A0A077ZGZ3_TRITR Loading...

DUF1507 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGZ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 100 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.5Low84.8Confident239 Ų239112.8 Ų112.8100%1.17758%0.58SS**  0121.30-158.2173.2-78.500105.5
2E76.5Confident85.7Confident190 Ų190107.8 Ų107.889%0.88856%0.558SS**PPolyproline II helixtrans-64.2141.3-179.5-73.2177.8157.300110I4E2-I4 PolarHBondContact O-N 3.11Å
3N80.1Confident86.5Confident165 Ų165100.2 Ų100.288%0.88252%0.519SS*.PPolyproline II helixtrans-70.3126.6174.5-73.3-36.1000108.9S5N3-S5 PolarHBondContact O-N 3.46Å
4I81.9Confident87.2Confident116 Ų116100.9 Ų100.960%0.59552%0.518SS*.PPolyproline II helixtrans-71.2124.2171.6-66.5168.7000108.1E2 F8 A9E2-I4 PolarHBondContact O-N 3.11Å; I4-F8 HydrophobicContact CG2-CD1 4.1Å; I4-A9 HydrophobicContact CG2-CB 3.94Å
5S88.2Confident87.8Confident62 Ų6299 Ų9943%0.43451%0.506SS..PPolyproline II helixtrans-74.8147.3171.768.10000110.5N3 D7 F8 A9N3-S5 PolarHBondContact O-N 3.46Å; S5-D7 PolarHBondContact O-N 3.14Å; S5-F8 PolarHBondContact O-N 3.35Å; S5-F8 VanDerWaalsContact OG-CB 3.29Å; S5-F8 WeakPolarHBondContact OG-CB 3.42Å; S5-F8 PolarHBondContact OG-N 3.4Å; S5-A9 PolarHBondContact O-N 3.09Å; S5-A9 VanDerWaalsContact O-N 3.09Å
6S89.5Confident88.3Confident56 Ų5695.1 Ų95.139%0.39249%0.487SS..Hα-helixtrans-56-40.2175.1-58.90000111.6F8 A9 I10S6-F8 PolarHBondContact O-N 3.45Å; S6-A9 PolarHBondContact O-N 3.05Å; S6-I10 WeakPolarHBondContact O-CB 3.42Å; S6-I10 VanDerWaalsContact O-CG1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.42Å; S6-I10 PolarHBondContact O-N 3.14Å
7D91.7Very high88.8Confident128 Ų12890.2 Ų90.268%0.68446%0.464SS*.Hα-helixtrans-62.5-41.8179-62.3-17.5000112.4S5 I10 K11S5-D7 PolarHBondContact O-N 3.14Å; D7-I10 PolarHBondContact O-N 2.9Å; D7-K11 WeakPolarHBondContact O-CB 3.46Å; D7-K11 PolarHBondContact O-N 3.37Å
8F92.5Very high89.1Confident118 Ų11889.5 Ų89.552%0.51846%0.461SS..Hα-helixtrans-64.9-44.1176.7178-100.3000111I4 S5 S6 I10 K11 V12I4-F8 HydrophobicContact CG2-CD1 4.1Å; S5-F8 PolarHBondContact O-N 3.35Å; S5-F8 VanDerWaalsContact OG-CB 3.29Å; S5-F8 WeakPolarHBondContact OG-CB 3.42Å; S5-F8 PolarHBondContact OG-N 3.4Å; S6-F8 PolarHBondContact O-N 3.45Å; F8-I10 PolarHBondContact O-N 3Å; F8-K11 WeakPolarHBondContact O-CB 3.45Å; F8-K11 PolarHBondContact O-N 3.43Å; F8-V12 HydrophobicContact CD1-CG2 4.31Å; F8-V12 HydrophobicContact CE1-CG2 3.88Å; F8-V12 HydrophobicContact CE2-CG2 4.38Å; F8-V12 HydrophobicContact CZ-CG2 3.92Å; F8-V12 WeakPolarHBondContact O-CG2 3.29Å; F8-V12 PolarHBondContact O-N 3.46Å
9A91.9Very high89.3Confident13 Ų1391.4 Ų91.411%0.10746%0.462CS..Hα-helixtrans-64.9-39.8178.400000112.7I4 S5 S6 K11 V12 L13 I62I4-A9 HydrophobicContact CG2-CB 3.94Å; S5-A9 PolarHBondContact O-N 3.09Å; S5-A9 VanDerWaalsContact O-N 3.09Å; S6-A9 PolarHBondContact O-N 3.05Å; A9-K11 VanDerWaalsContact C-N 3.33Å; A9-V12 PolarHBondContact O-N 2.97Å; A9-L13 WeakPolarHBondContact O-CG 3.44Å; A9-L13 PolarHBondContact O-N 2.93Å; A9-I62 HydrophobicContact CB-CD1 3.78Å; A9-I62 HydrophobicContact CB-CG1 4.31Å; A9-I62 HydrophobicContact CB-CG2 3.48Å; A9-I62 VanDerWaalsContact CB-CG2 3.48Å
10I93.2Very high89.5Confident38 Ų3887.2 Ų87.220%0.19544%0.441CS..Hα-helixtrans-61.7-43.2173.8-70.8164.3000110.5S6 D7 F8 V12 L13 Q14 L63S6-I10 WeakPolarHBondContact O-CB 3.42Å; S6-I10 VanDerWaalsContact O-CG1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.42Å; S6-I10 PolarHBondContact O-N 3.14Å; D7-I10 PolarHBondContact O-N 2.9Å; F8-I10 PolarHBondContact O-N 3Å; I10-V12 VanDerWaalsContact C-N 3.33Å; I10-V12 PolarHBondContact O-N 3.19Å; I10-L13 PolarHBondContact O-N 3.13Å; I10-Q14 WeakPolarHBondContact O-CG 3.43Å; I10-Q14 PolarHBondContact O-N 2.97Å; I10-L63 HydrophobicContact CD1-CD2 4.21Å; I10-L63 HydrophobicContact CG1-CD2 3.62Å
11K95.2Very high89.4Confident116 Ų11684.1 Ų84.150%0.50442%0.424SS..Hα-helixtrans-59.7-43.5176.2-176.7-178.2174.8-172.90111.8D7 F8 A9 L13 Q14 E15D7-K11 WeakPolarHBondContact O-CB 3.46Å; D7-K11 PolarHBondContact O-N 3.37Å; F8-K11 WeakPolarHBondContact O-CB 3.45Å; F8-K11 PolarHBondContact O-N 3.43Å; A9-K11 VanDerWaalsContact C-N 3.33Å; K11-L13 PolarHBondContact O-N 2.75Å; K11-Q14 WeakPolarHBondContact O-CB 3.44Å; K11-Q14 PolarHBondContact O-N 3.2Å; K11-E15 VanDerWaalsContact CE-OE1 3.27Å; K11-E15 WeakPolarHBondContact CE-OE1 3.41Å; K11-E15 WeakPolarHBondContact O-CG 3.4Å; K11-E15 PolarHBondContact O-N 3.19Å
12V95.6Very high91.1Very high52 Ų5276.5 Ų76.532%0.31539%0.388SS..Hα-helixtrans-61.9-43.2177.1172.70000111.3F8 A9 I10 Q14 E15 D16F8-V12 HydrophobicContact CD1-CG2 4.31Å; F8-V12 HydrophobicContact CE1-CG2 3.88Å; F8-V12 HydrophobicContact CE2-CG2 4.38Å; F8-V12 HydrophobicContact CZ-CG2 3.92Å; F8-V12 WeakPolarHBondContact O-CG2 3.29Å; F8-V12 PolarHBondContact O-N 3.46Å; A9-V12 PolarHBondContact O-N 2.97Å; I10-V12 VanDerWaalsContact C-N 3.33Å; I10-V12 PolarHBondContact O-N 3.19Å; V12-Q14 VanDerWaalsContact C-N 3.32Å; V12-Q14 PolarHBondContact O-N 2.95Å; V12-E15 PolarHBondContact O-N 3.32Å; V12-D16 PolarHBondContact O-N 3.01Å
13L96.4Very high91.5Very high10 Ų1070.3 Ų70.35%0.05236%0.361CS..Hα-helixtrans-61.2-40.6175.3-71.2169.8000111.9A9 I10 K11 D16 A17 F50 Q53 V54 A57 L63 M71A9-L13 WeakPolarHBondContact O-CG 3.44Å; A9-L13 PolarHBondContact O-N 2.93Å; I10-L13 PolarHBondContact O-N 3.13Å; K11-L13 PolarHBondContact O-N 2.75Å; L13-D16 PolarHBondContact O-N 3.14Å; L13-A17 PolarHBondContact O-N 3.43Å; L13-F50 HydrophobicContact CB-CE2 4.22Å; L13-F50 HydrophobicContact CD2-CE2 4.09Å; L13-F50 VanDerWaalsContact O-CE2 3.25Å; L13-F50 WeakPolarHBondContact O-CE2 3.47Å; L13-Q53 HydrophobicContact CD2-CB 3.85Å; L13-V54 HydrophobicContact CD2-CG2 4.24Å; L13-A57 HydrophobicContact CD1-CB 3.95Å; L13-L63 HydrophobicContact CD1-CD1 3.89Å; L13-L63 HydrophobicContact CD1-CD2 4.21Å; L13-L63 HydrophobicContact CD1-CG 4.29Å; L13-M71 HydrophobicContact CB-SD 4.39Å; L13-M71 HydrophobicContact CD1-SD 4.4Å
14Q95.6Very high91.4Very high109 Ų10962.5 Ų62.551%0.50932%0.319SS..Hα-helixtrans-63.5-42.7175.7-72.1171.8-14.500111.9I10 K11 V12 D16 A17 D18I10-Q14 WeakPolarHBondContact O-CG 3.43Å; I10-Q14 PolarHBondContact O-N 2.97Å; K11-Q14 WeakPolarHBondContact O-CB 3.44Å; K11-Q14 PolarHBondContact O-N 3.2Å; V12-Q14 VanDerWaalsContact C-N 3.32Å; V12-Q14 PolarHBondContact O-N 2.95Å; Q14-D16 VanDerWaalsContact C-N 3.32Å; Q14-D16 PolarHBondContact O-N 3.47Å; Q14-A17 PolarHBondContact O-N 3.26Å; Q14-D18 PolarHBondContact O-N 3.2Å
15E96.3Very high91.3Very high73 Ų7364 Ų6434%0.34132%0.317SS..Hα-helixtrans-62.6-38.6175.6-70.7177.5-170.100112.2K11 V12 D18 R19K11-E15 VanDerWaalsContact CE-OE1 3.27Å; K11-E15 WeakPolarHBondContact CE-OE1 3.41Å; K11-E15 WeakPolarHBondContact O-CG 3.4Å; K11-E15 PolarHBondContact O-N 3.19Å; V12-E15 PolarHBondContact O-N 3.32Å; E15-D18 PolarHBondContact O-N 3.21Å; E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 3.06Å; E15-R19 IonicContact OE2-NH2 3.76Å; E15-R19 PolarHBondContact OE2-NH2 2.9Å
