Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9key_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A N PRO 3.A O no hydrogen 3.338 N/A GLU 7.A N PHE 20.A O no hydrogen 2.816 N/A ALA 9.A N TYR 18.A O no hydrogen 2.941 N/A SER 11.A N ARG 16.A O no hydrogen 3.043 N/A SER 11.A OG SER 14.A OG no hydrogen 3.070 N/A SER 14.A N SER 11.A OG no hydrogen 3.261 N/A SER 14.A OG SER 11.A OG no hydrogen 3.070 N/A GLY 15.A N SER 11.A O no hydrogen 2.989 N/A TYR 18.A N ALA 9.A O no hydrogen 2.831 N/A TYR 19.A N GLN 28.A O no hydrogen 2.868 N/A PHE 20.A N GLU 7.A O no hydrogen 3.084 N/A ASN 21.A N ALA 26.A O no hydrogen 2.929 N/A ASN 21.A ND2 PRO 4.A O no hydrogen 3.060 N/A HIS 22.A N GLY 5.A O no hydrogen 3.025 N/A ILE 23.A N ASN 21.A OD1 no hydrogen 2.829 N/A THR 24.A N ASN 21.A OD1 no hydrogen 3.048 N/A ASN 25.A N ASN 21.A O no hydrogen 2.615 N/A ASN 25.A ND2 PRO 133.A O no hydrogen 2.767 N/A ALA 26.A N THR 24.A OG1 no hydrogen 3.276 N/A GLN 28.A N TYR 19.A O no hydrogen 3.084 N/A GLN 28.A NE2 GLU 30.A O no hydrogen 2.726 N/A VAL 39.A N PHE 109.A O no hydrogen 3.165 N/A ARG 40.A N GLU 147.A O no hydrogen 2.969 N/A ARG 40.A NE ASP 105.A OD1 no hydrogen 3.050 N/A ARG 40.A NH1 GLU 147.A OE2 no hydrogen 3.329 N/A ARG 40.A NH2 ASP 105.A OD2 no hydrogen 2.696 N/A SER 42.A N LEU 144.A O no hydrogen 2.751 N/A HIS 43.A N GLY 104.A O no hydrogen 2.898 N/A HIS 43.A ND1 HIS 141.A ND1 no hydrogen 3.017 N/A LEU 44.A N ILE 142.A O no hydrogen 2.894 N/A LEU 45.A N SER 95.A OG no hydrogen 2.948 N/A VAL 46.A N ILE 140.A O no hydrogen 2.893 N/A LYS 47.A N ASP 96.A OD2 no hydrogen 2.958 N/A LYS 47.A NZ ARG 53.A O no hydrogen 3.102 N/A LYS 47.A NZ SER 55.A O no hydrogen 2.947 N/A HIS 48.A N SER 51.A OG no hydrogen 3.023 N/A SER 49.A N ARG 64.A O no hydrogen 2.764 N/A GLN 50.A N HIS 48.A ND1 no hydrogen 3.173 N/A SER 51.A N HIS 48.A O no hydrogen 2.850 N/A SER 51.A OG HIS 48.A O no hydrogen 3.193 N/A SER 51.A OG SER 138.A O no hydrogen 2.397 N/A ARG 52.A N ASP 137.A O no hydrogen 2.752 N/A SER 55.A N ARG 53.A O no hydrogen 2.732 N/A SER 56.A N GLN 59.A O no hydrogen 2.963 N/A SER 56.A OG ASP 96.A OD1 no hydrogen 2.624 N/A TRP 57.A NE1 CYS 97.A O no hydrogen 3.136 N/A ARG 58.A N SER 56.A OG no hydrogen 3.148 N/A GLN 59.A N SER 56.A O no hydrogen 3.012 N/A ILE 62.A N PRO 54.A O no hydrogen 2.907 N/A ARG 64.A NH1 