A0A087X7B2_POEFO Loading...

Leucine zipper and CTNNBIP1 domain containing

AlphaFold DB , UniProt , Accession A0A087X7B2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 191 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
1M43.3Very low61.9Low244 Ų244113.4 Ų113.4100%1.20262%0.616SS**  019.90-73.6-179.3167.400113.9
2A47Very low63.1Low90 Ų90109.9 Ų109.974%0.74460%0.596SS**  trans-91.61.4-179.100000115.2
3S53.7Low63.9Low96 Ų96106.3 Ų106.367%0.67157%0.571SS**Hα-helixtrans-92.2-17.8-169.9-174.20000114.9
4R56.1Low64.9Low216 Ų216106.1 Ų106.182%0.81557%0.565SS**Hα-helixtrans-76.4-40.2-176.8-75.8-172.5177.3175.5-1.5112.5K6 S7 E8R4-K6 PolarHBondContact O-N 3.26Å; R4-S7 PolarHBondContact O-N 3.49Å; R4-E8 WeakPolarHBondContact O-CG 3.39Å; R4-E8 PolarHBondContact O-N 3.24Å; R4-E8 VanDerWaalsContact O-N 3.1Å
5G62.4Low66.1Low48 Ų48104.9 Ų104.950%0.49556%0.559SS.*Hα-helixtrans-57.2-52177.400000112.3S7 E8 T9G5-S7 VanDerWaalsContact C-N 3.28Å; G5-S7 PolarHBondContact O-N 3.1Å; G5-E8 PolarHBondContact O-N 3.24Å; G5-E8 VanDerWaalsContact O-N 3.14Å; G5-T9 PolarHBondContact O-N 3.35Å; G5-T9 PolarHBondContact O-OG1 3.35Å
6K64.3Low66.8Low168 Ų16898.9 Ų98.973%0.7353%0.527SS*.Hα-helixtrans-58.7-36.2178.6-65.8-172.6176.2-170.80113.8R4 S10R4-K6 PolarHBondContact O-N 3.26Å; K6-S10 WeakPolarHBondContact O-CB 3.36Å; K6-S10 PolarHBondContact O-N 3.29Å
7S64.8Low67.2Low55 Ų5596.9 Ų96.939%0.38551%0.513SS..Hα-helixtrans-70.6-39.3178.1179.50000112.2R4 G5 K11R4-S7 PolarHBondContact O-N 3.49Å; G5-S7 VanDerWaalsContact C-N 3.28Å; G5-S7 PolarHBondContact O-N 3.1Å; S7-K11 WeakPolarHBondContact O-CG 3.36Å; S7-K11 PolarHBondContact O-N 3.03Å
8E68.4Low68.1Low115 Ų11597.2 Ų97.254%0.53751%0.511SS..Hα-helixtrans-72.1-39.7179.4-65.7-67.5111.500110.5R4 G5 S10 K11 L12R4-E8 WeakPolarHBondContact O-CG 3.39Å; R4-E8 PolarHBondContact O-N 3.24Å; R4-E8 VanDerWaalsContact O-N 3.1Å; G5-E8 PolarHBondContact O-N 3.24Å; G5-E8 VanDerWaalsContact O-N 3.14Å; E8-S10 PolarHBondContact O-N 3.06Å; E8-K11 PolarHBondContact O-N 3.46Å; E8-K11 IonicContact OE1-NZ 3.13Å; E8-K11 PolarHBondContact OE1-NZ 3.14Å; E8-K11 VanDerWaalsContact OE1-NZ 3.13Å; E8-L12 WeakPolarHBondContact O-CB 3.32Å; E8-L12 PolarHBondContact O-N 2.91Å
9T70.9Confident68.7Low36 Ų3697.5 Ų97.522%0.22151%0.51CS..Hα-helixtrans-59.4-43.8171.7-50.40000111.8G5 L12 K13 L71G5-T9 PolarHBondContact O-N 3.35Å; G5-T9 PolarHBondContact O-OG1 3.35Å; T9-L12 PolarHBondContact O-N 3.13Å; T9-K13 WeakPolarHBondContact O-CB 3.43Å; T9-K13 PolarHBondContact O-N 3.44Å; T9-L71 HydrophobicContact CG2-CD1 4.12Å; T9-L71 HydrophobicContact CG2-CD2 3.31Å; T9-L71 HydrophobicContact CG2-CG 3.84Å
10S71.7Confident69.1Low75 Ų7592.8 Ų92.852%0.52449%0.485SS..Hα-helixtrans-66.6-37.5177.8-1710000112.9K6 E8 Q14K6-S10 WeakPolarHBondContact O-CB 3.36Å; K6-S10 PolarHBondContact O-N 3.29Å; E8-S10 PolarHBondContact O-N 3.06Å; S10-Q14 PolarHBondContact O-N 3.48Å
11K78.4Confident69.6Low104 Ų10490.6 Ų90.645%0.45247%0.474SS..Hα-helixtrans-69.2-41.7174.9-75.6175.3-173.3168.70111.6S7 E8 K13 Q14 N15S7-K11 WeakPolarHBondContact O-CG 3.36Å; S7-K11 PolarHBondContact O-N 3.03Å; E8-K11 PolarHBondContact O-N 3.46Å; E8-K11 IonicContact OE1-NZ 3.13Å; E8-K11 PolarHBondContact OE1-NZ 3.14Å; E8-K11 VanDerWaalsContact OE1-NZ 3.13Å; K11-K13 VanDerWaalsContact C-N 3.31Å; K11-K13 PolarHBondContact O-N 3.34Å; K11-Q14 PolarHBondContact O-N 2.99Å; K11-N15 PolarHBondContact O-N 2.95Å; K11-N15 PolarHBondContact O-ND2 3.26Å