16D95.8Very high90.7Very high36 Ų3666.1 Ų66.119%0.19332%0.324CS..Hα-helixtrans-65.1-44.1174.3-84.7-13.4000111.6V12 L13 Q14 D18 R19 I20 F50 Q53V12-D16 PolarHBondContact O-N 3.01Å; L13-D16 PolarHBondContact O-N 3.14Å; Q14-D16 VanDerWaalsContact C-N 3.32Å; Q14-D16 PolarHBondContact O-N 3.47Å; D16-D18 VanDerWaalsContact C-N 3.31Å; D16-D18 PolarHBondContact O-N 3.04Å; D16-R19 WeakPolarHBondContact O-CB 3.43Å; D16-R19 PolarHBondContact O-N 3.29Å; D16-R19 IonicContact OD1-CZ 3.35Å; D16-R19 IonicContact OD1-NH1 2.74Å; D16-R19 PolarHBondContact OD1-NH1 3.09Å; D16-I20 WeakPolarHBondContact O-CG1 3.29Å; D16-I20 PolarHBondContact O-N 3.43Å; D16-F50 HydrophobicContact CB-CD2 4.24Å; D16-F50 HydrophobicContact CB-CE2 4.48Å; D16-Q53 PolarHBondContact OD2-NE2 3.44Å; D16-Q53 PolarHBondContact OD2-OE1 3.22Å
17A96.1Very high89.6Confident13 Ų1366.2 Ų66.211%0.10732%0.318CS..Hα-helixtrans-59.1-41.4173.500000112.2L13 Q14 R19 I20 K21 F50 L75L13-A17 PolarHBondContact O-N 3.43Å; Q14-A17 PolarHBondContact O-N 3.26Å; A17-R19 PolarHBondContact O-N 3.19Å; A17-I20 PolarHBondContact O-N 3.21Å; A17-K21 PolarHBondContact O-N 3.3Å; A17-F50 HydrophobicContact CB-CE1 4.41Å; A17-F50 HydrophobicContact CB-CE2 4.14Å; A17-F50 HydrophobicContact CB-CZ 3.92Å; A17-L75 HydrophobicContact CB-CD1 4.25Å; A17-L75 HydrophobicContact CB-CD2 3.92Å
18D94.5Very high88.1Confident77 Ų7765.8 Ų65.841%0.41232%0.32SS..Hα-helixtrans-64.6-37176.8-75.5-23.7000112.7Q14 E15 D16 I20 K21 L22Q14-D18 PolarHBondContact O-N 3.2Å; E15-D18 PolarHBondContact O-N 3.21Å; D16-D18 VanDerWaalsContact C-N 3.31Å; D16-D18 PolarHBondContact O-N 3.04Å; D18-I20 VanDerWaalsContact C-N 3.31Å; D18-I20 PolarHBondContact O-N 2.93Å; D18-K21 PolarHBondContact O-N 2.85Å; D18-K21 WeakPolarHBondContact OD1-CE 3.49Å; D18-K21 IonicContact OD1-NZ 3.9Å; D18-K21 PolarHBondContact OD1-NZ 2.66Å; D18-L22 WeakPolarHBondContact O-CG 3.46Å; D18-L22 PolarHBondContact O-N 3.06Å
19R93.7Very high86.5Confident126 Ų12665.7 Ų65.748%0.47533%0.325SS..Hα-helixtrans-61.2-39.9174-72.5171.7-169110.513.1111.8E15 D16 A17 K21 L22 L23E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 3.06Å; E15-R19 IonicContact OE2-NH2 3.76Å; E15-R19 PolarHBondContact OE2-NH2 2.9Å; D16-R19 WeakPolarHBondContact O-CB 3.43Å; D16-R19 PolarHBondContact O-N 3.29Å; D16-R19 IonicContact OD1-CZ 3.35Å; D16-R19 IonicContact OD1-NH1 2.74Å; D16-R19 PolarHBondContact OD1-NH1 3.09Å; A17-R19 PolarHBondContact O-N 3.19Å; R19-K21 VanDerWaalsContact C-N 3.33Å; R19-K21 PolarHBondContact O-N 3.13Å; R19-L22 PolarHBondContact O-N 3.18Å; R19-L23 PolarHBondContact O-N 3.4Å
20I92.6Very high84.7Confident6 Ų668 Ų683%0.03134%0.34CS..Hα-helixtrans-62.9-42.8177.1-60177.1000110.3D16 A17 D18 L22 L23 V43 Q46 M47 F50 L75 L79D16-I20 WeakPolarHBondContact O-CG1 3.29Å; D16-I20 PolarHBondContact O-N 3.43Å; A17-I20 PolarHBondContact O-N 3.21Å; D18-I20 VanDerWaalsContact C-N 3.31Å; D18-I20 PolarHBondContact O-N 2.93Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.41Å; I20-L23 VanDerWaalsContact O-CB 3.3Å; I20-L23 WeakPolarHBondContact O-CB 3.47Å; I20-L23 PolarHBondContact O-N 3.38Å; I20-L23 VanDerWaalsContact O-N 3.17Å; I20-V43 HydrophobicContact CG2-CG1 4.34Å; I20-Q46 HydrophobicContact CD1-CB 3.98Å; I20-Q46 HydrophobicContact CG1-CB 3.92Å; I20-Q46 HydrophobicContact CG2-CB 4.32Å; I20-M47 HydrophobicContact CD1-SD 4.43Å; I20-M47 HydrophobicContact CG2-SD 4.38Å; I20-F50 HydrophobicContact CD1-CB 3.71Å; I20-F50 HydrophobicContact CD1-CG 4.21Å; I20-L75 HydrophobicContact CD1-CD2 4.04Å; I20-L79 HydrophobicContact CG2-CD1 4.01Å; I20-L79 HydrophobicContact CG2-CD2 3.98Å
21K88.9Confident82.9Confident23 Ų2373.7 Ų73.710%0.137%0.37CS..Hα-helixtrans-64.5-36.7176.9-65.5-178.3-64.8-1700112.9A17 D18 R19 L23 I24 R25 L75 E78 L79 L82A17-K21 PolarHBondContact O-N 3.3Å; D18-K21 PolarHBondContact O-N 2.85Å; D18-K21 WeakPolarHBondContact OD1-CE 3.49Å; D18-K21 IonicContact OD1-NZ 3.9Å; D18-K21 PolarHBondContact OD1-NZ 2.66Å; R19-K21 VanDerWaalsContact C-N 3.33Å; R19-K21 PolarHBondContact O-N 3.13Å; K21-L23 PolarHBondContact O-N 3.23Å; K21-I24 PolarHBondContact O-N 3.03Å; K21-R25 PolarHBondContact O-N 3.47Å; K21-R25 VanDerWaalsContact O-N 3.1Å; K21-L75 HydrophobicContact CD-CD1 3.9Å; K21-L75 HydrophobicContact CG-CD1 3.58Å; K21-E78 HydrophobicContact CD-CB 4.07Å; K21-E78 WeakPolarHBondContact CD-OE2 3.48Å; K21-E78 WeakPolarHBondContact CE-OE2 2.85Å; K21-E78 IonicContact NZ-OE1 3.72Å; K21-E78 IonicContact NZ-OE2 2.62Å; K21-E78 PolarHBondContact NZ-OE2 2.87Å; K21-L79 HydrophobicContact CG-CD2 4.07Å; K21-L82 HydrophobicContact CB-CD1 4.29Å
22L87.5Confident81.1Confident80 Ų8070.4 Ų70.442%0.41936%0.361SS..Hα-helixtrans-63.9-28.9176.2-73.8168.4000112.4D18 R19 I20 I24 R25 N26D18-L22 WeakPolarHBondContact O-CG 3.46Å; D18-L22 PolarHBondContact O-N 3.06Å; R19-L22 PolarHBondContact O-N 3.18Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.41Å; L22-I24 VanDerWaalsContact C-N 3.26Å; L22-I24 PolarHBondContact O-N 3.34Å; L22-R25 PolarHBondContact O-N 3.12Å; L22-N26 WeakPolarHBondContact O-CB 3.26Å; L22-N26 PolarHBondContact O-N 3.2Å; L22-N26 PolarHBondContact O-ND2 2.77Å
23L83.8Confident78.9Confident60 Ų6074.9 Ų74.931%0.31438%0.382SS..Hα-helixtrans-58-42.8173.9-65.8174.5000111R19 I20 K21 Q27 F39 V42 Q46R19-L23 PolarHBondContact O-N 3.4Å; I20-L23 VanDerWaalsContact O-CB 3.3Å; I20-L23 WeakPolarHBondContact O-CB 3.47Å; I20-L23 PolarHBondContact O-N 3.38Å; I20-L23 VanDerWaalsContact O-N 3.17Å; K21-L23 PolarHBondContact O-N 3.23Å; L23-Q27 PolarHBondContact O-NE2 3.36Å; L23-F39 HydrophobicContact CB-CE2 3.81Å; L23-F39 HydrophobicContact CB-CZ 3.84Å; L23-F39 WeakPolarHBondContact O-CE2 3.41Å; L23-F39 WeakPolarHBondContact O-CZ 3.46Å; L23-V42 HydrophobicContact CD1-CG1 4.46Å; L23-Q46 HydrophobicContact CD1-CG 3.82Å
24I79.4Confident76.9Confident1 Ų178.7 Ų78.71%0.00541%0.41CS..Hα-helixtrans-73.1-47.5-179.7-51-165.4000110K21 L22 N26 Q27 F39 V43 L79 L82 Y83 L86K21-I24 PolarHBondContact O-N 3.03Å; L22-I24 VanDerWaalsContact C-N 3.26Å; L22-I24 PolarHBondContact O-N 3.34Å; I24-N26 VanDerWaalsContact C-N 3.27Å; I24-N26 PolarHBondContact O-N 2.99Å; I24-Q27 WeakPolarHBondContact O-CB 3.49Å; I24-Q27 PolarHBondContact O-N 3.4Å; I24-Q27 VanDerWaalsContact O-N 3.11Å; I24-F39 VanDerWaalsContact CA-CZ 3.48Å; I24-F39 HydrophobicContact CB-CE1 4.25Å; I24-F39 HydrophobicContact CB-CZ 4.19Å; I24-F39 HydrophobicContact CG1-CE1 3.81Å; I24-F39 HydrophobicContact CG1-CZ 3.82Å; I24-F39 HydrophobicContact CG2-CE1 4.45Å; I24-V43 HydrophobicContact CD1-CG1 4.4Å; I24-V43 HydrophobicContact CD1-CG2 4.5Å; I24-V43 HydrophobicContact CG1-CG2 4.08Å; I24-L79 HydrophobicContact CD1-CB 3.91Å; I24-L79 HydrophobicContact CD1-CD2 3.37Å; I24-L79 HydrophobicContact CD1-CG 4.17Å; I24-L79 HydrophobicContact CG1-CD2 3.98Å; I24-L82 HydrophobicContact CB-CB 4.26Å; I24-L82 HydrophobicContact CB-CD1 4.17Å; I24-L82 HydrophobicContact CD1-CB 4.29Å; I24-L82 HydrophobicContact CG2-CB 3.66Å; I24-L82 HydrophobicContact CG2-CD1 4.47Å; I24-Y83 HydrophobicContact CD1-CD2 4.02Å; I24-Y83 HydrophobicContact CD1-CE1 4.22Å; I24-Y83 HydrophobicContact CD1-CE2 3.61Å; I24-Y83 HydrophobicContact CD1-CG 4.48Å; I24-L86 HydrophobicContact CG2-CD1 3.47Å; I24-L86 VanDerWaalsContact CG2-CD1 3.47Å