LYS 47.A O no hydrogen 3.050 N/A ARG 64.A NH1 ASP 96.A OD2 no hydrogen 3.215 N/A THR 65.A N GLU 68.A OE1 no hydrogen 2.948 N/A GLU 68.A N THR 65.A OG1 no hydrogen 2.885 N/A ALA 69.A N THR 65.A O no hydrogen 2.798 N/A LEU 70.A N LYS 66.A O no hydrogen 2.829 N/A GLU 71.A N GLU 67.A O no hydrogen 3.066 N/A LEU 72.A N GLU 68.A O no hydrogen 3.084 N/A ILE 73.A N ALA 69.A O no hydrogen 2.984 N/A ASN 74.A N LEU 70.A O no hydrogen 2.856 N/A GLY 75.A N GLU 71.A O no hydrogen 2.965 N/A TYR 76.A N LEU 72.A O no hydrogen 3.048 N/A ILE 77.A N ILE 73.A O no hydrogen 2.972 N/A GLN 78.A N ASN 74.A O no hydrogen 2.986 N/A LYS 79.A N GLY 75.A O no hydrogen 3.067 N/A ILE 80.A N TYR 76.A O no hydrogen 2.819 N/A LYS 81.A N ILE 77.A O no hydrogen 2.878 N/A LYS 81.A NZ SER 27.A O no hydrogen 2.990 N/A SER 82.A N GLN 78.A O no hydrogen 2.821 N/A SER 82.A OG GLN 78.A O no hydrogen 3.020 N/A SER 82.A OG LYS 79.A O no hydrogen 2.913 N/A SER 82.A OG GLU 84.A OE2 no hydrogen 2.725 N/A GLY 83.A N ILE 80.A O no hydrogen 3.287 N/A GLU 84.A N SER 82.A OG no hydrogen 3.372 N/A GLU 85.A N LYS 79.A O no hydrogen 3.277 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.401 N/A LEU 90.A N ASP 86.A O no hydrogen 3.166 N/A ALA 91.A N PHE 87.A O no hydrogen 2.884 N/A SER 92.A N GLU 88.A O no hydrogen 2.923 N/A SER 92.A OG GLU 88.A O no hydrogen 2.588 N/A GLN 93.A N SER 89.A O no hydrogen 3.267 N/A GLN 93.A N LEU 90.A O no hydrogen 3.237 N/A GLN 93.A NE2 SER 89.A O no hydrogen 3.110 N/A GLN 93.A NE2 SER 89.A OG no hydrogen 3.166 N/A PHE 94.A N LEU 90.A O no hydrogen 2.878 N/A PHE 94.A N ALA 91.A O no hydrogen 3.278 N/A SER 95.A N ALA 91.A O no hydrogen 3.008 N/A ASP 96.A N LEU 45.A O no hydrogen 2.691 N/A CYS 97.A N SER 95.A OG no hydrogen 3.267 N/A CYS 97.A SG HIS 43.A NE2 no hydrogen 3.340 N/A CYS 97.A SG SER 99.A OG no hydrogen 3.059 N/A ALA 100.A N CYS 97.A O no hydrogen 3.070 N/A LYS 101.A N SER 98.A O no hydrogen 3.385 N/A ALA 102.A N SER 99.A O no hydrogen 3.091 N/A ARG 103.A N ALA 100.A O no hydrogen 3.136 N/A GLY 104.A N SER 99.A O no hydrogen 2.797 N/A ASP 105.A N ALA 102.A O no hydrogen 3.024 N/A LEU 106.A N CYS 41.A O no hydrogen 3.111 N/A GLY 107.A N ASP 105.A OD1 no hydrogen 3.116 N/A PHE 109.A N VAL 39.A O no hydrogen 2.903 N/A SER 110.A N GLN 113.A OE1 no hydrogen 3.136 N/A SER 110.A OG ALA 37.A O no hydrogen 