Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2p1r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A N GLN 33.A O no hydrogen 3.083 N/A LEU 7.A N THR 59.A O no hydrogen 2.904 N/A LEU 8.A N HIS 35.A O no hydrogen 2.573 N/A ILE 9.A N ILE 61.A O no hydrogen 2.819 N/A LEU 10.A N ARG 37.A O no hydrogen 2.850 N/A ASN 11.A N GLY 63.A O no hydrogen 3.029 N/A ASN 11.A ND2 THR 68.A OG1 no hydrogen 3.120 N/A LYS 13.A N ASN 11.A OD1 no hydrogen 2.947 N/A SER 14.A N ASN 11.A O no hydrogen 2.802 N/A SER 14.A OG ASN 11.A O no hydrogen 2.929 N/A ALA 15.A N GLY 12.A O no hydrogen 2.832 N/A LEU 20.A N ASN 17.A OD1 no hydrogen 2.887 N/A ARG 21.A N ASN 17.A O no hydrogen 3.360 N/A GLU 22.A N GLN 18.A O no hydrogen 2.934 N/A ALA 23.A N PRO 19.A O no hydrogen 2.903 N/A ILE 24.A N LEU 20.A O no hydrogen 3.022 N/A THR 25.A N ARG 21.A O no hydrogen 3.222 N/A THR 25.A OG1 ARG 21.A O no hydrogen 2.660 N/A LEU 26.A N GLU 22.A O no hydrogen 3.292 N/A LEU 27.A N ALA 23.A O no hydrogen 3.087 N/A ARG 28.A N ILE 24.A O no hydrogen 2.804 N/A ARG 28.A NH1 ILE 34.A O no hydrogen 2.612 N/A ASP 29.A N THR 25.A O no hydrogen 3.046 N/A ASP 29.A N LEU 26.A O no hydrogen 3.117 N/A GLU 30.A N LEU 26.A O no hydrogen 3.268 N/A GLY 31.A N ARG 28.A O no hydrogen 3.434 N/A ILE 32.A N LEU 27.A O no hydrogen 3.182 N/A HIS 35.A N SER 6.A O no hydrogen 2.861 N/A ARG 37.A N LEU 8.A O no hydrogen 2.949 N/A ARG 37.A NE GLU 51.A OE2 no hydrogen 2.679 N/A ARG 37.A NH1 VAL 36.A O no hydrogen 2.797 N/A ARG 37.A NH2 GLU 51.A OE2 no hydrogen 2.563 N/A THR 39.A N LEU 10.A O no hydrogen 3.090 N/A TRP 40.A N ASP 44.A OD2 no hydrogen 2.639 N/A GLU 41.A N ASP 44.A OD2 no hydrogen 2.759 N/A GLY 43.A N GLU 71.A OE2 no hydrogen 3.328 N/A ASP 44.A N GLU 41.A O no hydrogen 3.141 N/A GLN 46.A NE2 ASP 50.A OD2 no hydrogen 3.312 N/A ARG 47.A N GLY 43.A O no hydrogen 3.187 N/A ARG 47.A NH1 ASP 44.A OD1 no hydrogen 2.793 N/A ARG 47.A NH2 ASP 44.A OD1 no hydrogen 3.426 N/A ARG 47.A NH2 TYR 48.A OH no hydrogen 2.970 N/A TYR 48.A N ASP 44.A O no hydrogen 2.945 N/A VAL 49.A N ALA 45.A O no hydrogen 2.919 N/A ASP 50.A N GLN 46.A O no hydrogen 3.103 N/A GLU 51.A N ARG 47.A O no hydrogen 3.248 N/A ALA 52.A N TYR 48.A O no hydrogen 2.738 N/A ARG 53.A N VAL 49.A O no hydrogen 3.022 N/A ARG 54.A N ASP 50.A O no hydrogen 3.202 N/A LEU 55.A N GLU 51.A O no hydrogen 3.000 N/A LEU 55.A N ALA 52.A O no hydrogen 3.216 N/A GLY 56.A N ARG 53.A O no hydrogen 2.694 N/A VAL 57.A N ALA 52.A O no hydrogen 3.298 N/A GLU 58.A N ALA 5.A O no hydrogen 3.065 N/A VAL 60.A N ALA 86.A O no hydrogen 2.914 N/A ILE 61.A N LEU 7.A O no hydrogen 2.994 N/A ALA 62.A N GLY 88.A O no hydrogen 2.989 N/A