25R78.6Confident75.2Confident146 Ų14677.6 Ų77.655%0.55141%0.405SS*.Hα-helixtrans-62.9-32-178.4-69.5-179.4178.81701.7113.6K21 L22 Q27 L82K21-R25 PolarHBondContact O-N 3.47Å; K21-R25 VanDerWaalsContact O-N 3.1Å; L22-R25 PolarHBondContact O-N 3.12Å; R25-Q27 PolarHBondContact O-N 2.99Å; R25-L82 HydrophobicContact CG-CD1 4.24Å; R25-L82 HydrophobicContact CG-CD2 3.99Å
26N76.8Confident73.9Confident108 Ų10876 Ų7658%0.57840%0.401SS*.THydrogen-bonded Turntrans-78.8-0.1179.8-68.9-16.9000113.2L22 I24 T28L22-N26 WeakPolarHBondContact O-CB 3.26Å; L22-N26 PolarHBondContact O-N 3.2Å; L22-N26 PolarHBondContact O-ND2 2.77Å; I24-N26 VanDerWaalsContact C-N 3.27Å; I24-N26 PolarHBondContact O-N 2.99Å; N26-T28 PolarHBondContact O-N 3.01Å
27Q66.5Low73.2Confident58 Ų5880.8 Ų80.827%0.27142%0.42SS..  trans-75.265.8169.8-61.2-57.1-41.300110.5L23 I24 R25 N29 F39L23-Q27 PolarHBondContact O-NE2 3.36Å; I24-Q27 WeakPolarHBondContact O-CB 3.49Å; I24-Q27 PolarHBondContact O-N 3.4Å; I24-Q27 VanDerWaalsContact O-N 3.11Å; R25-Q27 PolarHBondContact O-N 2.99Å; Q27-N29 VanDerWaalsContact C-N 3.26Å; Q27-F39 HydrophobicContact CG-CD1 4.41Å; Q27-F39 HydrophobicContact CG-CD2 4.19Å; Q27-F39 HydrophobicContact CG-CE1 4.18Å; Q27-F39 HydrophobicContact CG-CE2 3.95Å; Q27-F39 HydrophobicContact CG-CG 4.43Å; Q27-F39 HydrophobicContact CG-CZ 3.99Å; Q27-F39 VanDerWaalsContact NE2-CD2 3.29Å
28T58.6Low72.5Confident119 Ų11982.6 Ų82.673%0.7344%0.435SS*.  trans-73.3-22.5168.846.80000111.8N26 S30N26-T28 PolarHBondContact O-N 3.01Å; T28-S30 VanDerWaalsContact C-N 3.33Å; T28-S30 PolarHBondContact O-N 2.96Å
29N59.5Low71.9Confident116 Ų11680 Ų8062%0.6242%0.42SS*.  trans-82.878175.9-69.4-30.6000110.2Q27 L31Q27-N29 VanDerWaalsContact C-N 3.26Å; N29-L31 PolarHBondContact O-N 2.62Å
30S55.2Low71.5Confident61 Ų6176.8 Ų76.843%0.42741%0.41SS..THydrogen-bonded Turntrans-59.9-2.9177.855.60000115.5T28 R90T28-S30 VanDerWaalsContact C-N 3.33Å; T28-S30 PolarHBondContact O-N 2.96Å; S30-R90 PolarHBondContact O-NH1 2.99Å
31L54.6Low71.4Confident157 Ų15781.7 Ų81.782%0.82243%0.433SS*.THydrogen-bonded Turntrans-95.52.6-160.6-81.8161.9000117N29N29-L31 PolarHBondContact O-N 2.62Å
32C56.6Low71.4Confident47 Ų4783.9 Ų83.932%0.31845%0.448SS..  trans-122.5102.1175.8-88.30000112.3S34 Q35 C36C32-S34 PolarHBondContact O-N 3.25Å; C32-Q35 HydrophobicContact CB-CB 3.64Å; C32-Q35 HydrophobicContact CB-CG 3.38Å; C32-Q35 WeakPolarHBondContact O-CA 3.44Å; C32-Q35 VanDerWaalsContact O-CB 3.3Å; C32-Q35 WeakPolarHBondContact O-CB 3.47Å; C32-Q35 PolarHBondContact O-N 3.44Å; C32-Q35 PolarHBondContact SG-NE2 3.48Å; C32-C36 PolarHBondContact O-N 2.98Å
33I49.8Very low71.6Confident147 Ų14780.1 Ų80.175%0.75443%0.428SS*.Hα-helixtrans-54.4-35.4170.8-69.3163.1000111.5Q35I33-Q35 VanDerWaalsContact C-N 3.3Å
34S54.7Low72.1Confident90 Ų9082.1 Ų82.163%0.62944%0.439SS*.Hα-helixtrans-69-29.2173.756.10000113C32 A38C32-S34 PolarHBondContact O-N 3.25Å; S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 3.26Å
35Q60.4Low72.8Confident86 Ų8686.4 Ų86.440%0.40247%0.466SS..Hα-helixtrans-71-41.5177.2-72.7173.324.300110C32 I33 K37 A38 F39C32-Q35 HydrophobicContact CB-CB 3.64Å; C32-Q35 HydrophobicContact CB-CG 3.38Å; C32-Q35 WeakPolarHBondContact O-CA 3.44Å; C32-Q35 VanDerWaalsContact O-CB 3.3Å; C32-Q35 WeakPolarHBondContact O-CB 3.47Å; C32-Q35 PolarHBondContact O-N 3.44Å; C32-Q35 PolarHBondContact SG-NE2 3.48Å; I33-Q35 VanDerWaalsContact C-N 3.3Å; Q35-K37 PolarHBondContact O-N 3.43Å; Q35-A38 PolarHBondContact O-N 3.5Å; Q35-F39 WeakPolarHBondContact O-CA 3.43Å; Q35-F39 WeakPolarHBondContact O-CB 3.36Å; Q35-F39 PolarHBondContact O-N 3.02Å
36C69.5Low73.6Confident39 Ų3983.8 Ų83.826%0.26446%0.46SS..Hα-helixtrans-56.5-48.1179.8-70.10000113.3C32 F39 E40C32-C36 PolarHBondContact O-N 2.98Å; C36-F39 CarbonylContact O-C 3.58Å; C36-F39 WeakPolarHBondContact O-CB 3.49Å; C36-F39 PolarHBondContact O-N 3.44Å; C36-E40 WeakPolarHBondContact O-CB 3.39Å; C36-E40 WeakPolarHBondContact O-CG 3.48Å; C36-E40 PolarHBondContact O-N 2.88Å
37K79.3Confident74.6Confident137 Ų13780.2 Ų80.260%0.59644%0.44SS*.Hα-helixtrans-66.9-48.4178.5-176179.6177.1-177.70112.4Q35 F39 E40 E41Q35-K37 PolarHBondContact O-N 3.43Å; K37-F39 PolarHBondContact O-N 3Å; K37-E40 PolarHBondContact O-N 3.25Å; K37-E41 WeakPolarHBondContact O-CG 3.46Å; K37-E41 PolarHBondContact O-N 3.31Å
38A82.3Confident76.1Confident50 Ų5084.6 Ų84.641%0.41346%0.455SS..Hα-helixtrans-62.1-29.7176.800000111.5S34 Q35 V42S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 3.26Å; Q35-A38 PolarHBondContact O-N 3.5Å; A38-V42 VanDerWaalsContact O-CG2 3.31Å; A38-V42 WeakPolarHBondContact O-CG2 3.46Å; A38-V42 PolarHBondContact O-N 3.45Å; A38-V42 VanDerWaalsContact O-N 3.09Å
39F82.5Confident78Confident22 Ų2280.4 Ų80.410%0.09644%0.436CS..Hα-helixtrans-75.8-41.7177.7176.3-95.3000111.7L23 I24 Q27 Q35 C36 K37 E41 V42 V43 Y83L23-F39 HydrophobicContact CB-CE2 3.81Å; L23-F39 HydrophobicContact CB-CZ 3.84Å; L23-F39 WeakPolarHBondContact O-CE2 3.41Å; L23-F39 WeakPolarHBondContact O-CZ 3.46Å; I24-F39 VanDerWaalsContact CA-CZ 3.48Å; I24-F39 HydrophobicContact CB-CE1 4.25Å; I24-F39 HydrophobicContact CB-CZ 4.19Å; I24-F39 HydrophobicContact CG1-CE1 3.81Å; I24-F39 HydrophobicContact CG1-CZ 3.82Å; I24-F39 HydrophobicContact CG2-CE1 4.45Å; Q27-F39 HydrophobicContact CG-CD1 4.41Å; Q27-F39 HydrophobicContact CG-CD2 4.19Å; Q27-F39 HydrophobicContact CG-CE1 4.18Å; Q27-F39 HydrophobicContact CG-CE2 3.95Å; Q27-F39 HydrophobicContact CG-CG 4.43Å; Q27-F39 HydrophobicContact CG-CZ 3.99Å; Q27-F39 VanDerWaalsContact NE2-CD2 3.29Å; Q35-F39 WeakPolarHBondContact O-CA 3.43Å; Q35-F39 WeakPolarHBondContact O-CB 3.36Å; Q35-F39 PolarHBondContact O-N 3.02Å; C36-F39 CarbonylContact O-C 3.58Å; C36-F39 WeakPolarHBondContact O-CB 3.49Å; C36-F39 PolarHBondContact O-N 3.44Å; K37-F39 PolarHBondContact O-N 3Å; F39-E41 VanDerWaalsContact C-N 3.27Å; F39-E41 PolarHBondContact O-N 3.45Å; F39-V42 CarbonylContact O-C 3.57Å; F39-V42 WeakPolarHBondContact O-CA 3.25Å; F39-V42 WeakPolarHBondContact O-CB 3.37Å; F39-V42 PolarHBondContact O-N 2.81Å; F39-V43 HydrophobicContact CD1-CG2 4.09Å; F39-V43 HydrophobicContact CE1-CG2 3.45Å; F39-V43 VanDerWaalsContact CE1-CG2 3.45Å; F39-V43 HydrophobicContact CE2-CG2 4.05Å; F39-V43 HydrophobicContact CZ-CG2 3.37Å; F39-V43 WeakPolarHBondContact O-CG2 3.44Å; F39-V43 PolarHBondContact O-N 3.23Å; F39-Y83 HydrophobicContact CD1-CE1 4.32Å; F39-Y83 HydrophobicContact CE1-CE1 4.18Å