12L75.6Confident71.5Confident72 Ų7287.2 Ų87.238%0.37745%0.448SS..Hα-helixtrans-58.8-48.3176.3-177.765000109.8E8 T9 Q14 N15 M16 I64E8-L12 WeakPolarHBondContact O-CB 3.32Å; E8-L12 PolarHBondContact O-N 2.91Å; T9-L12 PolarHBondContact O-N 3.13Å; L12-Q14 PolarHBondContact O-N 3.15Å; L12-N15 PolarHBondContact O-N 3.28Å; L12-M16 HydrophobicContact CG-SD 4.17Å; L12-M16 VanDerWaalsContact O-CG 3.23Å; L12-M16 WeakPolarHBondContact O-CG 3.36Å; L12-M16 PolarHBondContact O-N 3.42Å; L12-I64 HydrophobicContact CD2-CG2 4.1Å
13K73.8Confident73Confident63 Ų6383.7 Ų83.727%0.27442%0.416SS..Hα-helixtrans-53.6-50.8173.3175.3-177.6171.5178.60112.3T9 K11 N15 M16 E17 L75T9-K13 WeakPolarHBondContact O-CB 3.43Å; T9-K13 PolarHBondContact O-N 3.44Å; K11-K13 VanDerWaalsContact C-N 3.31Å; K11-K13 PolarHBondContact O-N 3.34Å; K13-N15 VanDerWaalsContact C-N 3.34Å; K13-N15 PolarHBondContact O-N 3.44Å; K13-M16 WeakPolarHBondContact O-CB 3.46Å; K13-M16 PolarHBondContact O-N 2.95Å; K13-M16 VanDerWaalsContact O-N 3.1Å; K13-E17 WeakPolarHBondContact CE-OE1 3.46Å; K13-E17 HydrophobicContact CG-CG 4.43Å; K13-E17 IonicContact NZ-OE1 3.07Å; K13-E17 WeakPolarHBondContact O-CG 3.42Å; K13-E17 PolarHBondContact O-N 2.87Å; K13-L75 HydrophobicContact CB-CD2 4.5Å; K13-L75 HydrophobicContact CG-CD2 4.19Å
14Q78.5Confident74Confident104 Ų10479.3 Ų79.349%0.48639%0.386SS..Hα-helixtrans-60.5-43.9-179.4-173.2-176.1-13.200111.7S10 K11 L12 M16 E17 E18S10-Q14 PolarHBondContact O-N 3.48Å; K11-Q14 PolarHBondContact O-N 2.99Å; L12-Q14 PolarHBondContact O-N 3.15Å; Q14-M16 VanDerWaalsContact C-N 3.25Å; Q14-M16 PolarHBondContact O-N 3.5Å; Q14-E17 PolarHBondContact O-N 2.88Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.43Å; Q14-E18 PolarHBondContact NE2-OE1 3.15Å; Q14-E18 WeakPolarHBondContact O-CB 2.87Å; Q14-E18 VanDerWaalsContact O-CG 3.31Å; Q14-E18 WeakPolarHBondContact O-CG 3.41Å; Q14-E18 PolarHBondContact O-N 2.75Å
15N82.6Confident75Confident88 Ų8874.6 Ų74.647%0.47137%0.373SS..Hα-helixtrans-60.9-37175.7-77.7-74.8000111.8K11 L12 K13 E18 Q19K11-N15 PolarHBondContact O-N 2.95Å; K11-N15 PolarHBondContact O-ND2 3.26Å; L12-N15 PolarHBondContact O-N 3.28Å; K13-N15 VanDerWaalsContact C-N 3.34Å; K13-N15 PolarHBondContact O-N 3.44Å; N15-E18 PolarHBondContact O-N 3.06Å; N15-Q19 WeakPolarHBondContact O-CB 3.38Å; N15-Q19 WeakPolarHBondContact O-CG 3.5Å; N15-Q19 PolarHBondContact O-N 3.03Å
16M76.9Confident75.6Confident9 Ų975.5 Ų75.54%0.04436%0.364CS..Hα-helixtrans-70.6-40.1177.3-68.3-177.5113.400112.1L12 K13 Q14 E18 Q19 L20 F57 L61 I64 L75 M78L12-M16 HydrophobicContact CG-SD 4.17Å; L12-M16 VanDerWaalsContact O-CG 3.23Å; L12-M16 WeakPolarHBondContact O-CG 3.36Å; L12-M16 PolarHBondContact O-N 3.42Å; K13-M16 WeakPolarHBondContact O-CB 3.46Å; K13-M16 PolarHBondContact O-N 2.95Å; K13-M16 VanDerWaalsContact O-N 3.1Å; Q14-M16 VanDerWaalsContact C-N 3.25Å; Q14-M16 PolarHBondContact O-N 3.5Å; M16-E18 VanDerWaalsContact C-N 3.32Å; M16-Q19 PolarHBondContact O-N 3.4Å; M16-L20 PolarHBondContact O-N 3.02Å; M16-F57 HydrophobicContact CB-CE2 4.36Å; M16-F57 HydrophobicContact CB-CZ 3.88Å; M16-F57 HydrophobicContact