GLY 63.A N ILE 9.A O no hydrogen 2.932 N/A ASP 66.A N ALA 95.A O no hydrogen 2.664 N/A ILE 69.A N GLY 65.A O no hydrogen 2.999 N/A ASN 70.A N ASP 66.A O no hydrogen 2.840 N/A ASN 70.A ND2 ASP 253.A OD2 no hydrogen 2.639 N/A GLU 71.A N GLY 67.A O no hydrogen 3.158 N/A VAL 72.A N THR 68.A O no hydrogen 3.092 N/A SER 73.A N ILE 69.A O no hydrogen 2.829 N/A SER 73.A OG ILE 69.A O no hydrogen 3.248 N/A THR 74.A N ASN 70.A O no hydrogen 2.751 N/A THR 74.A OG1 ASN 70.A O no hydrogen 2.865 N/A ALA 75.A N GLU 71.A O no hydrogen 3.291 N/A LEU 76.A N VAL 72.A O no hydrogen 2.908 N/A ILE 77.A N SER 73.A O no hydrogen 2.766 N/A GLN 78.A N ALA 75.A O no hydrogen 3.121 N/A GLN 78.A NE2 THR 74.A O no hydrogen 3.286 N/A ILE 79.A N LEU 76.A O no hydrogen 3.182 N/A ALA 86.A N GLU 58.A O no hydrogen 2.890 N/A LEU 87.A N ARG 272.A O no hydrogen 2.695 N/A GLY 88.A N VAL 60.A O no hydrogen 2.993 N/A ASN 96.A ND2 LEU 92.A O no hydrogen 3.394 N/A ASP 97.A N ASP 66.A OD2 no hydrogen 3.194 N/A PHE 98.A N ASP 66.A OD1 no hydrogen 3.018 N/A THR 100.A N ASN 96.A O no hydrogen 3.144 N/A THR 100.A OG1 ASN 96.A O no hydrogen 2.774 N/A SER 101.A N ASP 97.A O no hydrogen 2.811 N/A SER 101.A OG ASP 97.A O no hydrogen 3.141 N/A SER 101.A OG PHE 98.A O no hydrogen 2.817 N/A ALA 102.A N PHE 98.A O no hydrogen 2.774 N/A GLY 103.A N THR 100.A O no hydrogen 2.855 N/A ILE 104.A N ALA 99.A O no hydrogen 3.241 N/A ALA 111.A N ALA 107.A O no hydrogen 2.851 N/A LEU 112.A N LEU 108.A O no hydrogen 2.699 N/A LYS 113.A N ASP 109.A O no hydrogen 3.246 N/A LEU 114.A N LYS 110.A O no hydrogen 3.168 N/A ALA 115.A N ALA 111.A O no hydrogen 3.028 N/A ILE 116.A N LYS 113.A O no hydrogen 3.296 N/A ALA 117.A N LYS 113.A O no hydrogen 2.773 N/A GLY 118.A N LEU 114.A O no hydrogen 2.735 N/A ILE 122.A N LEU 271.A O no hydrogen 2.763 N/A ASP 123.A N ILE 200.A O no hydrogen 2.725 N/A ALA 124.A N PHE 131.A O no hydrogen 2.977 N/A ASN 126.A N HIS 263.A O no hydrogen 3.018 N/A ASN 126.A ND2 GLU 261.A O no hydrogen 3.292 N/A LYS 128.A N VAL 125.A O no hydrogen 3.294 N/A PHE 131.A N ALA 124.A O no hydrogen 3.011 N/A ILE 132.A N ASP 253.A OD2 no hydrogen 3.052 N/A ASN 133.A N ASP 253.A OD2 no hydrogen 3.175 N/A ASN 133.A ND2 GLN 187.A O no hydrogen 2.873 N/A THR 135.A N ASN 251.A O no hydrogen 3.156 N/A GLY 136.A N ILE 180.A O no hydrogen 2.862 N/A GLY 137.A N THR 249.A O no hydrogen 3.406 N/A PHE 138.A N LEU 178.A O no hydrogen 3.141 N/A THR 140.A N THR 158.A O no hydrogen 3.359 N/A THR 140.A OG1 THR 158.A OG1 no hydrogen 3.086 N/A ILE 142.A N ARG 156.A O no hydrogen 2.996 N/A THR 143.A OG1 ARG 141.A O no hydrogen 3.402 N/A TYR 150.A N GLY 146.A O no hydrogen 3.208 N/A