40E85.4Confident79.8Confident60 Ų6075.1 Ų75.128%0.2841%0.407SS..Hα-helixtrans-54.4-46.9169.4-78.4171-177.600109.8C36 K37 V42 V43 D44 Y83 Y87C36-E40 WeakPolarHBondContact O-CB 3.39Å; C36-E40 WeakPolarHBondContact O-CG 3.48Å; C36-E40 PolarHBondContact O-N 2.88Å; K37-E40 PolarHBondContact O-N 3.25Å; E40-V42 VanDerWaalsContact C-N 3.3Å; E40-V42 PolarHBondContact O-N 3.47Å; E40-V43 PolarHBondContact O-N 2.95Å; E40-V43 VanDerWaalsContact O-N 3.16Å; E40-D44 WeakPolarHBondContact O-CB 3.34Å; E40-D44 VanDerWaalsContact O-CG 3.25Å; E40-D44 PolarHBondContact O-N 2.95Å; E40-Y83 HydrophobicContact CG-CE1 3.81Å; E40-Y87 PolarHBondContact OE1-OH 2.91Å
41E89.5Confident81.9Confident109 Ų10973.9 Ų73.951%0.50940%0.399SS..Hα-helixtrans-60.5-37.1175.3-68.9173.3-172.100112.9K37 F39 T45K37-E41 WeakPolarHBondContact O-CG 3.46Å; K37-E41 PolarHBondContact O-N 3.31Å; F39-E41 VanDerWaalsContact C-N 3.27Å; F39-E41 PolarHBondContact O-N 3.45Å; E41-T45 WeakPolarHBondContact O-CB 3.32Å; E41-T45 PolarHBondContact O-N 3.41Å; E41-T45 PolarHBondContact O-OG1 2.9Å
42V89.8Confident83.9Confident68 Ų6872.5 Ų72.541%0.41238%0.383SS..Hα-helixtrans-66.9-46.7174.2169.70000110.8L23 A38 F39 E40 D44 T45 Q46L23-V42 HydrophobicContact CD1-CG1 4.46Å; A38-V42 VanDerWaalsContact O-CG2 3.31Å; A38-V42 WeakPolarHBondContact O-CG2 3.46Å; A38-V42 PolarHBondContact O-N 3.45Å; A38-V42 VanDerWaalsContact O-N 3.09Å; F39-V42 CarbonylContact O-C 3.57Å; F39-V42 WeakPolarHBondContact O-CA 3.25Å; F39-V42 WeakPolarHBondContact O-CB 3.37Å; F39-V42 PolarHBondContact O-N 2.81Å; E40-V42 VanDerWaalsContact C-N 3.3Å; E40-V42 PolarHBondContact O-N 3.47Å; V42-D44 VanDerWaalsContact C-N 3.34Å; V42-D44 PolarHBondContact O-N 2.82Å; V42-T45 PolarHBondContact O-N 3.15Å; V42-Q46 VanDerWaalsContact O-CG 3.27Å; V42-Q46 WeakPolarHBondContact O-CG 3.48Å; V42-Q46 PolarHBondContact O-N 2.95Å
43V90.8Very high85.8Confident1 Ų173.9 Ų73.91%0.00638%0.384CS..Hα-helixtrans-62.1-43178.2172.40000110.7I20 I24 F39 E40 T45 Q46 M47 L79 Y83I20-V43 HydrophobicContact CG2-CG1 4.34Å; I24-V43 HydrophobicContact CD1-CG1 4.4Å; I24-V43 HydrophobicContact CD1-CG2 4.5Å; I24-V43 HydrophobicContact CG1-CG2 4.08Å; F39-V43 HydrophobicContact CD1-CG2 4.09Å; F39-V43 HydrophobicContact CE1-CG2 3.45Å; F39-V43 VanDerWaalsContact CE1-CG2 3.45Å; F39-V43 HydrophobicContact CE2-CG2 4.05Å; F39-V43 HydrophobicContact CZ-CG2 3.37Å; F39-V43 WeakPolarHBondContact O-CG2 3.44Å; F39-V43 PolarHBondContact O-N 3.23Å; E40-V43 PolarHBondContact O-N 2.95Å; E40-V43 VanDerWaalsContact O-N 3.16Å; V43-T45 VanDerWaalsContact C-N 3.33Å; V43-T45 PolarHBondContact O-N 3.03Å; V43-Q46 WeakPolarHBondContact O-CB 3.33Å; V43-Q46 PolarHBondContact O-N 3.09Å; V43-Q46 VanDerWaalsContact O-N 3.15Å; V43-M47 HydrophobicContact CG1-CG 4.5Å; V43-M47 WeakPolarHBondContact O-CG 3.32Å; V43-M47 PolarHBondContact O-N 3.28Å; V43-L79 HydrophobicContact CG1-CD1 3.83Å; V43-L79 HydrophobicContact CG1-CD2 4.41Å; V43-Y83 WeakPolarHBondContact CB-OH 3.44Å; V43-Y83 HydrophobicContact CG1-CE2 4.49Å; V43-Y83 WeakPolarHBondContact CG2-OH 3.35Å
44D93.7Very high88.1Confident102 Ų10267 Ų6755%0.54535%0.349SS..Hα-helixtrans-61-42.6176.4-74-13.7000111.7E40 V42 Q46 M47 Y48E40-D44 WeakPolarHBondContact O-CB 3.34Å; E40-D44 VanDerWaalsContact O-CG 3.25Å; E40-D44 PolarHBondContact O-N 2.95Å; V42-D44 VanDerWaalsContact C-N 3.34Å; V42-D44 PolarHBondContact O-N 2.82Å; D44-Q46 VanDerWaalsContact C-N 3.31Å; D44-Q46 PolarHBondContact O-N 2.97Å; D44-M47 PolarHBondContact O-N 3.01Å; D44-Y48 PolarHBondContact O-N 2.91Å
45T96Very high90.1Very high92 Ų9266.6 Ų66.656%0.56434%0.336SS*.Hα-helixtrans-62.9-40.6175.7-59.90000111.3E41 V42 V43 Y48 G49E41-T45 WeakPolarHBondContact O-CB 3.32Å; E41-T45 PolarHBondContact O-N 3.41Å; E41-T45 PolarHBondContact O-OG1 2.9Å; V42-T45 PolarHBondContact O-N 3.15Å; V43-T45 VanDerWaalsContact C-N 3.33Å; V43-T45 PolarHBondContact O-N 3.03Å; T45-Y48 PolarHBondContact O-N 3.32Å; T45-G49 PolarHBondContact O-N 3.39Å
46Q95.4Very high91.8Very high91 Ų9169 Ų6943%0.42535%0.345SS..Hα-helixtrans-67.6-40.5176.5-66.3-66.2-31.700111.7I20 L23 V42 V43 D44 Y48 G49 F50I20-Q46 HydrophobicContact CD1-CB 3.98Å; I20-Q46 HydrophobicContact CG1-CB 3.92Å; I20-Q46 HydrophobicContact CG2-CB 4.32Å; L23-Q46 HydrophobicContact CD1-CG 3.82Å; V42-Q46 VanDerWaalsContact O-CG 3.27Å; V42-Q46 WeakPolarHBondContact O-CG 3.48Å; V42-Q46 PolarHBondContact O-N 2.95Å; V43-Q46 WeakPolarHBondContact O-CB 3.33Å; V43-Q46 PolarHBondContact O-N 3.09Å; V43-Q46 VanDerWaalsContact O-N 3.15Å; D44-Q46 VanDerWaalsContact C-N 3.31Å; D44-Q46 PolarHBondContact O-N 2.97Å; Q46-Y48 VanDerWaalsContact C-N 3.34Å; Q46-Y48 PolarHBondContact O-N 3.35Å; Q46-G49 PolarHBondContact O-N 3.05Å; Q46-F50 WeakPolarHBondContact O-CB 3.42Å; Q46-F50 PolarHBondContact O-N 3.27Å
47M97.1Very high93Very high32 Ų3267.4 Ų67.416%0.15834%0.335CS..Hα-helixtrans-60.3-42.7173.2-79.4-60.3-6900111.9I20 V43 D44 F50 S51 L75 E76 L79I20-M47 HydrophobicContact CD1-SD 4.43Å; I20-M47 HydrophobicContact CG2-SD 4.38Å; V43-M47 HydrophobicContact CG1-CG 4.5Å; V43-M47 WeakPolarHBondContact O-CG 3.32Å; V43-M47 PolarHBondContact O-N 3.28Å; D44-M47 PolarHBondContact O-N 3.01Å; M47-F50 PolarHBondContact O-N 3.49Å; M47-S51 WeakPolarHBondContact O-CB 2.79Å; M47-S51 PolarHBondContact O-N 2.97Å; M47-L75 HydrophobicContact CE-CB 4.46Å; M47-L75 HydrophobicContact CE-CD2 4.1Å; M47-L75 HydrophobicContact CE-CG 4.13Å; M47-L75 HydrophobicContact SD-CD2 3.32Å; M47-L75 WeakPolarHBondContact SD-CD2 3.31Å; M47-L75 HydrophobicContact SD-CG 3.59Å; M47-L75 VanDerWaalsContact SD-CG 3.59Å; M47-E76 HydrophobicContact CE-CB 4.33Å; M47-L79 HydrophobicContact CE-CD1 4.37Å; M47-L79 HydrophobicContact CG-CD1 3.61Å; M47-L79 HydrophobicContact SD-CD1 3.44Å; M47-L79 WeakPolarHBondContact SD-CD1 3.27Å
48Y97.8Very high93.8Very high151 Ų15164 Ų6459%0.59232%0.322SS*.Hα-helixtrans-59.8-49.5172.5177.6-102.4000111.2D44 T45 Q46 F50 S51 R52D44-Y48 PolarHBondContact O-N 2.91Å; T45-Y48 PolarHBondContact O-N 3.32Å; Q46-Y48 VanDerWaalsContact C-N 3.34Å; Q46-Y48 PolarHBondContact O-N 3.35Å; Y48-F50 PolarHBondContact O-N 3.45Å; Y48-S51 WeakPolarHBondContact O-CB 3.42Å; Y48-S51 PolarHBondContact O-N 3.33Å; Y48-S51 PolarHBondContact O-OG 3.32Å; Y48-R52 HydrophobicContact CD1-CG 4.43Å; Y48-R52 HydrophobicContact CE1-CG 4Å; Y48-R52 HydrophobicContact CE2-CG 4.42Å; Y48-R52 WeakPolarHBondContact O-CG 3.42Å; Y48-R52 PolarHBondContact O-N 3.03Å; Y48-R52 VanDerWaalsContact O-N 3.13Å
49G97.7Very high94.3Very high31 Ų3168.6 Ų68.632%0.3233%0.332SS..Hα-helixtrans-54.9-48.4176.700000112.7T45 Q46 S51 R52 Q53T45-G49 PolarHBondContact O-N 3.39Å; Q46-G49 PolarHBondContact O-N 3.05Å; G49-S51 PolarHBondContact O-N 3.42Å; G49-R52 WeakPolarHBondContact O-CB 3.35Å; G49-R52 PolarHBondContact O-N 3.26Å; G49-R52 VanDerWaalsContact O-N 3.14Å; G49-Q53 PolarHBondContact O-N 3.25Å
