.A NZ SER 63.A O no hydrogen 3.331 N/A LYS 144.A NZ GLU 81.A OE2 no hydrogen 3.168 N/A ILE 145.A N HIS 64.A O no hydrogen 2.730 N/A GLY 146.A N ASN 135.A O no hydrogen 2.946 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 3.133 N/A VAL 151.A N LEU 148.A O no hydrogen 3.236 N/A THR 152.A N VAL 127.A O no hydrogen 2.920 N/A THR 152.A OG1 SER 156.A OG no hydrogen 3.194 N/A ARG 153.A NE SER 125.A O no hydrogen 3.114 N/A ILE 154.A N SER 125.A O no hydrogen 2.904 N/A SER 156.A N ARG 153.A O no hydrogen 3.214 N/A SER 156.A OG THR 152.A OG1 no hydrogen 3.194 N/A ASP 163.A N ASP 130.A OD1 no hydrogen 2.933 N/A SER 164.A OG ARG 202.A O no hydrogen 3.298 N/A ARG 165.A N ASP 163.A OD1 no hydrogen 3.035 N/A ARG 165.A NE ASP 163.A OD1 no hydrogen 2.868 N/A ARG 165.A NH2 ASP 163.A OD2 no hydrogen 2.677 N/A PHE 166.A N ASP 163.A O no hydrogen 3.164 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.774 N/A VAL 171.A N ALA 168.A O no hydrogen 3.167 N/A LEU 172.A N ALA 168.A O no hydrogen 3.342 N/A GLN 173.A N ASN 169.A O no hydrogen 2.861 N/A GLU 174.A N VAL 171.A O no hydrogen 2.959 N/A ASN 175.A N GLU 170.A O no hydrogen 2.781 N/A THR 177.A N ASN 175.A OD1 no hydrogen 3.065 N/A THR 177.A OG1 ASN 175.A OD1 no hydrogen 2.735 N/A LYS 181.A N HIS 178.A O no hydrogen 3.078 N/A LYS 181.A NZ PRO 238.A O no hydrogen 3.176 N/A LYS 181.A NZ ARG 241.A O no hydrogen 2.971 N/A ALA 182.A N LEU 179.A O no hydrogen 3.103 N/A ILE 184.A N PRO 180.A O no hydrogen 3.424 N/A PHE 185.A N LYS 181.A O no hydrogen 3.029 N/A ALA 186.A N ALA 182.A O no hydrogen 3.183 N/A ALA 186.A N ASP 183.A O no hydrogen 3.238 N/A LEU 187.A N ASP 183.A O no hydrogen 2.913 N/A ALA 188.A N ILE 184.A O no hydrogen 3.236 N/A LEU 189.A N PHE 185.A O no hydrogen 3.279 N/A THR 190.A N ALA 186.A O no hydrogen 2.886 N/A THR 190.A OG1 ALA 186.A O no hydrogen 2.631 N/A VAL 191.A N LEU 187.A O no hydrogen 2.862 N/A VAL 192.A N ALA 188.A O no hydrogen 2.982 N/A CYS 193.A N LEU 189.A O no hydrogen 2.991 N/A CYS 193.A SG LEU 189.A O no hydrogen 3.319 N/A ALA 194.A N THR 190.A O no hydrogen 3.137 N/A ALA 195.A N VAL 191.A O no hydrogen 2.963 N/A GLY 196.A N CYS 193.A O no hydrogen 3.295 N/A ALA 197.A N VAL 192.A O no hydrogen 3.337 N/A TRP 207.A NE1 SER 164.A O no hydrogen 2.445 N/A HIS 208.A N GLY 204.A O no hydrogen 3.239 N/A GLU 209.A N ASP 205.A O no hydrogen 3.050 N/A ILE 210.A N GLN 206.A O no hydrogen 3.246 N/A ARG 211.A N TRP 207.A O no hydrogen 3.297 N/A ARG 211.A NE TRP 207.A O no hydrogen 3.209 N/A ARG 211.A NH1 LEU 167.A O no hydrogen 2.752 N/A ARG 211.A NH2 TRP 207.A O no hydrogen 3.085 N/A GLN 212.A N HIS 208.A O no hydrogen 3.053 N/A GLN 212.A NE2 HIS 208.A O no hydrogen 3.350 N/A GLY 213.A N ILE 210.A O no hydrogen 2.808 N/A GLN 220.A N ILE 218.A O no hydrogen 2.868 N/A GLN 220.A NE2 PHE 102.A O no hydrogen 2.666 N/A GLN 220.A NE2 ALA 195.A O no hydrogen 3.045 N/A SER 223.A N GLU 104.A OE1 no hydrogen 2.715 N/A SER 223.A OG GLU 104.A OE2 no hydrogen 2.599 N/A PHE 226.A N SER 223.A OG no hydrogen 3.346 N/A THR 227.A N SER 223.A O no hydrogen 3.078 N/A THR 227.A OG1 SER 223.A O no hydrogen 3.144 N/A GLU 228.A N GLN 224.A O no hydrogen 2.975 N/A LEU 229.A N GLU 225.A O no hydrogen 3.000 N/A LEU 230.A N PHE 226.A O no hydrogen 3.039 N/A LYS 231.A N THR 227.A O no hydrogen 3.026 N/A VAL 232.A N GLU 228.A O no hydrogen 3.056 N/A MET 233.A N LEU 229.A O no hydrogen 3.379 N/A ILE 234.A N LYS 231.A O no hydrogen 3.049 N/A HIS 235.A N VAL 232.A O no hydrogen 3.253 N/A ASP 237.A N HIS 235.A ND1 no hydrogen 2.996 N/A GLU 239.A N ASP 237.A OD1 no hydrogen 2.956 N/A ARG 240.A N ASP 237.A O no hydrogen 2.895 N/A ARG 241.A N PRO 238.A O no hydrogen 3.257 N/A ARG 241.A NE HIS 235.A O no hydrogen 2.793 N/A ARG 241.A NH1 GLU 170.A OE2 no hydrogen 3.047 N/A ARG 241.A NH1 LYS 181.A O no hydrogen 2.846 N/A ARG 241.A NH2 GLU 170.A OE1 no hydrogen 3.058 N/A ARG 241.A NH2 HIS 235.A O no hydrogen 3.039 N/A ALA 246.A N SER 243.A OG no hydrogen 3.129 N/A LEU 247.A N SER 243.A O no hydrogen 2.866 N/A VAL 248.A N ALA 244.A O no hydrogen 2.996 N/A LYS 249.A N MET 245.A O no hydrogen 3.190 N/A LYS 249.A N ALA 246.A O no hydrogen 3.118 N/A HIS 250.A N LEU 247.A O no hydrogen 3.101 N/A VAL 252.A N HIS 250.A ND1 no hydrogen 3.054 N/A LEU 253.A N HIS 250.A O no hydrogen 3.066 N/A LEU 254.A N SER 251.A O no hydrogen 2.915 N/A ALA 256.A N LEU 253.A O no hydrogen 2.877 N/A SER 257.A N LEU 254.A O no hydrogen 2.975 N/A SER 257.A OG LEU 253.A O no hydrogen 3.079 N/A