Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N LEU 3.A O no hydrogen 3.349 N/A ARG 7.A NH1 ASP 76.A OD1 no hydrogen 3.384 N/A VAL 10.A N LEU 6.A O no hydrogen 3.422 N/A ALA 11.A N ARG 7.A O no hydrogen 3.287 N/A VAL 12.A N PHE 9.A O no hydrogen 3.283 N/A VAL 13.A N PHE 9.A O no hydrogen 3.331 N/A GLU 14.A N VAL 10.A O no hydrogen 2.947 N/A GLN 16.A N VAL 13.A O no hydrogen 3.031 N/A GLN 16.A NE2 VAL 55.A O no hydrogen 3.221 N/A THR 19.A N SER 17.A OG no hydrogen 3.259 N/A GLN 35.A N PRO 31.A O no hydrogen 3.470 N/A GLN 37.A N SER 33.A O no hydrogen 2.626 N/A GLU 40.A N ILE 36.A O no hydrogen 3.050 N/A GLU 42.A N GLU 40.A O no hydrogen 2.889 N/A ILE 45.A N GLU 40.A O no hydrogen 3.271 N/A LEU 47.A N GLU 40.A OE2 no hydrogen 2.900 N/A ARG 50.A NH1 GLN 37.A OE1 no hydrogen 2.644 N/A ARG 50.A NH2 GLN 37.A OE1 no hydrogen 3.222 N/A THR 58.A OG1 LEU 47.A O no hydrogen 3.514 N/A GLU 60.A N GLU 60.A OE2 no hydrogen 2.838 N/A HIS 62.A N THR 58.A O no hydrogen 2.661 N/A TYR 65.A N HIS 62.A O no hydrogen 3.109 N/A TYR 65.A OH GLU 14.A OE2 no hydrogen 3.332 N/A GLN 66.A N HIS 62.A O no hydrogen 3.101 N/A GLN 66.A N PHE 63.A O no hydrogen 2.991 N/A TYR 67.A N PHE 63.A O no hydrogen 2.972 N/A LEU 71.A N TYR 67.A O no hydrogen 3.058 N/A LEU 72.A N ALA 68.A O no hydrogen 2.781 N/A SER 73.A N ILE 69.A O no hydrogen 3.365 N/A ASN 74.A N LYS 70.A O no hydrogen 3.155 N/A GLN 77.A N ASN 74.A O no hydrogen 3.200 N/A MET 78.A N ASN 74.A O no hydrogen 2.717 N/A VAL 79.A N VAL 75.A O no hydrogen 2.841 N/A THR 82.A N MET 78.A O no hydrogen 3.090 N/A THR 82.A OG1 MET 78.A O no hydrogen 2.431 N/A ILE 85.A N LYS 83.A O no hydrogen 2.496 N/A ILE 92.A N ARG 120.A O no hydrogen 2.831 N/A ARG 93.A N ASP 141.A OD1 no hydrogen 2.839 N/A ILE 94.A N GLU 122.A O no hydrogen 3.041 N/A GLY 95.A N ALA 142.A O no hydrogen 2.895 N/A PHE 96.A N TYR 124.A O no hydrogen 3.047 N/A VAL 97.A N PHE 144.A O no hydrogen 3.270 N/A LEU 100.A N VAL 97.A O no hydrogen 2.782 N/A LEU 101.A N GLY 98.A O no hydrogen 2.821 N/A GLY 103.A N LEU 100.A O no hydrogen 2.800 N/A ILE 108.A N LEU 104.A O no hydrogen 3.056 N/A ILE 109.A N LEU 105.A O no hydrogen 2.908 N/A HIS 110.A N PRO 106.A O no hydrogen 2.833 N/A LEU 111.A N ARG 107.A O no hydrogen 3.278 N/A LEU 111.A N ILE 108.A O no hydrogen 3.151 N/A TYR 112.A N ILE 108.A O no hydrogen 3.236 N/A TYR 112.A OH TYR 281.A O no hydrogen 3.354 N/A ARG 113.A N ILE 109.A O no hydrogen 2.793 N/A GLN 114.A N HIS 110.A O no hydrogen 3.092 N/A GLN 114.A NE2 HIS 110.A O no hydrogen 2.998 N/A ALA 