50F98.2Very high94.8Very high5 Ų571.2 Ų71.22%0.02235%0.35CS..Hα-helixtrans-60.8-43.1176.6-179.3-114.1000112.2L13 D16 A17 I20 Q46 M47 Y48 R52 Q53 V54 M71 L72 L75L13-F50 HydrophobicContact CB-CE2 4.22Å; L13-F50 HydrophobicContact CD2-CE2 4.09Å; L13-F50 VanDerWaalsContact O-CE2 3.25Å; L13-F50 WeakPolarHBondContact O-CE2 3.47Å; D16-F50 HydrophobicContact CB-CD2 4.24Å; D16-F50 HydrophobicContact CB-CE2 4.48Å; A17-F50 HydrophobicContact CB-CE1 4.41Å; A17-F50 HydrophobicContact CB-CE2 4.14Å; A17-F50 HydrophobicContact CB-CZ 3.92Å; I20-F50 HydrophobicContact CD1-CB 3.71Å; I20-F50 HydrophobicContact CD1-CG 4.21Å; Q46-F50 WeakPolarHBondContact O-CB 3.42Å; Q46-F50 PolarHBondContact O-N 3.27Å; M47-F50 PolarHBondContact O-N 3.49Å; Y48-F50 PolarHBondContact O-N 3.45Å; F50-R52 PolarHBondContact O-N 3.06Å; F50-Q53 WeakPolarHBondContact O-CB 3.47Å; F50-Q53 PolarHBondContact O-N 3.22Å; F50-V54 HydrophobicContact CD1-CG2 4.21Å; F50-V54 HydrophobicContact CD2-CG2 4.36Å; F50-V54 HydrophobicContact CE1-CG2 3.77Å; F50-V54 HydrophobicContact CE2-CG2 3.93Å; F50-V54 HydrophobicContact CG-CG2 4.48Å; F50-V54 HydrophobicContact CZ-CG2 3.62Å; F50-V54 WeakPolarHBondContact O-CG2 3.47Å; F50-V54 PolarHBondContact O-N 3.16Å; F50-M71 HydrophobicContact CE1-CB 4.5Å; F50-M71 HydrophobicContact CZ-CB 4.39Å; F50-L72 HydrophobicContact CD1-CD2 3.59Å; F50-L72 HydrophobicContact CE1-CD2 3.83Å; F50-L75 HydrophobicContact CD1-CD2 3.55Å; F50-L75 HydrophobicContact CE1-CD2 3.7Å; F50-L75 HydrophobicContact CG-CD2 4.26Å
51S98.1Very high95.1Very high35 Ų3571 Ų7125%0.24536%0.364CS..Hα-helixtrans-57.5-35.4175.382.50000112.9M47 Y48 G49 F55M47-S51 WeakPolarHBondContact O-CB 2.79Å; M47-S51 PolarHBondContact O-N 2.97Å; Y48-S51 WeakPolarHBondContact O-CB 3.42Å; Y48-S51 PolarHBondContact O-N 3.33Å; Y48-S51 PolarHBondContact O-OG 3.32Å; G49-S51 PolarHBondContact O-N 3.42Å; S51-F55 VanDerWaalsContact O-CB 3.29Å; S51-F55 WeakPolarHBondContact O-CB 3.41Å; S51-F55 PolarHBondContact O-N 2.81Å
52R98Very high95.3Very high128 Ų12867.5 Ų67.548%0.48335%0.348SS..Hα-helixtrans-69.5-38.2176.7-60.9-52.9-61.8173.8-5.1112.1Y48 G49 F50 F56Y48-R52 HydrophobicContact CD1-CG 4.43Å; Y48-R52 HydrophobicContact CE1-CG 4Å; Y48-R52 HydrophobicContact CE2-CG 4.42Å; Y48-R52 WeakPolarHBondContact O-CG 3.42Å; Y48-R52 PolarHBondContact O-N 3.03Å; Y48-R52 VanDerWaalsContact O-N 3.13Å; G49-R52 WeakPolarHBondContact O-CB 3.35Å; G49-R52 PolarHBondContact O-N 3.26Å; G49-R52 VanDerWaalsContact O-N 3.14Å; F50-R52 PolarHBondContact O-N 3.06Å; R52-F56 WeakPolarHBondContact O-CB 3.27Å; R52-F56 PolarHBondContact O-N 2.76Å
53Q96.9Very high95.4Very high76 Ų7664.5 Ų64.536%0.35533%0.33SS..Hα-helixtrans-66.4-46.1175.5-62.8175-7.200111.4L13 D16 G49 F50 F55 F56 A57L13-Q53 HydrophobicContact CD2-CB 3.85Å; D16-Q53 PolarHBondContact OD2-NE2 3.44Å; D16-Q53 PolarHBondContact OD2-OE1 3.22Å; G49-Q53 PolarHBondContact O-N 3.25Å; F50-Q53 WeakPolarHBondContact O-CB 3.47Å; F50-Q53 PolarHBondContact O-N 3.22Å; Q53-F55 PolarHBondContact O-N 3.48Å; Q53-F56 WeakPolarHBondContact O-CB 3.42Å; Q53-F56 PolarHBondContact O-N 3.21Å; Q53-A57 PolarHBondContact O-N 2.9Å
54V97.7Very high95.5Very high2 Ų271.9 Ų71.91%0.01236%0.362CS..Hα-helixtrans-57.9-48.2175.7168.90000110.8L13 F50 F56 A57 E58 L63 L72L13-V54 HydrophobicContact CD2-CG2 4.24Å; F50-V54 HydrophobicContact CD1-CG2 4.21Å; F50-V54 HydrophobicContact CD2-CG2 4.36Å; F50-V54 HydrophobicContact CE1-CG2 3.77Å; F50-V54 HydrophobicContact CE2-CG2 3.93Å; F50-V54 HydrophobicContact CG-CG2 4.48Å; F50-V54 HydrophobicContact CZ-CG2 3.62Å; F50-V54 WeakPolarHBondContact O-CG2 3.47Å; F50-V54 PolarHBondContact O-N 3.16Å; V54-F56 VanDerWaalsContact C-N 3.31Å; V54-F56 PolarHBondContact O-N 3.4Å; V54-A57 PolarHBondContact O-N 3.15Å; V54-A57 VanDerWaalsContact O-N 3.14Å; V54-E58 PolarHBondContact O-N 3.39Å; V54-L63 HydrophobicContact CG1-CD1 4.03Å; V54-L72 HydrophobicContact CG1-CD1 4.26Å; V54-L72 HydrophobicContact CG1-CG 4.39Å; V54-L72 HydrophobicContact CG2-CD2 4.39Å
55F96.1Very high95.2Very high81 Ų8179.2 Ų79.236%0.35538%0.382SS..Hα-helixtrans-62-37.5177.5-180-111.1000112.9S51 Q53 K59S51-F55 VanDerWaalsContact O-CB 3.29Å; S51-F55 WeakPolarHBondContact O-CB 3.41Å; S51-F55 PolarHBondContact O-N 2.81Å; Q53-F55 PolarHBondContact O-N 3.48Å; F55-K59 HydrophobicContact CD1-CD 4.19Å; F55-K59 HydrophobicContact CE1-CD 3.76Å; F55-K59 HydrophobicContact CZ-CD 4.01Å; F55-K59 VanDerWaalsContact CZ-NZ 3.3Å; F55-K59 WeakPolarHBondContact O-CG 3.31Å; F55-K59 PolarHBondContact O-N 3.21Å; F55-K59 VanDerWaalsContact O-N 3.11Å
56F95.9Very high95Very high136 Ų13676.6 Ų76.660%0.59637%0.374SS*.Hα-helixtrans-63.3-46.8173175.2-97.4000111.1R52 Q53 V54 E58 K59 V60R52-F56 WeakPolarHBondContact O-CB 3.27Å; R52-F56 PolarHBondContact O-N 2.76Å; Q53-F56 WeakPolarHBondContact O-CB 3.42Å; Q53-F56 PolarHBondContact O-N 3.21Å; V54-F56 VanDerWaalsContact C-N 3.31Å; V54-F56 PolarHBondContact O-N 3.4Å; F56-E58 VanDerWaalsContact C-N 3.34Å; F56-E58 PolarHBondContact O-N 2.74Å; F56-K59 WeakPolarHBondContact O-CB 3.38Å; F56-K59 PolarHBondContact O-N 2.9Å; F56-K59 VanDerWaalsContact O-N 3.09Å; F56-V60 HydrophobicContact CD2-CG1 4.41Å; F56-V60 HydrophobicContact CE1-CG1 4.12Å; F56-V60 HydrophobicContact CE1-CG2 4.3Å; F56-V60 HydrophobicContact CE2-CG1 3.9Å; F56-V60 HydrophobicContact CZ-CG1 3.74Å; F56-V60 WeakPolarHBondContact O-CG2 3.45Å; F56-V60 PolarHBondContact O-N 3.28Å
57A95.5Very high94.9Very high7 Ų775.4 Ų75.46%0.05837%0.368CS..Hα-helixtrans-62.5-37.4179.600000112.8L13 Q53 V54 G61 I62 L63L13-A57 HydrophobicContact CD1-CB 3.95Å; Q53-A57 PolarHBondContact O-N 2.9Å; V54-A57 PolarHBondContact O-N 3.15Å; V54-A57 VanDerWaalsContact O-N 3.14Å; A57-G61 PolarHBondContact O-N 3.35Å; A57-I62 HydrophobicContact CB-CB 4.22Å; A57-I62 HydrophobicContact CB-CG2 4.2Å; A57-I62 WeakPolarHBondContact O-CB 3.46Å; A57-I62 PolarHBondContact O-N 3Å; A57-L63 HydrophobicContact CB-CD1 3.83Å; A57-L63 HydrophobicContact CB-CG 3.77Å; A57-L63 PolarHBondContact O-N 3.12Å
58E94.7Very high94.8Very high65 Ų6573.9 Ų73.930%0.30436%0.361SS..Hα-helixtrans-63-44.2170.5-73.4-173.8147.900111.8V54 F56 V60 G61 L63 G68V54-E58 PolarHBondContact O-N 3.39Å; F56-E58 VanDerWaalsContact C-N 3.34Å; F56-E58 PolarHBondContact O-N 2.74Å; E58-V60 VanDerWaalsContact C-N 3.34Å; E58-V60 PolarHBondContact O-N 2.96Å; E58-G61 PolarHBondContact O-N 3.46Å; E58-G61 VanDerWaalsContact O-N 3.14Å; E58-L63 HydrophobicContact CB-CB 4.47Å; E58-L63 HydrophobicContact CG-CB 3.71Å; E58-L63 HydrophobicContact CG-CD1 4.09Å; E58-G68 WeakPolarHBondContact OE1-CA 2.92Å; E58-G68 PolarHBondContact OE1-N 2.77Å
59K94.2Very high94.8Very high146 Ų14672.3 Ų72.364%0.63536%0.358SS*.Hα-helixtrans-65-34-179-82.4-174.3164.6-178.70114.2F55 F56 G61F55-K59 HydrophobicContact CD1-CD 4.19Å; F55-K59 HydrophobicContact CE1-CD 3.76Å; F55-K59 HydrophobicContact CZ-CD 4.01Å; F55-K59 VanDerWaalsContact CZ-NZ 3.3Å; F55-K59 WeakPolarHBondContact O-CG 3.31Å; F55-K59 PolarHBondContact O-N 3.21Å; F55-K59 VanDerWaalsContact O-N 3.11Å; F56-K59 WeakPolarHBondContact O-CB 3.38Å; F56-K59 PolarHBondContact O-N 2.9Å; F56-K59 VanDerWaalsContact O-N 3.09Å; K59-G61 VanDerWaalsContact C-N 3.27Å