CE-CE2 4.07Å; M16-F57 HydrophobicContact CE-CZ 4.39Å; M16-F57 HydrophobicContact CG-CE2 4.24Å; M16-F57 HydrophobicContact CG-CZ 4.22Å; M16-F57 WeakPolarHBondContact O-CZ 3.45Å; M16-L61 HydrophobicContact CE-CB 4.37Å; M16-L61 HydrophobicContact CE-CD2 3.17Å; M16-L61 HydrophobicContact CE-CG 3.48Å; M16-L61 VanDerWaalsContact CE-CG 3.48Å; M16-L61 HydrophobicContact SD-CD2 3.63Å; M16-I64 HydrophobicContact CE-CD1 3.58Å; M16-I64 HydrophobicContact SD-CD1 4.35Å; M16-L75 HydrophobicContact SD-CD1 4.25Å; M16-M78 HydrophobicContact CB-CE 4.25Å; M16-M78 HydrophobicContact CB-SD 3.98Å
17E74.4Confident76Confident64 Ų6468.3 Ų68.330%0.29933%0.333SS..Hα-helixtrans-61.2-42.9172.5-72.7178.8174.100110.9K13 Q14 L20 D21 M78K13-E17 WeakPolarHBondContact CE-OE1 3.46Å; K13-E17 HydrophobicContact CG-CG 4.43Å; K13-E17 IonicContact NZ-OE1 3.07Å; K13-E17 WeakPolarHBondContact O-CG 3.42Å; K13-E17 PolarHBondContact O-N 2.87Å; Q14-E17 PolarHBondContact O-N 2.88Å; E17-L20 PolarHBondContact O-N 2.79Å; E17-D21 WeakPolarHBondContact O-CB 3.49Å; E17-D21 PolarHBondContact O-N 2.93Å; E17-M78 HydrophobicContact CB-CE 4Å; E17-M78 HydrophobicContact CG-CE 3.22Å
18E82.1Confident76.2Confident102 Ų10267.8 Ų67.848%0.47733%0.325SS..Hα-helixtrans-66.2-39.4177.3-73.2172-168.900112.2Q14 N15 M16 D21 R22Q14-E18 WeakPolarHBondContact CG-OE1 3.43Å; Q14-E18 PolarHBondContact NE2-OE1 3.15Å; Q14-E18 WeakPolarHBondContact O-CB 2.87Å; Q14-E18 VanDerWaalsContact O-CG 3.31Å; Q14-E18 WeakPolarHBondContact O-CG 3.41Å; Q14-E18 PolarHBondContact O-N 2.75Å; N15-E18 PolarHBondContact O-N 3.06Å; M16-E18 VanDerWaalsContact C-N 3.32Å; E18-D21 PolarHBondContact O-N 3.12Å; E18-R22 WeakPolarHBondContact O-CB 2.98Å; E18-R22 PolarHBondContact O-N 3.42Å
19Q79.7Confident76.5Confident104 Ų10465.9 Ų65.949%0.48632%0.318SS..Hα-helixtrans-65-43174.5-78.9-176.6-5.300111.9N15 M16 R22 L23 F57N15-Q19 WeakPolarHBondContact O-CB 3.38Å; N15-Q19 WeakPolarHBondContact O-CG 3.5Å; N15-Q19 PolarHBondContact O-N 3.03Å; M16-Q19 PolarHBondContact O-N 3.4Å; Q19-R22 PolarHBondContact O-N 3.2Å; Q19-L23 WeakPolarHBondContact O-CG 3.22Å; Q19-L23 PolarHBondContact O-N 3.21Å; Q19-F57 HydrophobicContact CB-CE2 4.07Å; Q19-F57 HydrophobicContact CB-CZ 4.14Å
20L76.8Confident76.3Confident2 Ų265.3 Ų65.31%0.0131%0.314CS..Hα-helixtrans-62.6-50174.3-178.259.4000111.2M16 E17 R22 L23 M24 L54 F57 M78 I82 A100M16-L20 PolarHBondContact O-N 3.02Å; E17-L20 PolarHBondContact O-N 2.79Å; L20-R22 PolarHBondContact O-N 2.79Å; L20-L23 PolarHBondContact O-N 2.81Å; L20-M24 HydrophobicContact CD1-CG 3.88Å; L20-M24 HydrophobicContact CD1-SD 4.22Å; L20-M24 HydrophobicContact CG-CG 4.1Å; L20-M24 WeakPolarHBondContact O-CB 3.47Å; L20-M24 VanDerWaalsContact O-CG 3.22Å; L20-M24 WeakPolarHBondContact O-CG 3.41Å; L20-M24 PolarHBondContact O-N 2.78Å; L20-L54 HydrophobicContact CD1-CD2 3.88Å; L20-F57 HydrophobicContact CB-CE1 4.15Å; L20-M78 HydrophobicContact CD2-CG 3.58Å; L20-M78 HydrophobicContact CD2-SD 4.47Å; L20-I82 HydrophobicContact CD1-CD1 4.11Å; L20-I82 HydrophobicContact CD1-CG1 3.44Å; L20-I82 VanDerWaalsContact CD1-CG1 3.44Å; L20-I82 HydrophobicContact CD2-CD1 4.44Å; L20-I82 HydrophobicContact CD2-CG1 4.17Å; L20-I82 HydrophobicContact CG-CG1 4.42Å; L20-A100 HydrophobicContact CD2-CB 3.44Å; L20-A100 VanDerWaalsContact CD2-CB 3.44Å
