Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r2p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N VAL 2.A O no hydrogen 3.299 N/A ALA 6.A N VAL 2.A O no hydrogen 2.753 N/A ILE 9.A N VAL 81.A O no hydrogen 2.840 N/A CYS 13.A N GLU 10.A O no hydrogen 2.839 N/A CYS 13.A SG LYS 34.A O no hydrogen 3.544 N/A ILE 14.A N ALA 11.A O no hydrogen 3.010 N/A THR 15.A N ARG 32.A O no hydrogen 3.064 N/A GLU 17.A N.A SER 30.A O no hydrogen 2.824 N/A GLU 17.A N.B SER 30.A O no hydrogen 2.865 N/A ARG 18.A N SER 30.A O no hydrogen 3.088 N/A ARG 18.A NH2 GLU 17.A OE2.B no hydrogen 3.492 N/A ILE 20.A N VAL 28.A O no hydrogen 3.064 N/A GLY 21.A N VAL 28.A O no hydrogen 3.207 N/A GLY 23.A N GLY 26.A O no hydrogen 2.700 N/A VAL 28.A N GLY 21.A O no hydrogen 2.996 N/A CYS 29.A N ILE 45.A O no hydrogen 2.619 N/A SER 30.A N ARG 18.A O no hydrogen 2.774 N/A SER 30.A OG ARG 18.A O no hydrogen 3.263 N/A GLY 31.A N VAL 43.A O no hydrogen 2.925 N/A ARG 32.A N THR 15.A O no hydrogen 2.698 N/A ARG 32.A NH1 GLU 17.A OE2.A no hydrogen 2.346 N/A LEU 33.A N LEU 41.A O no hydrogen 2.636 N/A LYS 34.A N CYS 13.A O no hydrogen 3.002 N/A LYS 34.A NZ LEU 35.A O no hydrogen 3.013 N/A LYS 34.A NZ LYS 38.A O no hydrogen 2.803 N/A LYS 38.A N LEU 35.A O no hydrogen 3.330 N/A LEU 41.A N LEU 33.A O no hydrogen 2.575 N/A VAL 43.A N GLY 31.A O no hydrogen 2.961 N/A ALA 44.A N THR 92.A O no hydrogen 2.888 N/A ILE 45.A N CYS 29.A O no hydrogen 2.652 N/A LYS 46.A N ILE 90.A O no hydrogen 2.923 N/A LYS 46.A NZ GLU 63.A OE1 no hydrogen 2.598 N/A THR 47.A N GLU 27.A O no hydrogen 2.916 N/A THR 47.A OG1 GLU 27.A O no hydrogen 3.386 N/A LEU 48.A N VAL 88.A O no hydrogen 2.894 N/A LYS 49.A N PHE 25.A O no hydrogen 2.977 N/A ARG 57.A N THR 53.A O no hydrogen 3.169 N/A ARG 58.A N GLU 54.A O no hydrogen 3.297 N/A ASP 59.A N LYS 55.A O no hydrogen 3.062 N/A PHE 60.A N GLN 56.A O no hydrogen 2.863 N/A LEU 61.A N ARG 57.A O no hydrogen 2.946 N/A GLY 62.A N ARG 58.A O no hydrogen 2.662 N/A SER 65.A N LEU 61.A O no hydrogen 3.190 N/A SER 65.A OG GLY 62.A O no hydrogen 3.151 N/A ILE 66.A N GLY 62.A O no hydrogen 3.263 N/A ILE 66.A N GLU 63.A O no hydrogen 3.098 N/A MET 67.A N GLU 63.A O no hydrogen 2.825 N/A GLY 68.A N ALA 64.A O no hydrogen 2.972 N/A GLN 69.A N ILE 66.A O no hydrogen 3.145 N/A GLN 69.A NE2 SER 65.A O no hydrogen 2.997 N/A PHE 70.A N MET 67.A O no hydrogen 3.057 N/A ASP 71.A N TYR 129.A OH no hydrogen 3.096 N/A HIS 72.A NE2 ASN 74.A OD1 no hydrogen 3.149 N/A ASN 74.A ND2 CYS 153.A O no hydrogen 3.251 N/A ILE 75.A N HIS 72.A O no hydrogen 3.033 N/A ILE 76.A N VAL 155.A O no hydrogen 3.130 N/A HIS 77.A N GLU 93.A OE2 no hydrogen 2.852 N/A GLU 79.A N VAL 91.A O no hydrogen 2.794 N/A GLY 80.A N VAL 91.A O no hydrogen 3.250 N/A VAL 81.A N LYS 7.A O no hydrogen 2.970 N/A VAL 82.A N MET 89.A O no hydrogen 2.897 N/A THR 83.A N GLU 8.A OE1 no hydrogen 3.073 N/A THR 83.A N GLU 8.A OE2 no hydrogen 3.263 N/A THR 83.A OG1 HIS 3.A NE2 no hydrogen 