60V92.9Very high94.7Very high78 Ų7877 Ų7747%0.47337%0.37SS..THydrogen-bonded Turntrans-87.73.7177.7-57.70000112.9F56 E58 I62F56-V60 HydrophobicContact CD2-CG1 4.41Å; F56-V60 HydrophobicContact CE1-CG1 4.12Å; F56-V60 HydrophobicContact CE1-CG2 4.3Å; F56-V60 HydrophobicContact CE2-CG1 3.9Å; F56-V60 HydrophobicContact CZ-CG1 3.74Å; F56-V60 WeakPolarHBondContact O-CG2 3.45Å; F56-V60 PolarHBondContact O-N 3.28Å; E58-V60 VanDerWaalsContact C-N 3.34Å; E58-V60 PolarHBondContact O-N 2.96Å; V60-I62 VanDerWaalsContact C-N 3.3Å; V60-I62 HydrophobicContact CG2-CB 4.22Å; V60-I62 HydrophobicContact CG2-CD1 3.53Å; V60-I62 HydrophobicContact CG2-CG1 3.77Å; V60-I62 PolarHBondContact O-N 3.49Å
61G91.4Very high94.6Very high56 Ų5678.1 Ų78.158%0.57738%0.376SS*.THydrogen-bonded Turntrans75.815176.800000114.7A57 E58 K59A57-G61 PolarHBondContact O-N 3.35Å; E58-G61 PolarHBondContact O-N 3.46Å; E58-G61 VanDerWaalsContact O-N 3.14Å; K59-G61 VanDerWaalsContact C-N 3.27Å
62I92.9Very high94.6Very high34 Ų3478.1 Ų78.117%0.17437%0.373CS..SBendtrans-70.1-45.1171.7-75.6167.6000109.6A9 A57 V60A9-I62 HydrophobicContact CB-CD1 3.78Å; A9-I62 HydrophobicContact CB-CG1 4.31Å; A9-I62 HydrophobicContact CB-CG2 3.48Å; A9-I62 VanDerWaalsContact CB-CG2 3.48Å; A57-I62 HydrophobicContact CB-CB 4.22Å; A57-I62 HydrophobicContact CB-CG2 4.2Å; A57-I62 WeakPolarHBondContact O-CB 3.46Å; A57-I62 PolarHBondContact O-N 3Å; V60-I62 VanDerWaalsContact C-N 3.3Å; V60-I62 HydrophobicContact CG2-CB 4.22Å; V60-I62 HydrophobicContact CG2-CD1 3.53Å; V60-I62 HydrophobicContact CG2-CG1 3.77Å; V60-I62 PolarHBondContact O-N 3.49Å
63L93.7Very high94.6Very high6 Ų674.4 Ų74.43%0.03137%0.367CS..SBendtrans-98.6135.1176.3-61.1-176.1000110.8I10 L13 V54 A57 E58 E67 M71I10-L63 HydrophobicContact CD1-CD2 4.21Å; I10-L63 HydrophobicContact CG1-CD2 3.62Å; L13-L63 HydrophobicContact CD1-CD1 3.89Å; L13-L63 HydrophobicContact CD1-CD2 4.21Å; L13-L63 HydrophobicContact CD1-CG 4.29Å; V54-L63 HydrophobicContact CG1-CD1 4.03Å; A57-L63 HydrophobicContact CB-CD1 3.83Å; A57-L63 HydrophobicContact CB-CG 3.77Å; A57-L63 PolarHBondContact O-N 3.12Å; E58-L63 HydrophobicContact CB-CB 4.47Å; E58-L63 HydrophobicContact CG-CB 3.71Å; E58-L63 HydrophobicContact CG-CD1 4.09Å; L63-E67 HydrophobicContact CB-CB 4.34Å; L63-E67 HydrophobicContact CD2-CB 4.48Å; L63-M71 HydrophobicContact CD1-CE 3.58Å; L63-M71 HydrophobicContact CD2-CE 3.38Å; L63-M71 HydrophobicContact CG-CE 4.09Å
64K91.5Very high94.6Very high155 Ų15575.3 Ų75.367%0.67437%0.371SS*.PPolyproline II helixtrans-73.4157.5169.6-60.1174.1-174.81650109.5G66 E67K64-G66 PolarHBondContact O-N 3.26Å; K64-G66 VanDerWaalsContact O-N 3.13Å; K64-E67 HydrophobicContact CB-CG 4.09Å; K64-E67 WeakPolarHBondContact CB-OE2 3.48Å; K64-E67 PolarHBondContact N-OE2 3.37Å; K64-E67 WeakPolarHBondContact O-CB 3.35Å; K64-E67 PolarHBondContact O-N 3.27Å
65R88Confident94.6Very high256 Ų25675.4 Ų75.497%0.96637%0.371SS*.THydrogen-bonded Turntrans-51.7121.6176.8-174178.5-176.7177.70.8110.7
66G91.5Very high94.6Very high38 Ų3876.6 Ų76.639%0.39238%0.378SS..THydrogen-bonded Turntrans92.2-15.4177.100000114.8K64 G68 K70K64-G66 PolarHBondContact O-N 3.26Å; K64-G66 VanDerWaalsContact O-N 3.13Å; G66-G68 VanDerWaalsContact C-N 3.35Å; G66-K70 WeakPolarHBondContact O-CB 3.45Å; G66-K70 PolarHBondContact O-N 3.36Å
67E93.7Very high94.6Very high66 Ų6672.1 Ų72.131%0.30837%0.366SS..Hα-helixtrans-65.4-40.9173.5-70.4179.8158.700111L63 K64 K70 M71L63-E67 HydrophobicContact CB-CB 4.34Å; L63-E67 HydrophobicContact CD2-CB 4.48Å; K64-E67 HydrophobicContact CB-CG 4.09Å; K64-E67 WeakPolarHBondContact CB-OE2 3.48Å; K64-E67 PolarHBondContact N-OE2 3.37Å; K64-E67 WeakPolarHBondContact O-CB 3.35Å; K64-E67 PolarHBondContact O-N 3.27Å; E67-K70 PolarHBondContact O-N 3.48Å; E67-M71 HydrophobicContact CB-CE 4.12Å; E67-M71 WeakPolarHBondContact O-CE 3.47Å; E67-M71 WeakPolarHBondContact O-CG 3.39Å; E67-M71 PolarHBondContact O-N 3.29Å
68G95.5Very high94.5Very high0 Ų074.9 Ų74.90%038%0.378CS..Hα-helixtrans-64.2-46.9176.800000112.7E58 G66 K70 M71 L72E58-G68 WeakPolarHBondContact OE1-CA 2.92Å; E58-G68 PolarHBondContact OE1-N 2.77Å; G66-G68 VanDerWaalsContact C-N 3.35Å; G68-K70 VanDerWaalsContact C-N 3.28Å; G68-K70 PolarHBondContact O-N 3.3Å; G68-M71 PolarHBondContact O-N 2.68Å; G68-L72 WeakPolarHBondContact O-CG 2.81Å; G68-L72 PolarHBondContact O-N 3.38Å
69Q96Very high94.4Very high117 Ų11772.2 Ų72.255%0.54737%0.365SS..Hα-helixtrans-58.4-42.1175.3-176.559.644.100111.9L72 S73Q69-L72 PolarHBondContact O-N 3.17Å; Q69-S73 PolarHBondContact NE2-OG 2.99Å; Q69-S73 VanDerWaalsContact NE2-OG 3.12Å; Q69-S73 WeakPolarHBondContact O-CB 3.33Å; Q69-S73 PolarHBondContact O-N 3.35Å; Q69-S73 PolarHBondContact O-OG 3.42Å
70K96.7Very high94.2Very high129 Ų12969.4 Ų69.456%0.56136%0.357SS*.Hα-helixtrans-60.2-47.5177.2-178.7-179.9170.5-175.50111.3G66 E67 G68 L72 S73 E74G66-K70 WeakPolarHBondContact O-CB 3.45Å; G66-K70 PolarHBondContact O-N 3.36Å; E67-K70 PolarHBondContact O-N 3.48Å; G68-K70 VanDerWaalsContact C-N 3.28Å; G68-K70 PolarHBondContact O-N 3.3Å; K70-L72 VanDerWaalsContact C-N 3.34Å; K70-L72 PolarHBondContact O-N 3.45Å; K70-S73 PolarHBondContact O-N 3.36Å; K70-E74 WeakPolarHBondContact CE-OE1 3.19Å; K70-E74 HydrophobicContact CG-CG 4.34Å; K70-E74 IonicContact NZ-OE1 2.77Å; K70-E74 WeakPolarHBondContact O-CB 3.38Å; K70-E74 WeakPolarHBondContact O-CG 3.14Å; K70-E74 PolarHBondContact O-N 3.1Å
71M96.9Very high94.1Very high30 Ų3073.7 Ų73.715%0.14837%0.365CS..Hα-helixtrans-59.1-43.4177.8-74.4-178.7-118.200112.8L13 F50 L63 E67 G68 L75L13-M71 HydrophobicContact CB-SD 4.39Å; L13-M71 HydrophobicContact CD1-SD 4.4Å; F50-M71 HydrophobicContact CE1-CB 4.5Å; F50-M71 HydrophobicContact CZ-CB 4.39Å; L63-M71 HydrophobicContact CD1-CE 3.58Å; L63-M71 HydrophobicContact CD2-CE 3.38Å; L63-M71 HydrophobicContact CG-CE 4.09Å; E67-M71 HydrophobicContact CB-CE 4.12Å; E67-M71 WeakPolarHBondContact O-CE 3.47Å; E67-M71 WeakPolarHBondContact O-CG 3.39Å; E67-M71 PolarHBondContact O-N 3.29Å; G68-M71 PolarHBondContact O-N 2.68Å; M71-L75 WeakPolarHBondContact O-CB 3.3Å; M71-L75 PolarHBondContact O-N 3.23Å
72L97.8Very high93.9Very high34 Ų3471.9 Ų71.918%0.17834%0.342CS..Hα-helixtrans-64.1-45.8178.9-68.6169.5000111.7F50 V54 G68 Q69 K70 L75 E76F50-L72 HydrophobicContact CD1-CD2 3.59Å; F50-L72 HydrophobicContact CE1-CD2 3.83Å; V54-L72 HydrophobicContact CG1-CD1 4.26Å; V54-L72 HydrophobicContact CG1-CG 4.39Å; V54-L72 HydrophobicContact CG2-CD2 4.39Å; G68-L72 WeakPolarHBondContact O-CG 2.81Å; G68-L72 PolarHBondContact O-N 3.38Å; Q69-L72 PolarHBondContact O-N 3.17Å; K70-L72 VanDerWaalsContact C-N 3.34Å; K70-L72 PolarHBondContact O-N 3.45Å; L72-L75 PolarHBondContact O-N 3.25Å; L72-E76 WeakPolarHBondContact O-CB 3.41Å; L72-E76 PolarHBondContact O-N 3.41Å
73S97.6Very high93.5Very high51 Ų5171.8 Ų71.836%0.35734%0.34SS..Hα-helixtrans-68.9-36.4-179.8-65.10000112.9Q69 K70 A77Q69-S73 PolarHBondContact NE2-OG 2.99Å; Q69-S73 VanDerWaalsContact NE2-OG 3.12Å; Q69-S73 WeakPolarHBondContact O-CB 3.33Å; Q69-S73 PolarHBondContact O-N 3.35Å; Q69-S73 PolarHBondContact O-OG 3.42Å; K70-S73 PolarHBondContact O-N 3.36Å; S73-A77 WeakPolarHBondContact O-CB 3.34Å; S73-A77 PolarHBondContact O-N 3.17Å