3.102 N/A ARG 111.A NE GLU 35.A OE2 no hydrogen 2.682 N/A ARG 111.A NH1 GLU 119.A OE2 no hydrogen 3.037 N/A ARG 111.A NH1 ASP 120.A OD1 no hydrogen 3.006 N/A ARG 111.A NH2 GLU 35.A OE1 no hydrogen 3.228 N/A ARG 111.A NH2 GLU 35.A OE2 no hydrogen 3.509 N/A GLY 112.A N GLU 119.A OE1 no hydrogen 2.715 N/A GLN 115.A NE2 SER 138.A OG no hydrogen 3.190 N/A LYS 116.A NZ ASP 120.A OD1 no hydrogen 2.510 N/A LYS 116.A NZ ASP 120.A OD2 no hydrogen 3.443 N/A GLU 119.A N GLN 115.A O no hydrogen 2.799 N/A ASP 120.A N LYS 116.A O no hydrogen 2.718 N/A ALA 121.A N PRO 117.A O no hydrogen 3.024 N/A SER 122.A N PHE 118.A O no hydrogen 2.881 N/A SER 122.A OG PHE 118.A O no hydrogen 2.781 N/A PHE 123.A N GLU 119.A O no hydrogen 2.982 N/A ALA 124.A N ASP 120.A O no hydrogen 2.929 N/A ALA 124.A N ALA 121.A O no hydrogen 3.063 N/A LEU 125.A N ALA 121.A O no hydrogen 2.946 N/A ARG 126.A N GLU 129.A OE1 no hydrogen 2.392 N/A ARG 126.A NH2 PHE 123.A O no hydrogen 3.462 N/A THR 127.A OG1 GLU 147.A OXT no hydrogen 3.567 N/A GLY 128.A N ARG 145.A O no hydrogen 2.967 N/A GLU 129.A N ARG 126.A O no hydrogen 3.057 N/A SER 131.A N ILE 143.A O no hydrogen 2.926 N/A SER 131.A OG GLY 132.A O no hydrogen 2.767 N/A SER 131.A OG ILE 143.A O no hydrogen 3.464 N/A GLY 132.A N THR 24.A O no hydrogen 2.978 N/A VAL 134.A N HIS 141.A O no hydrogen 3.016 N/A THR 136.A N GLY 139.A O no hydrogen 2.890 N/A THR 136.A OG1 HIS 141.A NE2 no hydrogen 2.565 N/A SER 138.A N THR 136.A OG1 no hydrogen 3.002 N/A SER 138.A OG GLN 115.A OE1 no hydrogen 3.516 N/A GLY 139.A N THR 136.A O no hydrogen 3.103 N/A GLY 139.A N THR 136.A OG1 no hydrogen 3.398 N/A ILE 140.A N VAL 46.A O no hydrogen 3.106 N/A HIS 141.A N VAL 134.A O no hydrogen 2.767 N/A HIS 141.A ND1 HIS 43.A ND1 no hydrogen 3.017 N/A HIS 141.A NE2 THR 136.A OG1 no hydrogen 2.565 N/A ILE 142.A N LEU 44.A O no hydrogen 2.860 N/A ILE 143.A N SER 131.A OG no hydrogen 2.870 N/A LEU 144.A N SER 42.A O no hydrogen 2.865 N/A ARG 145.A N GLU 129.A O no hydrogen 3.294 N/A ARG 145.A NE GLU 147.A O no hydrogen 2.893 N/A ARG 145.A NH1 LEU 125.A O no hydrogen 2.819 N/A ARG 145.A NH2 GLU 147.A O no hydrogen 3.548 N/A ARG 145.A NH2 GLU 147.A OXT no hydrogen 3.174 N/A THR 146.A N ARG 40.A O no hydrogen 2.538 N/A THR 146.A OG1 ARG 40.A O no hydrogen 2.995 N/A GLU 147.A N ARG 40.A O no hydrogen 3.109 N/A