21D79.3Confident76Confident48 Ų4865.1 Ų65.126%0.25731%0.305SS..Hα-helixtrans-57.2-39.6179.4-89.7-5.5000111E17 E18 Q25 R97 K101E17-D21 WeakPolarHBondContact O-CB 3.49Å; E17-D21 PolarHBondContact O-N 2.93Å; E18-D21 PolarHBondContact O-N 3.12Å; D21-Q25 VanDerWaalsContact O-CB 3.29Å; D21-Q25 WeakPolarHBondContact O-CB 3.47Å; D21-Q25 PolarHBondContact O-N 3.17Å; D21-R97 WeakPolarHBondContact OD1-CD 3.39Å; D21-R97 WeakPolarHBondContact OD1-CG 3.29Å; D21-K101 WeakPolarHBondContact OD1-CE 3.42Å; D21-K101 IonicContact OD1-NZ 2.78Å; D21-K101 WeakPolarHBondContact OD2-CE 3.33Å; D21-K101 IonicContact OD2-NZ 3.51Å; D21-K101 PolarHBondContact OD2-NZ 2.91Å
22R84.4Confident75.3Confident172 Ų17266.4 Ų66.465%0.64931%0.313SS*.Hα-helixtrans-64.5-48.8176.2-174.1-179.4-179.2-141.7-2.5112.6E18 Q19 L20 M24 Q25 Q26E18-R22 WeakPolarHBondContact O-CB 2.98Å; E18-R22 PolarHBondContact O-N 3.42Å; Q19-R22 PolarHBondContact O-N 3.2Å; L20-R22 PolarHBondContact O-N 2.79Å; R22-M24 VanDerWaalsContact C-N 3.3Å; R22-M24 PolarHBondContact O-N 2.76Å; R22-Q25 PolarHBondContact O-N 3.48Å; R22-Q26 WeakPolarHBondContact O-CG 3.5Å; R22-Q26 PolarHBondContact O-N 3.47Å
23L78.3Confident74.2Confident16 Ų1666.3 Ų66.38%0.08432%0.317CS..Hα-helixtrans-63.9-38.9178.8-70.4171.3000111.3Q19 L20 Q25 Q26 L27 Q53 L54Q19-L23 WeakPolarHBondContact O-CG 3.22Å; Q19-L23 PolarHBondContact O-N 3.21Å; L20-L23 PolarHBondContact O-N 2.81Å; L23-Q25 VanDerWaalsContact C-N 3.35Å; L23-Q26 PolarHBondContact O-N 2.94Å; L23-L27 PolarHBondContact O-N 3.35Å; L23-Q53 HydrophobicContact CD2-CB 3.98Å; L23-L54 HydrophobicContact CB-CD2 4.03Å; L23-L54 HydrophobicContact CB-CG 4.32Å; L23-L54 HydrophobicContact CD1-CD2 3.8Å; L23-L54 HydrophobicContact CD1-CG 4.13Å
24M74.7Confident73Confident5 Ų564.6 Ų64.63%0.02531%0.313CS..Hα-helixtrans-66.5-37.6175.7-69.1-49-47.800112.3L20 R22 L27 Q28 A85 P93 I96L20-M24 HydrophobicContact CD1-CG 3.88Å; L20-M24 HydrophobicContact CD1-SD 4.22Å; L20-M24 HydrophobicContact CG-CG 4.1Å; L20-M24 WeakPolarHBondContact O-CB 3.47Å; L20-M24 VanDerWaalsContact O-CG 3.22Å; L20-M24 WeakPolarHBondContact O-CG 3.41Å; L20-M24 PolarHBondContact O-N 2.78Å; R22-M24 VanDerWaalsContact C-N 3.3Å; R22-M24 PolarHBondContact O-N 2.76Å; M24-L27 HydrophobicContact CE-CD1 4.16Å; M24-L27 PolarHBondContact O-N 2.92Å; M24-L27 HydrophobicContact SD-CD1 4.2Å; M24-Q28 PolarHBondContact O-N 2.82Å; M24-A85 HydrophobicContact SD-CB 4.46Å; M24-P93 HydrophobicContact CE-CB 3.6Å; M24-P93 HydrophobicContact CE-CG 4.46Å; M24-I96 HydrophobicContact CE-CB 3.71Å; M24-I96 HydrophobicContact CE-CD1 3.47Å; M24-I96 VanDerWaalsContact CE-CD1 3.47Å; M24-I96 HydrophobicContact CE-CG1 4.18Å; M24-I96 HydrophobicContact CE-CG2 3.81Å; M24-I96 HydrophobicContact CG-CG2 4.32Å; M24-I96 HydrophobicContact SD-CB 4.19Å; M24-I96 HydrophobicContact SD-CD1 4.28Å; M24-I96 HydrophobicContact SD-CG2 3.58Å; M24-I96 VanDerWaalsContact SD-CG2 3.58Å
25Q77.1Confident71.7Confident116 Ų11670.8 Ų70.854%0.54233%0.332SS..Hα-helixtrans-67.3-38.9174.6-172.1163.62.200111.3D21 R22 L23 L27 Q28 D29D21-Q25 VanDerWaalsContact O-CB 3.29Å; D21-Q25 WeakPolarHBondContact O-CB 3.47Å; D21-Q25 PolarHBondContact O-N 3.17Å; R22-Q25 PolarHBondContact O-N 3.48Å; L23-Q25 VanDerWaalsContact C-N 3.35Å; Q25-L27 VanDerWaalsContact C-N 3.35Å; Q25-L27 PolarHBondContact O-N 3.33Å; Q25-Q28 PolarHBondContact O-N 3.29Å; Q25-D29 WeakPolarHBondContact O-CB 3.5Å; Q25-D29 PolarHBondContact O-N 3.17Å