74E97.4Very high93.1Very high94 Ų9474.8 Ų74.844%0.43936%0.358SS..Hα-helixtrans-64.3-46.5173.8-75.5175162.900110.9K70 A77 E78K70-E74 WeakPolarHBondContact CE-OE1 3.19Å; K70-E74 HydrophobicContact CG-CG 4.34Å; K70-E74 IonicContact NZ-OE1 2.77Å; K70-E74 WeakPolarHBondContact O-CB 3.38Å; K70-E74 WeakPolarHBondContact O-CG 3.14Å; K70-E74 PolarHBondContact O-N 3.1Å; E74-A77 PolarHBondContact O-N 3.21Å; E74-E78 WeakPolarHBondContact O-CG 3.33Å; E74-E78 PolarHBondContact O-N 2.94Å
75L96.9Very high92.7Very high4 Ų472.2 Ų72.22%0.02135%0.349CS..Hα-helixtrans-62.7-47.6177.9-179.256.7000111.7A17 I20 K21 M47 F50 M71 L72 A77 E78 L79A17-L75 HydrophobicContact CB-CD1 4.25Å; A17-L75 HydrophobicContact CB-CD2 3.92Å; I20-L75 HydrophobicContact CD1-CD2 4.04Å; K21-L75 HydrophobicContact CD-CD1 3.9Å; K21-L75 HydrophobicContact CG-CD1 3.58Å; M47-L75 HydrophobicContact CE-CB 4.46Å; M47-L75 HydrophobicContact CE-CD2 4.1Å; M47-L75 HydrophobicContact CE-CG 4.13Å; M47-L75 HydrophobicContact SD-CD2 3.32Å; M47-L75 WeakPolarHBondContact SD-CD2 3.31Å; M47-L75 HydrophobicContact SD-CG 3.59Å; M47-L75 VanDerWaalsContact SD-CG 3.59Å; F50-L75 HydrophobicContact CD1-CD2 3.55Å; F50-L75 HydrophobicContact CE1-CD2 3.7Å; F50-L75 HydrophobicContact CG-CD2 4.26Å; M71-L75 WeakPolarHBondContact O-CB 3.3Å; M71-L75 PolarHBondContact O-N 3.23Å; L72-L75 PolarHBondContact O-N 3.25Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 2.71Å; L75-E78 PolarHBondContact O-N 3.21Å; L75-E78 VanDerWaalsContact O-N 3.15Å; L75-L79 HydrophobicContact CD1-CD1 4.37Å; L75-L79 HydrophobicContact CD1-CD2 4.32Å; L75-L79 HydrophobicContact CD1-CG 4.16Å; L75-L79 HydrophobicContact CG-CD1 4.2Å; L75-L79 HydrophobicContact CG-CG 4.42Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 2.97Å
76E96.3Very high92.2Very high107 Ų10763 Ų6350%0.532%0.318SS..Hα-helixtrans-57.4-44.2176.8-175.6178.8-17200112M47 L72 E78 L79 N80M47-E76 HydrophobicContact CE-CB 4.33Å; L72-E76 WeakPolarHBondContact O-CB 3.41Å; L72-E76 PolarHBondContact O-N 3.41Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E76-E78 PolarHBondContact O-N 3.37Å; E76-L79 PolarHBondContact O-N 2.9Å; E76-N80 WeakPolarHBondContact O-CB 3.07Å; E76-N80 VanDerWaalsContact O-CG 3.31Å; E76-N80 PolarHBondContact O-N 3.41Å; E76-N80 PolarHBondContact O-ND2 3.47Å
77A96.3Very high91.4Very high41 Ų4166 Ų6634%0.33932%0.318SS..Hα-helixtrans-63.1-39.4176.400000112.5S73 E74 L75 R81S73-A77 WeakPolarHBondContact O-CB 3.34Å; S73-A77 PolarHBondContact O-N 3.17Å; E74-A77 PolarHBondContact O-N 3.21Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 2.71Å; A77-R81 WeakPolarHBondContact O-CG 3.14Å; A77-R81 PolarHBondContact O-N 3.02Å; A77-R81 VanDerWaalsContact O-N 3.12Å
78E93.3Very high90.5Very high66 Ų6668 Ų6831%0.30833%0.328SS..Hα-helixtrans-66.9-42.8175.6-75.5-176.7-143.800112.1K21 E74 L75 E76 N80 R81 L82K21-E78 HydrophobicContact CD-CB 4.07Å; K21-E78 WeakPolarHBondContact CD-OE2 3.48Å; K21-E78 WeakPolarHBondContact CE-OE2 2.85Å; K21-E78 IonicContact NZ-OE1 3.72Å; K21-E78 IonicContact NZ-OE2 2.62Å; K21-E78 PolarHBondContact NZ-OE2 2.87Å; E74-E78 WeakPolarHBondContact O-CG 3.33Å; E74-E78 PolarHBondContact O-N 2.94Å; L75-E78 PolarHBondContact O-N 3.21Å; L75-E78 VanDerWaalsContact O-N 3.15Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E76-E78 PolarHBondContact O-N 3.37Å; E78-N80 PolarHBondContact O-N 3.29Å; E78-R81 PolarHBondContact O-N 2.87Å; E78-L82 WeakPolarHBondContact O-CG 3.28Å; E78-L82 PolarHBondContact O-N 2.85Å
79L92.2Very high89.3Confident8 Ų872.7 Ų72.74%0.04235%0.353CS..Hα-helixtrans-62.7-43.3176.8-62.7174.7000111.2I20 K21 I24 V43 M47 L75 E76 R81 L82 Y83I20-L79 HydrophobicContact CG2-CD1 4.01Å; I20-L79 HydrophobicContact CG2-CD2 3.98Å; K21-L79 HydrophobicContact CG-CD2 4.07Å; I24-L79 HydrophobicContact CD1-CB 3.91Å; I24-L79 HydrophobicContact CD1-CD2 3.37Å; I24-L79 HydrophobicContact CD1-CG 4.17Å; I24-L79 HydrophobicContact CG1-CD2 3.98Å; V43-L79 HydrophobicContact CG1-CD1 3.83Å; V43-L79 HydrophobicContact CG1-CD2 4.41Å; M47-L79 HydrophobicContact CE-CD1 4.37Å; M47-L79 HydrophobicContact CG-CD1 3.61Å; M47-L79 HydrophobicContact SD-CD1 3.44Å; M47-L79 WeakPolarHBondContact SD-CD1 3.27Å; L75-L79 HydrophobicContact CD1-CD1 4.37Å; L75-L79 HydrophobicContact CD1-CD2 4.32Å; L75-L79 HydrophobicContact CD1-CG 4.16Å; L75-L79 HydrophobicContact CG-CD1 4.2Å; L75-L79 HydrophobicContact CG-CG 4.42Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 2.97Å; E76-L79 PolarHBondContact O-N 2.9Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.24Å; L79-L82 PolarHBondContact O-N 3.34Å; L79-Y83 HydrophobicContact CB-CE2 4.49Å; L79-Y83 WeakPolarHBondContact O-CD2 3.17Å; L79-Y83 PolarHBondContact O-N 3.11Å
80N90.6Very high87.7Confident88 Ų8870.7 Ų70.747%0.47134%0.34SS..Hα-helixtrans-59.6-42.2176-75.5-30.4000112.3E76 E78 Y83 T84E76-N80 WeakPolarHBondContact O-CB 3.07Å; E76-N80 VanDerWaalsContact O-CG 3.31Å; E76-N80 PolarHBondContact O-N 3.41Å; E76-N80 PolarHBondContact O-ND2 3.47Å; E78-N80 PolarHBondContact O-N 3.29Å; N80-Y83 PolarHBondContact O-N 3.29Å; N80-T84 PolarHBondContact O-N 3.16Å; N80-T84 PolarHBondContact O-OG1 3.13Å; N80-T84 VanDerWaalsContact O-OG1 3.13Å
81R90.2Very high85.9Confident167 Ų16770.5 Ų70.563%0.6334%0.341SS*.Hα-helixtrans-61.5-46.7174.8-73173.5-175.3171.13111.8A77 E78 L79 Y83 T84 E85A77-R81 WeakPolarHBondContact O-CG 3.14Å; A77-R81 PolarHBondContact O-N 3.02Å; A77-R81 VanDerWaalsContact O-N 3.12Å; E78-R81 PolarHBondContact O-N 2.87Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.24Å; R81-Y83 VanDerWaalsContact C-N 3.3Å; R81-Y83 PolarHBondContact O-N 2.89Å; R81-T84 PolarHBondContact O-N 3.3Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.25Å
82L86.9Confident84Confident18 Ų1874.2 Ų74.29%0.09436%0.362CS..Hα-helixtrans-62.7-38178.9-66.9170.4000111.7K21 I24 R25 E78 L79 L86K21-L82 HydrophobicContact CB-CD1 4.29Å; I24-L82 HydrophobicContact CB-CB 4.26Å; I24-L82 HydrophobicContact CB-CD1 4.17Å; I24-L82 HydrophobicContact CD1-CB 4.29Å; I24-L82 HydrophobicContact CG2-CB 3.66Å; I24-L82 HydrophobicContact CG2-CD1 4.47Å; R25-L82 HydrophobicContact CG-CD1 4.24Å; R25-L82 HydrophobicContact CG-CD2 3.99Å; E78-L82 WeakPolarHBondContact O-CG 3.28Å; E78-L82 PolarHBondContact O-N 2.85Å; L79-L82 PolarHBondContact O-N 3.34Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.27Å; L82-L86 PolarHBondContact O-N 2.93Å; L82-L86 VanDerWaalsContact O-N 3.09Å