115.A N LEU 111.A O no hydrogen 2.855 N/A HIS 116.A N TYR 112.A O no hydrogen 3.144 N/A HIS 116.A NE2 SER 284.A OG no hydrogen 2.725 N/A ARG 120.A N LYS 90.A O no hydrogen 3.348 N/A ARG 120.A NE GLU 122.A OE2 no hydrogen 3.009 N/A GLU 122.A N ILE 92.A O no hydrogen 3.094 N/A TYR 124.A N ILE 94.A O no hydrogen 2.968 N/A TYR 124.A OH GLU 122.A OE1 no hydrogen 2.517 N/A MET 126.A N PHE 96.A O no hydrogen 2.862 N/A LYS 129.A NZ GLU 133.A OE2 no hydrogen 2.880 N/A GLN 131.A N GLY 127.A O no hydrogen 2.912 N/A GLN 131.A NE2 MET 126.A O no hydrogen 3.077 N/A GLN 131.A NE2 PHE 144.A O no hydrogen 2.761 N/A THR 132.A N THR 128.A O no hydrogen 2.964 N/A THR 132.A OG1 THR 128.A O no hydrogen 2.773 N/A GLU 133.A N LYS 129.A O no hydrogen 3.209 N/A ALA 134.A N ALA 130.A O no hydrogen 2.656 N/A LEU 135.A N GLN 131.A O no hydrogen 2.745 N/A LYS 136.A N THR 132.A O no hydrogen 3.075 N/A LYS 136.A NZ ASP 151.A OD2 no hydrogen 3.141 N/A GLU 137.A N GLU 133.A O no hydrogen 2.974 N/A GLY 138.A N LEU 135.A O no hydrogen 3.119 N/A ARG 139.A N ALA 134.A O no hydrogen 2.892 N/A ARG 139.A NE GLU 137.A OE1 no hydrogen 3.252 N/A ARG 139.A NH2 GLU 137.A OE1 no hydrogen 2.524 N/A ASP 141.A N ARG 93.A O no hydrogen 2.839 N/A GLY 143.A N ALA 272.A O no hydrogen 2.914 N/A PHE 144.A N GLY 95.A O no hydrogen 2.905 N/A GLY 145.A N TYR 270.A O no hydrogen 3.277 N/A ARG 146.A NE SER 99.A OG no hydrogen 3.028 N/A ARG 146.A NH1 GLU 162.A OE1 no hydrogen 2.665 N/A ARG 146.A NH2 SER 99.A OG no hydrogen 2.743 N/A ARG 146.A NH2 GLU 162.A OE1 no hydrogen 3.080 N/A ALA 153.A N ASP 151.A OD1 no hydrogen 3.139 N/A ILE 154.A N ASP 151.A O no hydrogen 2.751 N/A LYS 155.A N VAL 273.A O no hydrogen 3.081 N/A LYS 155.A NZ ARG 156.A O no hydrogen 3.233 N/A THR 157.A N ILE 271.A O no hydrogen 2.836 N/A LEU 159.A N ILE 269.A O no hydrogen 2.885 N/A GLU 162.A N THR 267.A O no hydrogen 2.838 N/A ARG 163.A NH1 PRO 263.A O no hydrogen 3.101 N/A ARG 163.A NH2 LEU 260.A O no hydrogen 3.064 N/A ARG 163.A NH2 ASP 262.A O no hydrogen 2.570 N/A LEU 164.A N ALA 265.A O no hydrogen 2.955 N/A MET 165.A N VAL 243.A O no hydrogen 2.665 N/A VAL 166.A N VAL 258.A O no hydrogen 2.759 N/A ALA 167.A N SER 241.A O no hydrogen 2.629 N/A VAL 168.A N SER 256.A O no hydrogen 2.809 N/A ALA 170.A N ASN 254.A O no hydrogen 3.134 N/A HIS 172.A N HIS 169.A O no hydrogen 2.942 N/A HIS 172.A NE2 GLU 190.A OE1 no hydrogen 2.753 N/A LEU 174.A N HIS 172.A ND1 no hydrogen 2.819 N/A ASN 175.A N HIS 172.A O no hydrogen 2.742 N/A ASN 175.A ND2 ALA 170.A O no hydrogen 2.948 