3.037 N/A THR 83.A OG1 GLU 8.A OE1 no hydrogen 2.702 N/A LYS 84.A N GLU 8.A OE2 no hydrogen 3.285 N/A MET 89.A N VAL 82.A O no hydrogen 2.934 N/A ILE 90.A N LYS 46.A O no hydrogen 2.910 N/A VAL 91.A N GLY 80.A O no hydrogen 2.741 N/A THR 92.A N ALA 44.A O no hydrogen 2.846 N/A THR 92.A OG1 ALA 44.A O no hydrogen 3.537 N/A THR 92.A OG1 GLU 93.A O no hydrogen 3.214 N/A GLU 93.A N HIS 77.A O no hydrogen 2.965 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.873 N/A ASN 97.A N ILE 147.A O no hydrogen 2.965 N/A ASN 97.A ND2 ASN 148.A O no hydrogen 2.978 N/A GLY 98.A N MET 95.A O no hydrogen 3.222 N/A SER 99.A OG ARG 143.A O no hydrogen 3.391 N/A LEU 100.A N ILE 145.A O no hydrogen 2.725 N/A THR 102.A OG1 ASP 101.A OD1 no hydrogen 3.563 N/A PHE 103.A N SER 99.A O no hydrogen 3.033 N/A LEU 104.A N LEU 100.A O no hydrogen 2.984 N/A LYS 105.A N ASP 101.A O no hydrogen 3.235 N/A LYS 106.A N THR 102.A O no hydrogen 3.255 N/A ASN 107.A N LEU 104.A O no hydrogen 3.108 N/A ASN 107.A ND2 PHE 103.A O no hydrogen 2.657 N/A GLN 110.A N ASN 107.A O no hydrogen 2.977 N/A PHE 111.A N TYR 211.A OH no hydrogen 3.159 N/A THR 112.A N GLN 115.A OE1 no hydrogen 2.839 N/A GLN 115.A N THR 112.A OG1 no hydrogen 2.954 N/A LEU 116.A N THR 112.A O no hydrogen 3.152 N/A VAL 117.A N VAL 113.A O no hydrogen 2.805 N/A GLY 118.A N ILE 114.A O no hydrogen 2.900 N/A MET 119.A N GLN 115.A O no hydrogen 3.227 N/A LEU 120.A N LEU 116.A O no hydrogen 3.108 N/A ARG 121.A N VAL 117.A O no hydrogen 2.838 N/A ARG 121.A N GLY 118.A O no hydrogen 3.229 N/A ARG 121.A NE ASP 270.A OD1 no hydrogen 2.703 N/A ARG 121.A NH2 ASP 270.A OD1 no hydrogen 3.522 N/A ARG 121.A NH2 ASP 270.A OD2 no hydrogen 3.000 N/A GLY 122.A N GLY 118.A O no hydrogen 3.219 N/A ILE 123.A N MET 119.A O no hydrogen 3.128 N/A SER 124.A N LEU 120.A O no hydrogen 3.096 N/A SER 124.A OG LEU 120.A O no hydrogen 3.290 N/A SER 124.A OG ARG 121.A O no hydrogen 3.060 N/A ALA 125.A N ARG 121.A O no hydrogen 2.997 N/A GLY 126.A N GLY 122.A O no hydrogen 3.119 N/A MET 127.A N ILE 123.A O no hydrogen 3.048 N/A LYS 128.A N SER 124.A O no hydrogen 2.814 N/A TYR 129.A N ALA 125.A O no hydrogen 3.130 N/A LEU 130.A N GLY 126.A O no hydrogen 2.845 N/A SER 131.A N MET 127.A O no hydrogen 2.733 N/A SER 131.A OG SER 194.A OG no hydrogen 2.804 N/A ASP 132.A N LYS 128.A O no hydrogen 2.909 N/A MET 133.A N TYR 129.A O no hydrogen 2.978 N/A MET 133.A N LEU 130.A O no hydrogen 3.132 N/A GLY 134.A N SER 131.A O no hydrogen 3.013 N/A TYR 135.A N LEU 130.A O no hydrogen 3.177 N/A VAL 136.A N ARG 162.A O no hydrogen 2.949 N/A HIS 137.A N ASP 197.A OD2 no hydrogen 2.725 N/A HIS 137.A NE2 SER 156.A O no hydrogen 2.849 N/A ARG 138.A N ASP 197.A OD1 no hydrogen 2.931 N/A ARG 138.A NH1 LEU 160.A O no hydrogen 2.812 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.065 N/A ALA 142.A N GLU 207.A OE1 no hydrogen 3.106 N/A ARG 143.A NH2 ASP 139.A OD1 no hydrogen 3.448 N/A ASN 144.A N ALA 141.A O