26Q74.1Confident70.1Confident67 Ų6775 Ų7531%0.31335%0.349SS..Hα-helixtrans-61.9-41.8172.4-70.8176.2-69.600112R22 L23 Q28 D29 L30 T50R22-Q26 WeakPolarHBondContact O-CG 3.5Å; R22-Q26 PolarHBondContact O-N 3.47Å; L23-Q26 PolarHBondContact O-N 2.94Å; Q26-Q28 VanDerWaalsContact C-N 3.34Å; Q26-Q28 PolarHBondContact O-N 3.06Å; Q26-D29 PolarHBondContact O-N 3.39Å; Q26-L30 WeakPolarHBondContact O-CB 3.41Å; Q26-L30 WeakPolarHBondContact O-CG 3.5Å; Q26-L30 PolarHBondContact O-N 2.75Å; Q26-T50 HydrophobicContact CB-CG2 4.42Å
27L72.5Confident68.9Low17 Ų1781.5 Ų81.59%0.08938%0.383CS..Hα-helixtrans-62.3-40.4173.2-74.9176.4000112.3L23 M24 Q25 L30 E31 T50 L54L23-L27 PolarHBondContact O-N 3.35Å; M24-L27 HydrophobicContact CE-CD1 4.16Å; M24-L27 PolarHBondContact O-N 2.92Å; M24-L27 HydrophobicContact SD-CD1 4.2Å; Q25-L27 VanDerWaalsContact C-N 3.35Å; Q25-L27 PolarHBondContact O-N 3.33Å; L27-L30 PolarHBondContact O-N 2.85Å; L27-E31 WeakPolarHBondContact O-CG 3.49Å; L27-E31 PolarHBondContact O-N 3.15Å; L27-T50 HydrophobicContact CD1-CG2 4.5Å; L27-T50 HydrophobicContact CD2-CG2 3.61Å; L27-T50 HydrophobicContact CG-CG2 3.64Å; L27-L54 HydrophobicContact CD1-CD1 3.63Å
28Q70.6Confident67.9Low44 Ų4481.4 Ų81.421%0.20639%0.385CS..Hα-helixtrans-66.1-47.6176.9-178.2177.6-12.600111.8M24 Q25 Q26 L30 E31 E32 P93M24-Q28 PolarHBondContact O-N 2.82Å; Q25-Q28 PolarHBondContact O-N 3.29Å; Q26-Q28 VanDerWaalsContact C-N 3.34Å; Q26-Q28 PolarHBondContact O-N 3.06Å; Q28-L30 PolarHBondContact O-N 3.28Å; Q28-E31 CarbonylContact O-C 3.59Å; Q28-E31 PolarHBondContact O-N 3.17Å; Q28-E32 HydrophobicContact CG-CG 4.46Å; Q28-E32 PolarHBondContact NE2-OE1 3.44Å; Q28-E32 PolarHBondContact O-N 3.34Å; Q28-P93 HydrophobicContact CB-CB 3.99Å; Q28-P93 HydrophobicContact CB-CG 4Å
29D73.4Confident67Low75 Ų7582.6 Ų82.640%0.40139%0.394SS..Hα-helixtrans-60.9-36.9177.8-65.6-16.1000110Q25 Q26 C33Q25-D29 WeakPolarHBondContact O-CB 3.5Å; Q25-D29 PolarHBondContact O-N 3.17Å; Q26-D29 PolarHBondContact O-N 3.39Å; D29-C33 WeakPolarHBondContact O-CB 3.33Å; D29-C33 PolarHBondContact O-N 3.31Å; D29-C33 PolarHBondContact O-SG 2.97Å
30L67.4Low66.2Low25 Ų2585.6 Ų85.613%0.13141%0.408CS..Hα-helixtrans-64.5-44.1170.9-72.5169.4000111.8Q26 L27 Q28 S34 Y43 T46Q26-L30 WeakPolarHBondContact O-CB 3.41Å; Q26-L30 WeakPolarHBondContact O-CG 3.5Å; Q26-L30 PolarHBondContact O-N 2.75Å; L27-L30 PolarHBondContact O-N 2.85Å; Q28-L30 PolarHBondContact O-N 3.28Å; L30-S34 WeakPolarHBondContact O-CB 3.22Å; L30-S34 PolarHBondContact O-N 3.06Å; L30-S34 PolarHBondContact O-OG 3.28Å; L30-Y43 HydrophobicContact CB-CE2 4.3Å; L30-T46 HydrophobicContact CD1-CG2 3.95Å; L30-T46 HydrophobicContact CD2-CG2 3.65Å; L30-T46 HydrophobicContact CG-CG2 4.44Å
31E65.3Low65.8Low71 Ų7193.6 Ų93.633%0.33245%0.446SS..Hα-helixtrans-66.8-32.7176.7-74.8-167.6161.300113.8L27 Q28 S34 P93L27-E31 WeakPolarHBondContact O-CG 3.49Å; L27-E31 PolarHBondContact O-N 3.15Å; Q28-E31 CarbonylContact O-C 3.59Å; Q28-E31 PolarHBondContact O-N 3.17Å; E31-S34 WeakPolarHBondContact CA-OG 3.22Å; E31-S34 PolarHBondContact O-OG 2.96Å; E31-P93 WeakPolarHBondContact OE2-CD 3.46Å