N/A GLN 176.A N PRO 173.A O no hydrogen 3.281 N/A MET 177.A N LEU 174.A O no hydrogen 3.126 N/A LYS 178.A N ASN 175.A O no hydrogen 3.081 N/A LYS 178.A NZ SER 256.A OG no hydrogen 2.668 N/A GLY 181.A N MET 177.A O no hydrogen 2.653 N/A VAL 182.A N PRO 259.A O no hydrogen 3.165 N/A HIS 183.A N ASP 186.A OD2 no hydrogen 3.140 N/A LEU 184.A N ASP 262.A OD2 no hydrogen 2.578 N/A ASP 186.A N HIS 183.A O no hydrogen 3.090 N/A LEU 187.A N LEU 184.A O no hydrogen 2.749 N/A GLU 190.A N LEU 187.A O no hydrogen 2.913 N/A ILE 192.A N LYS 220.A O no hydrogen 2.665 N/A LEU 193.A N ILE 240.A O no hydrogen 2.713 N/A LEU 194.A N ASN 222.A O no hydrogen 3.121 N/A TYR 195.A OH LEU 242.A O no hydrogen 3.222 N/A SER 197.A N VAL 224.A O no hydrogen 3.269 N/A ASN 202.A ND2 SER 198.A O no hydrogen 2.917 N/A SER 204.A OG GLU 223.A OE2 no hydrogen 3.350 N/A THR 205.A N ASN 202.A O no hydrogen 2.767 N/A THR 205.A OG1 ASN 202.A O no hydrogen 2.592 N/A HIS 206.A N ASN 202.A O no hydrogen 3.275 N/A VAL 207.A N PHE 203.A O no hydrogen 3.001 N/A MET 208.A N SER 204.A O no hydrogen 3.224 N/A ASN 209.A N THR 205.A O no hydrogen 2.830 N/A ILE 210.A N HIS 206.A O no hydrogen 3.035 N/A PHE 211.A N VAL 207.A O no hydrogen 3.101 N/A SER 212.A N MET 208.A O no hydrogen 2.884 N/A SER 212.A OG GLU 217.A OE1 no hydrogen 3.381 N/A ASP 213.A N ASN 209.A O no hydrogen 2.497 N/A HIS 214.A N PHE 211.A O no hydrogen 2.878 N/A HIS 214.A ND1 ILE 210.A O no hydrogen 2.612 N/A GLY 215.A N SER 212.A O no hydrogen 2.660 N/A LEU 216.A N PHE 211.A O no hydrogen 2.820 N/A LYS 220.A NZ ASP 189.A O no hydrogen 2.920 N/A ASN 222.A N ILE 192.A O no hydrogen 2.804 N/A VAL 224.A N LEU 194.A O no hydrogen 2.875 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 3.195 N/A ALA 230.A N LYS 226.A O no hydrogen 3.039 N/A LEU 231.A N VAL 227.A O no hydrogen 2.761 N/A GLY 232.A N GLN 228.A O no hydrogen 2.746 N/A LEU 233.A N LEU 229.A O no hydrogen 2.852 N/A VAL 234.A N ALA 230.A O no hydrogen 2.866 N/A ALA 235.A N LEU 231.A O no hydrogen 2.806 N/A ALA 236.A N LEU 233.A O no hydrogen 3.346 N/A GLY 237.A N VAL 234.A O no hydrogen 2.886 N/A GLU 238.A N LEU 233.A O no hydrogen 2.847 N/A ILE 240.A N LYS 191.A O no hydrogen 2.917 N/A SER 241.A N ALA 167.A O no hydrogen 3.174 N/A SER 241.A OG LEU 193.A O no hydrogen 2.794 N/A SER 241.A OG LEU 242.A O no hydrogen 3.287 N/A VAL 243.A N MET 165.A O no hydrogen 2.743 N/A ALA 245.A N ARG 163.A O no hydrogen 2.869 N/A SER 246.A N GLU 162.A OE2 no hydrogen 2.814 N/A SER 246.A OG GLU 162.A OE2 no hydrogen 2.691 