no hydrogen 2.876 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.744 N/A ILE 145.A N ALA 142.A O no hydrogen 2.985 N/A LEU 146.A N LYS 154.A O no hydrogen 2.948 N/A ILE 147.A N GLY 98.A O no hydrogen 2.923 N/A ASN 148.A N VAL 152.A O no hydrogen 3.022 N/A SER 149.A N GLU 96.A OE1 no hydrogen 3.249 N/A ASN 150.A N ASN 148.A OD1 no hydrogen 2.929 N/A LEU 151.A N ASN 148.A O no hydrogen 3.024 N/A VAL 152.A N ASN 148.A OD1 no hydrogen 2.775 N/A CYS 153.A SG LEU 151.A O no hydrogen 4.041 N/A LYS 154.A N LEU 146.A O no hydrogen 2.754 N/A LYS 154.A NZ PRO 73.A O no hydrogen 3.078 N/A LYS 154.A NZ GLU 93.A OE1 no hydrogen 2.891 N/A LYS 154.A NZ GLU 93.A OE2 no hydrogen 3.341 N/A VAL 155.A N ASN 74.A O no hydrogen 2.914 N/A SER 156.A N ASN 144.A O no hydrogen 3.222 N/A PHE 158.A N GLU 63.A OE2 no hydrogen 2.928 N/A ARG 162.A N VAL 136.A O no hydrogen 3.041 N/A ARG 162.A NE TYR 171.A OH no hydrogen 3.487 N/A ARG 162.A NH1 GLY 159.A O no hydrogen 2.924 N/A ARG 162.A NH1 SER 161.A O no hydrogen 2.918 N/A ARG 162.A NH2 GLY 159.A O no hydrogen 3.555 N/A LEU 164.A N GLY 134.A O no hydrogen 2.703 N/A GLU 165.A N ALA 170.A O no hydrogen 3.304 N/A TYR 171.A N PHE 192.A O no hydrogen 3.012 N/A THR 173.A N ARG 190.A O no hydrogen 3.402 N/A ARG 180.A NH1 MET 219.A O no hydrogen 2.511 N/A ARG 180.A NH1 ASN 221.A OD1 no hydrogen 3.239 N/A ARG 180.A NH2 PRO 215.A O no hydrogen 3.083 N/A ARG 180.A NH2 MET 219.A O no hydrogen 2.973 N/A TRP 181.A N PRO 178.A O no hydrogen 3.284 N/A TRP 181.A NE1 GLU 207.A OE1 no hydrogen 2.842 N/A THR 182.A N ILE 179.A O no hydrogen 3.037 N/A THR 182.A OG1 PRO 178.A O no hydrogen 2.699 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.752 N/A ALA 186.A N ALA 183.A O no hydrogen 2.959 N/A ILE 187.A N ALA 183.A O no hydrogen 2.974 N/A ALA 188.A N PRO 184.A O no hydrogen 2.790 N/A PHE 189.A N GLU 185.A O no hydrogen 2.951 N/A PHE 192.A N TYR 171.A O no hydrogen 2.855 N/A THR 193.A N SER 196.A OG no hydrogen 2.789 N/A SER 194.A OG SER 131.A OG no hydrogen 2.804 N/A SER 196.A N THR 193.A OG1 no hydrogen 3.214 N/A SER 196.A OG THR 193.A O no hydrogen 2.786 N/A ASP 197.A N THR 193.A O no hydrogen 3.128 N/A VAL 198.A N SER 194.A O no hydrogen 3.012 N/A TRP 199.A N ALA 195.A O no hydrogen 3.248 N/A SER 200.A N SER 196.A O no hydrogen 3.078 N/A SER 200.A OG TRP 181.A O no hydrogen 2.736 N/A SER 200.A OG SER 196.A O no hydrogen 3.307 N/A TYR 201.A N ASP 197.A O no hydrogen 2.804 N/A TYR 201.A OH LEU 120.A O no hydrogen 2.532 N/A GLY 202.A N VAL 198.A O no hydrogen 2.842 N/A ILE 203.A N TRP 199.A O no hydrogen 3.230 N/A VAL 204.A N SER 200.A O no hydrogen 2.985 N/A MET 205.A N TYR 201.A O no hydrogen 2.875 N/A TRP 206.A N GLY 202.A O no hydrogen 3.133 N/A TRP 206.A NE1 PRO 235.A O no hydrogen 2.793 N/A GLU 207.A N ILE 203.A O no hydrogen 2.907 N/A VAL 208.A N VAL 204.A O no hydrogen 2.773 N/A VAL 209.A N MET 205.A O no hydrogen 3.048 N/A SER 210.A N TRP 206.A O no hydrogen 2.994 N/A