32E63.7Low65.2Low131 Ų13196.2 Ų96.261%0.61246%0.456SS*.Hα-helixtrans-77.9-40176.8-73.2-178.2-162.600112Q28Q28-E32 HydrophobicContact CG-CG 4.46Å; Q28-E32 PolarHBondContact NE2-OE1 3.44Å; Q28-E32 PolarHBondContact O-N 3.34Å
33C52.2Low64.3Low69 Ų6989.9 Ų89.947%0.46643%0.433SS..Hα-helixtrans-78-27.8178.5-70.80000113.9D29 R35 D37D29-C33 WeakPolarHBondContact O-CB 3.33Å; D29-C33 PolarHBondContact O-N 3.31Å; D29-C33 PolarHBondContact O-SG 2.97Å; C33-R35 VanDerWaalsContact C-N 3.31Å; C33-R35 PolarHBondContact O-N 3.36Å; C33-D37 PolarHBondContact O-N 3.35Å
34S49.6Very low63.8Low27 Ų2795.5 Ų95.519%0.18946%0.459CS..THydrogen-bonded Turntrans-74.2-10.5-171.7520000116.3L30 E31 Y43L30-S34 WeakPolarHBondContact O-CB 3.22Å; L30-S34 PolarHBondContact O-N 3.06Å; L30-S34 PolarHBondContact O-OG 3.28Å; E31-S34 WeakPolarHBondContact CA-OG 3.22Å; E31-S34 PolarHBondContact O-OG 2.96Å; S34-Y43 WeakPolarHBondContact OG-CE2 3.28Å
35R49.7Very low63.7Low234 Ų234101.4 Ų101.488%0.88349%0.486SS*.THydrogen-bonded Turntrans-83.8-20.2178.2-109.7-178-165.9144.28114.5C33C33-R35 VanDerWaalsContact C-N 3.31Å; C33-R35 PolarHBondContact O-N 3.36Å
36E50.7Low63.3Low178 Ų17898.1 Ų98.183%0.83247%0.474SS*.THydrogen-bonded Turntrans-124.5-24.8-170.4-66.7-171.316300114.4
37D50.7Low63.2Low144 Ų14497.4 Ų97.477%0.7747%0.47SS*.SBendtrans-129-10-166.1-73.1-36.3000117.8C33C33-D37 PolarHBondContact O-N 3.35Å
38L54.2Low63.4Low63 Ų63102.7 Ų102.733%0.3349%0.492SS..SBendtrans-119142.1-174.3-73.9164.3000113E42L38-E42 HydrophobicContact CD2-CG 4.31Å
39D63.5Low63.7Low126 Ų126105.4 Ų105.467%0.67451%0.505SS*.  trans-65.4142.2171.1-79.5-36.1000110.3E41 E42 Y43D39-E41 PolarHBondContact O-N 3.03Å; D39-E42 PolarHBondContact O-N 3.18Å; D39-Y43 PolarHBondContact O-N 2.9Å
40E61.9Low63.9Low167 Ų167102.2 Ų102.278%0.7849%0.488SS*.Hα-helixtrans-57.3-29.7-172.8-153.9161.8-150.400112.5E44E40-E44 WeakPolarHBondContact O-CG 3.48Å; E40-E44 PolarHBondContact O-N 2.98Å; E40-E44 VanDerWaalsContact O-N 3.15Å
41E68.4Low64.2Low170 Ų170102.5 Ų102.579%0.79449%0.489SS*.Hα-helixtrans-73.3-41177.5-146.2171.8-159.400112.7D39 E44 E45D39-E41 PolarHBondContact O-N 3.03Å; E41-E44 PolarHBondContact O-N 2.82Å; E41-E45 PolarHBondContact O-N 3.26Å
42E65.8Low65Low103 Ų103103.6 Ų103.648%0.48149%0.494SS..Hα-helixtrans-72.5-34178.8-167.8172.8-164.900111.1L38 D39 T46L38-E42 HydrophobicContact CD2-CG 4.31Å; D39-E42 PolarHBondContact O-N 3.18Å; E42-T46 WeakPolarHBondContact O-CB 3.36Å; E42-T46 PolarHBondContact O-N 3.26Å; E42-T46 PolarHBondContact O-OG1 2.96Å
43Y66.3Low65.7Low40 Ų40101.6 Ų101.616%0.15749%0.485CS..Hα-helixtrans-63.1-48.4171171.6-107.8000111.9L30 S34 D39 E45 K47L30-Y43 HydrophobicContact CB-CE2 4.3Å; S34-Y43 WeakPolarHBondContact OG-CE2 3.28Å; D39-Y43 PolarHBondContact O-N 2.9Å; Y43-E45 VanDerWaalsContact C-N 3.33Å; Y43-E45 PolarHBondContact O-N 2.97Å; Y43-K47 HydrophobicContact CE1-CD 3.99Å; Y43-K47 WeakPolarHBondContact O-CB 3.43Å; Y43-K47 PolarHBondContact O-N 3.42Å; Y43-K47 PolarHBondContact OH-NZ 2.84Å; Y43-K47 VanDerWaalsContact OH-NZ 3.08Å
44E67.7Low66.9Low134 Ų13498.3 Ų98.363%0.62646%0.463SS*.Hα-helixtrans-63.3-39.9179.1-79.1-163.6164.100112E40 E41 K48E40-E44 WeakPolarHBondContact O-CG 3.48Å; E40-E44 PolarHBondContact O-N 2.98Å; E40-E44 VanDerWaalsContact O-N 3.15Å; E41-E44 PolarHBondContact O-N 2.82Å; E44-K48 WeakPolarHBondContact O-CB 3.41Å; E44-K48 PolarHBondContact O-N 3.24Å