83Y84.7Confident81.9Confident33 Ų3378.9 Ų78.913%0.12938%0.384CS..Hα-helixtrans-62.8-49.6172.5-79.3-59.1000111.7I24 F39 E40 V43 L79 N80 R81 E85 L86 Y87I24-Y83 HydrophobicContact CD1-CD2 4.02Å; I24-Y83 HydrophobicContact CD1-CE1 4.22Å; I24-Y83 HydrophobicContact CD1-CE2 3.61Å; I24-Y83 HydrophobicContact CD1-CG 4.48Å; F39-Y83 HydrophobicContact CD1-CE1 4.32Å; F39-Y83 HydrophobicContact CE1-CE1 4.18Å; E40-Y83 HydrophobicContact CG-CE1 3.81Å; V43-Y83 WeakPolarHBondContact CB-OH 3.44Å; V43-Y83 HydrophobicContact CG1-CE2 4.49Å; V43-Y83 WeakPolarHBondContact CG2-OH 3.35Å; L79-Y83 HydrophobicContact CB-CE2 4.49Å; L79-Y83 WeakPolarHBondContact O-CD2 3.17Å; L79-Y83 PolarHBondContact O-N 3.11Å; N80-Y83 PolarHBondContact O-N 3.29Å; R81-Y83 VanDerWaalsContact C-N 3.3Å; R81-Y83 PolarHBondContact O-N 2.89Å; Y83-E85 VanDerWaalsContact C-N 3.34Å; Y83-E85 PolarHBondContact O-N 3.42Å; Y83-L86 PolarHBondContact O-N 3.36Å; Y83-L86 VanDerWaalsContact O-N 3.13Å; Y83-Y87 HydrophobicContact CD1-CE2 4.29Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.44Å; Y83-Y87 PolarHBondContact O-N 3.09Å
84T84.5Confident79.8Confident69 Ų6980.9 Ų80.942%0.42340%0.395SS..Hα-helixtrans-55.8-47.5177.6-61.60000111.6N80 R81 L86 Y87 E88N80-T84 PolarHBondContact O-N 3.16Å; N80-T84 PolarHBondContact O-OG1 3.13Å; N80-T84 VanDerWaalsContact O-OG1 3.13Å; R81-T84 PolarHBondContact O-N 3.3Å; T84-L86 VanDerWaalsContact C-N 3.32Å; T84-L86 PolarHBondContact O-N 3.13Å; T84-Y87 PolarHBondContact O-N 3.03Å; T84-Y87 VanDerWaalsContact O-N 3.1Å; T84-E88 HydrophobicContact CG2-CG 4.06Å; T84-E88 VanDerWaalsContact CG2-OE1 3.28Å; T84-E88 WeakPolarHBondContact CG2-OE1 3.3Å; T84-E88 WeakPolarHBondContact O-CB 3.3Å; T84-E88 WeakPolarHBondContact O-CG 3.37Å; T84-E88 PolarHBondContact O-N 3.05Å
85E83.4Confident77.6Confident101 Ų10183 Ų8347%0.47241%0.409SS..Hα-helixtrans-58.6-41.5177-71.9171-162.700112.1R81 Y83 N89R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.25Å; Y83-E85 VanDerWaalsContact C-N 3.34Å; Y83-E85 PolarHBondContact O-N 3.42Å; E85-N89 VanDerWaalsContact O-CB 3.27Å; E85-N89 WeakPolarHBondContact O-CB 3.38Å; E85-N89 PolarHBondContact O-N 2.81Å; E85-N89 PolarHBondContact O-ND2 3.1Å
86L78Confident75.4Confident61 Ų6186.4 Ų86.432%0.31944%0.437SS..Hα-helixtrans-67.7-33.9176.4-72.8177.4000112.9I24 L82 Y83 T84I24-L86 HydrophobicContact CG2-CD1 3.47Å; I24-L86 VanDerWaalsContact CG2-CD1 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.27Å; L82-L86 PolarHBondContact O-N 2.93Å; L82-L86 VanDerWaalsContact O-N 3.09Å; Y83-L86 PolarHBondContact O-N 3.36Å; Y83-L86 VanDerWaalsContact O-N 3.13Å; T84-L86 VanDerWaalsContact C-N 3.32Å; T84-L86 PolarHBondContact O-N 3.13Å
87Y75.2Confident72.8Confident101 Ų10183.5 Ų83.540%0.39644%0.437SS..Hα-helixtrans-77-39.7177.3-77-65.4000112.4E40 Y83 T84 R90 Q91E40-Y87 PolarHBondContact OE1-OH 2.91Å; Y83-Y87 HydrophobicContact CD1-CE2 4.29Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.44Å; Y83-Y87 PolarHBondContact O-N 3.09Å; T84-Y87 PolarHBondContact O-N 3.03Å; T84-Y87 VanDerWaalsContact O-N 3.1Å; Y87-R90 WeakPolarHBondContact O-CB 3.39Å; Y87-R90 PolarHBondContact O-N 2.87Å; Y87-Q91 PolarHBondContact O-N 3.39Å; Y87-Q91 VanDerWaalsContact O-N 3.16Å
88E75.1Confident70.2Confident109 Ų10993 Ų9351%0.50946%0.464SS..Hα-helixtrans-67.6-49.1177.2-73.9177.6174.700111.8T84 R90 Q91 D92T84-E88 HydrophobicContact CG2-CG 4.06Å; T84-E88 VanDerWaalsContact CG2-OE1 3.28Å; T84-E88 WeakPolarHBondContact CG2-OE1 3.3Å; T84-E88 WeakPolarHBondContact O-CB 3.3Å; T84-E88 WeakPolarHBondContact O-CG 3.37Å; T84-E88 PolarHBondContact O-N 3.05Å; E88-R90 PolarHBondContact O-N 2.94Å; E88-Q91 PolarHBondContact O-N 3.36Å; E88-D92 PolarHBondContact O-N 3.15Å; E88-D92 VanDerWaalsContact O-N 3.15Å
89N68.8Low67.7Low99 Ų9999.5 Ų99.553%0.52949%0.494SS..Hα-helixtrans-55.6-25.6174.2-74.8-40.3000112.2E85 M93E85-N89 VanDerWaalsContact O-CB 3.27Å; E85-N89 WeakPolarHBondContact O-CB 3.38Å; E85-N89 PolarHBondContact O-N 2.81Å; E85-N89 PolarHBondContact O-ND2 3.1Å; N89-M93 WeakPolarHBondContact O-CG 3.36Å; N89-M93 PolarHBondContact O-N 2.97Å
90R63.5Low65.3Low75 Ų75107.5 Ų107.528%0.28356%0.561SS.*Hα-helixtrans-78.6-39.4175.2-165.4-166.3-57.1-88.51.3112.7S30 Y87 E88 D92 M93 T94S30-R90 PolarHBondContact O-NH1 2.99Å; Y87-R90 WeakPolarHBondContact O-CB 3.39Å; Y87-R90 PolarHBondContact O-N 2.87Å; E88-R90 PolarHBondContact O-N 2.94Å; R90-D92 VanDerWaalsContact C-N 3.26Å; R90-D92 PolarHBondContact O-N 2.87Å; R90-M93 PolarHBondContact O-N 3.1Å; R90-M93 VanDerWaalsContact O-N 3.1Å; R90-T94 PolarHBondContact O-N 3.19Å; R90-T94 PolarHBondContact O-OG1 3.45Å
91Q57.5Low64Low124 Ų124108.5 Ų108.558%0.57957%0.566SS**Hα-helixtrans-58.3-43.7174.5-74.7-179.320.200110.2Y87 E88 M93 T94 D95Y87-Q91 PolarHBondContact O-N 3.39Å; Y87-Q91 VanDerWaalsContact O-N 3.16Å; E88-Q91 PolarHBondContact O-N 3.36Å; Q91-M93 VanDerWaalsContact C-N 3.29Å; Q91-M93 PolarHBondContact O-N 2.92Å; Q91-T94 WeakPolarHBondContact CA-OG1 3.15Å; Q91-T94 PolarHBondContact O-N 3.28Å; Q91-T94 PolarHBondContact O-OG1 3.32Å; Q91-D95 WeakPolarHBondContact O-CB 3.43Å; Q91-D95 VanDerWaalsContact O-CG 3.24Å; Q91-D95 PolarHBondContact O-N 2.94Å
92D57.1Low62.7Low109 Ų109105.4 Ų105.458%0.58356%0.563SS**Hα-helixtrans-60.4-36.6174.8-69.8-16.1000112.5E88 R90 A96E88-D92 PolarHBondContact O-N 3.15Å; E88-D92 VanDerWaalsContact O-N 3.15Å; R90-D92 VanDerWaalsContact C-N 3.26Å; R90-D92 PolarHBondContact O-N 2.87Å; D92-A96 WeakPolarHBondContact O-CB 3.34Å; D92-A96 PolarHBondContact O-N 2.99Å
93M54.5Low61.3Low131 Ų131110.2 Ų110.265%0.64559%0.589SS**Hα-helixtrans-75.7-36.4177.1-73.1-172.977.700113.8N89 R90 Q91 D95 A96 G97N89-M93 WeakPolarHBondContact O-CG 3.36Å; N89-M93 PolarHBondContact O-N 2.97Å; R90-M93 PolarHBondContact O-N 3.1Å; R90-M93 VanDerWaalsContact O-N 3.1Å; Q91-M93 VanDerWaalsContact C-N 3.29Å; Q91-M93 PolarHBondContact O-N 2.92Å; M93-D95 VanDerWaalsContact C-N 3.31Å; M93-A96 PolarHBondContact O-N 3.28Å; M93-G97 PolarHBondContact O-N 3.49Å
94T52.7Low59.9Low94 Ų94114.8 Ų114.858%0.57762%0.616SS**Hα-helixtrans-68.6-35.117447.20000111.2R90 Q91R90-T94 PolarHBondContact O-N 3.19Å; R90-T94 PolarHBondContact O-OG1 3.45Å; Q91-T94 WeakPolarHBondContact CA-OG1 3.15Å; Q91-T94 PolarHBondContact O-N 3.28Å; Q91-T94 PolarHBondContact O-OG1 3.32Å
95D53Low58.4Low139 Ų139117.6 Ų117.674%0.74363%0.628SS**Hα-helixtrans-76-28177.4-68.9-4.2000111.8Q91 M93Q91-D95 WeakPolarHBondContact O-CB 3.43Å; Q91-D95 VanDerWaalsContact O-CG 3.24Å; Q91-D95 PolarHBondContact O-N 2.94Å; M93-D95 VanDerWaalsContact C-N 3.31Å
96A49.1Very low56.7Low74 Ų74118.7 Ų118.761%0.61264%0.638SS**THydrogen-bonded Turntrans-85.8-1.6176.200000114.9D92 M93D92-A96 WeakPolarHBondContact O-CB 3.34Å; D92-A96 PolarHBondContact O-N 2.99Å; M93-A96 PolarHBondContact O-N 3.28Å
97G41.8Very low55.2Low47 Ų47122.9 Ų122.949%0.48566%0.661SS.*SBendtrans-105.173.9-167.400000116.7M93M93-G97 PolarHBondContact O-N 3.49Å
98W43.3Very low53.7Low239 Ų239124.5 Ų124.591%0.90568%0.681SS**  trans62.895.7138.9-59.624.5000117.3A100W98-A100 PolarHBondContact O-N 3.38Å
99E39.8Very low51.9Low203 Ų203125.8 Ų125.895%0.94970%0.695SS**  trans-56127.5150.6-73.9175.3155.400108.7
100A41.7Very low50.4Low176 Ų176128.3 Ų128.3100%1.45571%0.71SS**  trans-550-175.300000114.6W98W98-A100 PolarHBondContact O-N 3.38Å

Retrieved 100 of 100 residues in 106.5 ms (Link to these results)