SER 210.A OG TRP 206.A O no hydrogen 2.607 N/A TYR 211.A N VAL 208.A O no hydrogen 3.029 N/A GLY 212.A N GLU 207.A O no hydrogen 2.841 N/A ARG 214.A NE TRP 217.A O no hydrogen 3.225 N/A TRP 217.A N ARG 214.A O no hydrogen 3.098 N/A TRP 217.A NE1 GLU 213.A OE2 no hydrogen 2.877 N/A MET 219.A N TYR 216.A O no hydrogen 2.896 N/A THR 220.A N ASP 223.A OD2 no hydrogen 3.297 N/A ASP 223.A N THR 220.A OG1 no hydrogen 2.962 N/A VAL 224.A N THR 220.A O no hydrogen 3.032 N/A ILE 225.A N ASN 221.A O no hydrogen 3.105 N/A LYS 226.A N GLN 222.A O no hydrogen 3.069 N/A ALA 227.A N ASP 223.A O no hydrogen 2.922 N/A VAL 228.A N VAL 224.A O no hydrogen 2.937 N/A GLU 229.A N ILE 225.A O no hydrogen 2.950 N/A GLU 230.A N LYS 226.A O no hydrogen 3.021 N/A GLU 230.A N ALA 227.A O no hydrogen 3.032 N/A GLY 231.A N VAL 228.A O no hydrogen 3.071 N/A TYR 232.A N ALA 227.A O no hydrogen 3.032 N/A ARG 233.A NE TRP 252.A O no hydrogen 2.828 N/A ARG 233.A NH1 VAL 228.A O no hydrogen 2.967 N/A ARG 233.A NH1 TYR 232.A O no hydrogen 2.773 N/A ARG 233.A NH2 TRP 252.A O no hydrogen 2.863 N/A SER 236.A OG PRO 237.A O no hydrogen 3.225 N/A CYS 240.A N PRO 237.A O no hydrogen 3.368 N/A CYS 240.A SG PRO 241.A O no hydrogen 3.342 N/A TYR 245.A N PRO 241.A O no hydrogen 2.989 N/A TYR 245.A OH LEU 234.A O no hydrogen 2.618 N/A GLN 246.A N ALA 242.A O no hydrogen 2.836 N/A GLN 246.A NE2 ASP 250.A OD1 no hydrogen 3.135 N/A LEU 247.A N ALA 243.A O no hydrogen 3.014 N/A MET 248.A N LEU 244.A O no hydrogen 3.035 N/A LEU 249.A N TYR 245.A O no hydrogen 3.009 N/A ASP 250.A N GLN 246.A O no hydrogen 2.866 N/A CYS 251.A N LEU 247.A O no hydrogen 3.015 N/A CYS 251.A SG LEU 247.A O no hydrogen 3.350 N/A TRP 252.A N MET 248.A O no hydrogen 3.079 N/A TRP 252.A N LEU 249.A O no hydrogen 2.884 N/A GLN 253.A N ASP 250.A O no hydrogen 3.282 N/A ASN 257.A N GLU 255.A OE2 no hydrogen 2.888 N/A SER 258.A N GLU 255.A O no hydrogen 3.003 N/A ARG 259.A N ARG 256.A O no hydrogen 3.086 N/A ARG 259.A NE GLN 253.A O no hydrogen 2.811 N/A ARG 259.A NH1 GLU 185.A OE2 no hydrogen 2.789 N/A ARG 259.A NH1 ALA 195.A O no hydrogen 2.919 N/A ARG 259.A NH2 GLU 185.A OE1 no hydrogen 2.998 N/A ARG 259.A NH2 GLN 253.A O no hydrogen 2.929 N/A LYS 261.A N GLU 264.A OE1 no hydrogen 2.677 N/A ILE 265.A N LYS 261.A O no hydrogen 3.069 N/A VAL 266.A N PHE 262.A O no hydrogen 2.974 N/A ASN 267.A N ASP 263.A O no hydrogen 3.110 N/A MET 268.A N GLU 264.A O no hydrogen 2.983 N/A LEU 269.A N ILE 265.A O no hydrogen 2.951 N/A ASP 270.A N VAL 266.A O no hydrogen 2.863 N/A LYS 271.A N ASN 267.A O no hydrogen 3.090 N/A LEU 272.A N MET 268.A O no hydrogen 3.188 N/A ILE 273.A N LEU 269.A O no hydrogen 3.053 N/A ARG 274.A N ASP 270.A O no hydrogen 3.122 N/A ASN 275.A N LEU 272.A O no hydrogen 3.080 N/A ALA 277.A N ASN 275.A OD1 no hydrogen 2.957 N/A HIS 278.A N ASN 275.A O no hydrogen 3.108 N/A HIS 279.A N PRO 276.A O no hydrogen 3.043 N/A HIS 279.A NE2 ILE 273.A O no hydrogen 2.706 N/A