45E73Confident68.2Low129 Ų129102.1 Ų102.160%0.60348%0.478SS*.Hα-helixtrans-64.5-50.9177.3-169.2169.3-158.400111.8E41 Y43 K47 K48 E49E41-E45 PolarHBondContact O-N 3.26Å; Y43-E45 VanDerWaalsContact C-N 3.33Å; Y43-E45 PolarHBondContact O-N 2.97Å; E45-K47 VanDerWaalsContact C-N 3.32Å; E45-K47 PolarHBondContact O-N 2.72Å; E45-K48 WeakPolarHBondContact O-CB 3.47Å; E45-K48 PolarHBondContact O-N 3.5Å; E45-K48 VanDerWaalsContact O-N 3.11Å; E45-E49 PolarHBondContact O-N 3.09Å
46T69.6Low69.7Low46 Ų4697.5 Ų97.528%0.28247%0.466SS..Hα-helixtrans-65.9-36.8-179.1-46.80000112L30 E42 T50L30-T46 HydrophobicContact CD1-CG2 3.95Å; L30-T46 HydrophobicContact CD2-CG2 3.65Å; L30-T46 HydrophobicContact CG-CG2 4.44Å; E42-T46 WeakPolarHBondContact O-CB 3.36Å; E42-T46 PolarHBondContact O-N 3.26Å; E42-T46 PolarHBondContact O-OG1 2.96Å; T46-T50 PolarHBondContact O-N 3.48Å; T46-T50 VanDerWaalsContact O-N 3.09Å; T46-T50 PolarHBondContact O-OG1 3.48Å
47K70.1Confident71.1Confident53 Ų5389.7 Ų89.723%0.2343%0.43CS..Hα-helixtrans-63.1-44.4172.8-177.3177.5-169.5159.70110.9Y43 E45 T50 L51Y43-K47 HydrophobicContact CE1-CD 3.99Å; Y43-K47 WeakPolarHBondContact O-CB 3.43Å; Y43-K47 PolarHBondContact O-N 3.42Å; Y43-K47 PolarHBondContact OH-NZ 2.84Å; Y43-K47 VanDerWaalsContact OH-NZ 3.08Å; E45-K47 VanDerWaalsContact C-N 3.32Å; E45-K47 PolarHBondContact O-N 2.72Å; K47-T50 PolarHBondContact O-N 3.42Å; K47-L51 HydrophobicContact CG-CD1 4.32Å; K47-L51 WeakPolarHBondContact O-CG 3.31Å; K47-L51 PolarHBondContact O-N 2.9Å
48K77.1Confident72.4Confident127 Ų12783.6 Ų83.655%0.55240%0.397SS*.Hα-helixtrans-62.5-44.1178.6-173.8-175.6172.6-160.50111.4E44 E45 T50 L51 E52E44-K48 WeakPolarHBondContact O-CB 3.41Å; E44-K48 PolarHBondContact O-N 3.24Å; E45-K48 WeakPolarHBondContact O-CB 3.47Å; E45-K48 PolarHBondContact O-N 3.5Å; E45-K48 VanDerWaalsContact O-N 3.11Å; K48-T50 VanDerWaalsContact C-N 3.3Å; K48-T50 PolarHBondContact O-N 3.16Å; K48-L51 WeakPolarHBondContact O-CB 3.45Å; K48-L51 PolarHBondContact O-N 2.86Å; K48-L51 VanDerWaalsContact O-N 3.16Å; K48-E52 VanDerWaalsContact CE-OE1 3.28Å; K48-E52 WeakPolarHBondContact CE-OE1 3.45Å; K48-E52 IonicContact NZ-OE1 3.97Å; K48-E52 WeakPolarHBondContact O-CG 3.4Å; K48-E52 PolarHBondContact O-N 2.84Å
49E78.6Confident73.6Confident102 Ų10285.8 Ų85.848%0.47741%0.406SS..Hα-helixtrans-58.7-41.6174.1-71-170162.300112.2E45 L51 E52 Q53E45-E49 PolarHBondContact O-N 3.09Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.4Å; E49-E52 PolarHBondContact O-N 3.34Å; E49-Q53 WeakPolarHBondContact O-CG 3.23Å; E49-Q53 PolarHBondContact O-N 3.1Å
50T77.4Confident74.3Confident8 Ų882.4 Ų82.45%0.04939%0.392CS..Hα-helixtrans-67.8-34.7178.3-50.40000111.8Q26 L27 T46 K47 K48 L54Q26-T50 HydrophobicContact CB-CG2 4.42Å; L27-T50 HydrophobicContact CD1-CG2 4.5Å; L27-T50 HydrophobicContact CD2-CG2 3.61Å; L27-T50 HydrophobicContact CG-CG2 3.64Å; T46-T50 PolarHBondContact O-N 3.48Å; T46-T50 VanDerWaalsContact O-N 3.09Å; T46-T50 PolarHBondContact O-OG1 3.48Å; K47-T50 PolarHBondContact O-N 3.42Å; K48-T50 VanDerWaalsContact C-N 3.3Å; K48-T50 PolarHBondContact O-N 3.16Å; T50-L54 PolarHBondContact O-N 2.96Å; T50-L54 VanDerWaalsContact O-N 3.11Å