TYR 150.A N GLY 147.A O no hydrogen 2.490 N/A LEU 151.A N GLY 147.A O no hydrogen 3.284 N/A ILE 152.A N VAL 148.A O no hydrogen 3.230 N/A HIS 153.A N SER 149.A O no hydrogen 3.034 N/A LEU 155.A N TYR 150.A O no hydrogen 2.995 N/A ASP 157.A N THR 140.A O no hydrogen 2.727 N/A THR 158.A OG1 THR 140.A OG1 no hydrogen 3.086 N/A THR 160.A N PHE 138.A O no hydrogen 2.882 N/A ASP 162.A N ALA 177.A O no hydrogen 2.672 N/A ARG 163.A N ASP 162.A OD2 no hydrogen 2.869 N/A ARG 163.A NH1 GLN 174.A OE1 no hydrogen 3.289 N/A CYS 164.A N GLY 175.A O no hydrogen 3.041 N/A GLU 165.A N HIS 243.A O no hydrogen 2.764 N/A ILE 166.A N TRP 173.A O no hydrogen 2.877 N/A ARG 167.A N ASP 241.A O no hydrogen 2.934 N/A GLY 168.A N PHE 171.A O no hydrogen 2.694 N/A GLU 169.A N SER 237.A OG no hydrogen 3.034 N/A PHE 171.A N GLY 168.A O no hydrogen 3.282 N/A HIS 172.A NE2 GLU 165.A OE1 no hydrogen 2.765 N/A TRP 173.A N ILE 166.A O no hydrogen 3.003 N/A GLY 175.A N CYS 164.A O no hydrogen 3.285 N/A ALA 177.A N ASP 162.A O no hydrogen 2.696 N/A LEU 178.A N PHE 210.A O no hydrogen 2.924 N/A VAL 179.A N PHE 210.A O no hydrogen 3.356 N/A ILE 180.A N GLY 136.A O no hydrogen 2.770 N/A GLY 181.A N ARG 208.A O no hydrogen 2.696 N/A ILE 182.A N ALA 134.A O no hydrogen 2.769 N/A GLY 183.A N GLN 206.A O no hydrogen 2.930 N/A ASN 184.A N ASN 133.A O no hydrogen 2.889 N/A ASN 184.A ND2 ASP 123.A O no hydrogen 2.875 N/A ASN 184.A ND2 ILE 132.A O no hydrogen 2.958 N/A GLY 185.A N ASN 133.A O no hydrogen 2.643 N/A ARG 186.A NH1 ALA 198.A O no hydrogen 2.959 N/A ALA 188.A N GLN 192.A O no hydrogen 3.077 N/A GLY 190.A N ASP 97.A OD2 no hydrogen 3.035 N/A GLY 191.A N ASP 97.A OD1 no hydrogen 3.050 N/A GLN 193.A NE2 GLN 187.A OE1 no hydrogen 3.310 N/A LEU 194.A N ARG 186.A O no hydrogen 3.085 N/A CYS 195.A N ARG 186.A O no hydrogen 3.115 N/A CYS 195.A SG GLY 181.A O no hydrogen 3.821 N/A CYS 195.A SG GLN 206.A O no hydrogen 3.837 N/A ALA 198.A N CYS 195.A O no hydrogen 3.144 N/A ILE 200.A N LEU 281.A O no hydrogen 2.774 N/A GLY 203.A N ASP 123.A OD1 no hydrogen 2.658 N/A LEU 204.A N ASP 202.A OD1 no hydrogen 2.460 N/A LEU 205.A N SER 237.A O no hydrogen 2.508 N/A GLN 206.A N GLY 183.A O no hydrogen 3.145 N/A LEU 207.A N GLY 235.A O no hydrogen 2.694 N/A ARG 208.A N GLY 181.A O no hydrogen 2.684 N/A ARG 208.A NH1 ASP 234.A OD1 no hydrogen 2.943 N/A ARG 208.A NH1 ASP 234.A OD2 no hydrogen 3.260 N/A ILE 209.A N ILE 233.A O no hydrogen 2.832 N/A PHE 210.A N VAL 179.A O no hydrogen 2.865 N/A THR 211.A N ASN 231.A O no hydrogen 2.688 N/A THR 211.A OG1 ASN 231.A O no hydrogen 2.971 N/A THR 211.A OG1 ASN 231.A OD1 no hydrogen 2.906 N/A LEU 219.A N LEU 215.A O no