N/A THR 247.A N PRO 244.A O no hydrogen 3.176 N/A THR 247.A OG1 PRO 244.A O no hydrogen 3.032 N/A GLN 248.A N ALA 245.A O no hydrogen 2.981 N/A SER 249.A N SER 246.A O no hydrogen 3.165 N/A SER 249.A OG PHE 102.A O no hydrogen 3.466 N/A SER 249.A OG SER 246.A O no hydrogen 3.511 N/A ILE 250.A N THR 247.A O no hydrogen 2.833 N/A GLN 251.A NE2 GLN 248.A O no hydrogen 3.418 N/A LEU 255.A N LEU 252.A O no hydrogen 2.913 N/A SER 256.A N VAL 168.A O no hydrogen 2.537 N/A SER 256.A OG ASN 175.A OD1 no hydrogen 2.779 N/A TYR 257.A OH ILE 250.A O no hydrogen 2.749 N/A VAL 258.A N VAL 166.A O no hydrogen 2.847 N/A LEU 261.A N VAL 182.A O no hydrogen 2.675 N/A ALA 265.A N ASP 262.A O no hydrogen 2.801 N/A ILE 266.A N ASP 264.A O no hydrogen 2.574 N/A THR 267.A N GLU 162.A O no hydrogen 2.684 N/A ILE 269.A N ARG 160.A O no hydrogen 3.223 N/A TYR 270.A N GLY 145.A O no hydrogen 3.065 N/A ILE 271.A N THR 157.A O no hydrogen 2.917 N/A ALA 272.A N GLY 143.A O no hydrogen 2.947 N/A VAL 273.A N LYS 155.A O no hydrogen 2.988 N/A ARG 274.A NH1 LEU 135.A O no hydrogen 2.771 N/A ARG 274.A NH1 ILE 140.A O no hydrogen 2.638 N/A ARG 274.A NH2 ILE 140.A O no hydrogen 3.229 N/A ARG 274.A NH2 ASP 141.A OD2 no hydrogen 2.786 N/A ASN 275.A N ALA 153.A O no hydrogen 3.148 N/A SER 279.A N GLU 277.A OE2 no hydrogen 2.832 N/A TYR 281.A N SER 279.A OG no hydrogen 2.927 N/A TYR 281.A OH ASN 118.A OD1 no hydrogen 3.423 N/A ILE 282.A N SER 279.A OG no hydrogen 3.241 N/A TYR 283.A N SER 279.A O no hydrogen 3.224 N/A SER 284.A N THR 280.A O no hydrogen 2.967 N/A SER 284.A OG HIS 116.A NE2 no hydrogen 2.725 N/A LEU 285.A N TYR 281.A O no hydrogen 2.902 N/A TYR 286.A N ILE 282.A O no hydrogen 2.699 N/A TYR 286.A OH PRO 302.A O no hydrogen 2.610 N/A GLU 287.A N TYR 283.A O no hydrogen 2.727 N/A THR 288.A N SER 284.A O no hydrogen 2.803 N/A THR 288.A N LEU 285.A O no hydrogen 2.835 N/A THR 288.A OG1 SER 284.A O no hydrogen 2.582 N/A ILE 289.A N LEU 285.A O no hydrogen 3.041 N/A ARG 290.A N TYR 286.A O no hydrogen 3.099 N/A ARG 290.A NE PRO 301.A O no hydrogen 2.331 N/A ARG 290.A NH2 PRO 301.A O no hydrogen 2.953 N/A GLN 291.A N GLU 287.A O no hydrogen 2.833 N/A GLN 291.A NE2 GLU 287.A O no hydrogen 3.625 N/A ILE 292.A N THR 288.A O no hydrogen 2.850 N/A TYR 293.A N ILE 289.A O no hydrogen 2.872 N/A ALA 294.A N ARG 290.A O no hydrogen 2.937 N/A TYR 295.A N GLN 291.A O no hydrogen 3.273 N/A GLU 296.A N ILE 292.A O no hydrogen 3.190 N/A GLY 297.A N ALA 294.A O no hydrogen 3.354 N/A PHE 298.A N TYR 293.A O no hydrogen 3.328 N/A