hydrogen 3.271 N/A PHE 220.A N PRO 217.A O no hydrogen 2.980 N/A SER 221.A N ALA 218.A O no hydrogen 3.243 N/A SER 221.A OG PRO 217.A O no hydrogen 3.427 N/A SER 221.A OG ALA 218.A O no hydrogen 3.478 N/A THR 222.A N GLN 225.A OE1 no hydrogen 2.974 N/A THR 222.A OG1 THR 224.A OG1 no hydrogen 2.911 N/A THR 224.A OG1 THR 222.A OG1 no hydrogen 2.911 N/A GLN 225.A N THR 222.A OG1 no hydrogen 3.190 N/A SER 226.A N THR 222.A O no hydrogen 3.154 N/A SER 226.A OG THR 222.A O no hydrogen 3.372 N/A SER 226.A OG LEU 223.A O no hydrogen 2.631 N/A ASP 228.A N THR 224.A O no hydrogen 3.037 N/A ASN 229.A N SER 226.A O no hydrogen 3.091 N/A ASN 231.A N ASN 229.A OD1 no hydrogen 2.903 N/A ILE 232.A N ASN 229.A O no hydrogen 3.058 N/A ILE 233.A N ILE 209.A O no hydrogen 2.934 N/A GLY 235.A N LEU 207.A O no hydrogen 3.044 N/A SER 237.A N LEU 205.A O no hydrogen 3.062 N/A SER 237.A OG TRP 239.A O no hydrogen 2.538 N/A ALA 238.A N GLU 169.A OE1 no hydrogen 3.313 N/A TRP 239.A N SER 237.A OG no hydrogen 3.052 N/A PHE 240.A N ILE 264.A O no hydrogen 2.883 N/A ASP 241.A N ARG 167.A O no hydrogen 2.935 N/A ILE 242.A N PHE 262.A O no hydrogen 2.718 N/A HIS 243.A N GLU 165.A O no hydrogen 2.862 N/A HIS 243.A ND1 GLU 261.A OE2 no hydrogen 2.460 N/A ALA 244.A N GLN 260.A O no hydrogen 2.851 N/A ILE 248.A N GLY 259.A O no hydrogen 2.963 N/A THR 249.A OG1 GLY 137.A O no hydrogen 3.455 N/A PHE 250.A N LEU 257.A O no hydrogen 3.253 N/A ASN 251.A N THR 135.A O no hydrogen 2.751 N/A ASN 251.A ND2 GLY 254.A O no hydrogen 3.147 N/A LEU 252.A N GLU 255.A O no hydrogen 2.971 N/A GLY 254.A N ASN 251.A OD1 no hydrogen 2.946 N/A LEU 257.A N PHE 250.A O no hydrogen 3.229 N/A GLY 259.A N ILE 248.A O no hydrogen 3.347 N/A PHE 262.A N ILE 242.A O no hydrogen 2.824 N/A HIS 263.A N ASN 126.A OD1 no hydrogen 2.908 N/A HIS 263.A ND1 ASP 241.A OD1 no hydrogen 2.694 N/A HIS 263.A NE2 GLU 265.A OE1 no hydrogen 2.800 N/A ILE 264.A N PHE 240.A O no hydrogen 2.875 N/A VAL 266.A N ALA 238.A O no hydrogen 2.938 N/A GLY 269.A N ASP 123.A OD2 no hydrogen 2.837 N/A ALA 270.A N LEU 267.A O no hydrogen 3.084 N/A LEU 271.A N ILE 122.A O no hydrogen 3.473 N/A CYS 273.A SG LEU 87.A O no hydrogen 3.617 N/A CYS 273.A SG ARG 274.A O no hydrogen 3.571 N/A ARG 274.A N LEU 87.A O no hydrogen 2.792 N/A ARG 274.A NE THR 59.A OG1 no hydrogen 2.856 N/A ARG 274.A NH1 GLY 118.A O no hydrogen 3.011 N/A ARG 274.A NH2 GLU 58.A O no hydrogen 3.468 N/A ARG 274.A NH2 THR 59.A OG1 no hydrogen 3.147 N/A LEU 275.A N ASN 119.A O no hydrogen 3.083 N/A CYS 279.A SG ALA 102.A O no hydrogen 3.276 N/A LEU 282.A N CYS 279.A O no hydrogen 2.960 N/A ARG 283.A N ASN 201.A OD1 no hydrogen 2.867 N/A