51L73.3Confident74.8Confident30 Ų3074.4 Ų74.416%0.15736%0.355CS..Hα-helixtrans-68.9-39.3173.3-70.2174.5000112.2K47 K48 E49 Q53 L54 E55K47-L51 HydrophobicContact CG-CD1 4.32Å; K47-L51 WeakPolarHBondContact O-CG 3.31Å; K47-L51 PolarHBondContact O-N 2.9Å; K48-L51 WeakPolarHBondContact O-CB 3.45Å; K48-L51 PolarHBondContact O-N 2.86Å; K48-L51 VanDerWaalsContact O-N 3.16Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.4Å; L51-Q53 VanDerWaalsContact C-N 3.34Å; L51-L54 HydrophobicContact CD2-CD1 4.37Å; L51-L54 WeakPolarHBondContact O-CB 3.4Å; L51-L54 PolarHBondContact O-N 3.43Å; L51-E55 PolarHBondContact O-N 3.25Å
52E81.1Confident75.1Confident94 Ų9471.3 Ų71.344%0.43934%0.338SS..Hα-helixtrans-62-41.8174.4-73.8176.4-174.900110.9K48 E49 L54 E55 E56K48-E52 VanDerWaalsContact CE-OE1 3.28Å; K48-E52 WeakPolarHBondContact CE-OE1 3.45Å; K48-E52 IonicContact NZ-OE1 3.97Å; K48-E52 WeakPolarHBondContact O-CG 3.4Å; K48-E52 PolarHBondContact O-N 2.84Å; E49-E52 PolarHBondContact O-N 3.34Å; E52-L54 VanDerWaalsContact C-N 3.33Å; E52-L54 PolarHBondContact O-N 3.25Å; E52-E55 WeakPolarHBondContact O-CB 3.35Å; E52-E55 PolarHBondContact O-N 3.15Å; E52-E55 VanDerWaalsContact O-N 3.11Å; E52-E56 PolarHBondContact O-N 2.65Å
53Q78.9Confident75.6Confident89 Ų8973.5 Ų73.542%0.41635%0.346SS..Hα-helixtrans-62.6-37.9173.8-71.2177.326.900112.9L23 E49 L51 E55 F57L23-Q53 HydrophobicContact CD2-CB 3.98Å; E49-Q53 WeakPolarHBondContact O-CG 3.23Å; E49-Q53 PolarHBondContact O-N 3.1Å; L51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-E55 VanDerWaalsContact C-N 3.32Å; Q53-F57 VanDerWaalsContact O-CB 3.3Å; Q53-F57 WeakPolarHBondContact O-CB 3.48Å; Q53-F57 PolarHBondContact O-N 3.25Å
54L76.9Confident75.8Confident0 Ų074.3 Ų74.30%035%0.353CS..Hα-helixtrans-64.9-36.1173.2-81.9166.9000111.9L20 L23 L27 T50 L51 E52 F57 N58 I82 A85 I86L20-L54 HydrophobicContact CD1-CD2 3.88Å; L23-L54 HydrophobicContact CB-CD2 4.03Å; L23-L54 HydrophobicContact CB-CG 4.32Å; L23-L54 HydrophobicContact CD1-CD2 3.8Å; L23-L54 HydrophobicContact CD1-CG 4.13Å; L27-L54 HydrophobicContact CD1-CD1 3.63Å; T50-L54 PolarHBondContact O-N 2.96Å; T50-L54 VanDerWaalsContact O-N 3.11Å; L51-L54 HydrophobicContact CD2-CD1 4.37Å; L51-L54 WeakPolarHBondContact O-CB 3.4Å; L51-L54 PolarHBondContact O-N 3.43Å; E52-L54 VanDerWaalsContact C-N 3.33Å; E52-L54 PolarHBondContact O-N 3.25Å; L54-F57 PolarHBondContact O-N 2.93Å; L54-N58 WeakPolarHBondContact O-CB 3.04Å; L54-N58 PolarHBondContact O-N 3.38Å; L54-I82 HydrophobicContact CB-CG2 4.28Å; L54-I82 HydrophobicContact CD2-CG1 4.31Å; L54-I82 HydrophobicContact CD2-CG2 4.12Å; L54-I82 VanDerWaalsContact O-CG2 3.31Å; L54-I82 WeakPolarHBondContact O-CG2 3.49Å; L54-A85 HydrophobicContact CD1-CB 4.28Å; L54-I86 HydrophobicContact CB-CD1 4.28Å; L54-I86 HydrophobicContact CB-CG1 3.91Å
55E76.9Confident75.8Confident108 Ų10868.5 Ų68.551%0.50533%0.326SS..Hα-helixtrans-67.6-46.9177.3-170.4168.3-161.500111.8L51 E52 Q53 F57 N58 E59 I86L51-E55 PolarHBondContact O-N 3.25Å; E52-E55 WeakPolarHBondContact O-CB 3.35Å; E52-E55 PolarHBondContact O-N 3.15Å; E52-E55 VanDerWaalsContact O-N 3.11Å; Q53-E55 VanDerWaalsContact C-N 3.32Å; E55-F57 VanDerWaalsContact C-N 3.27Å; E55-F57 PolarHBondContact O-N 2.98Å; E55-N58 WeakPolarHBondContact O-CB 3.31Å; E55-N58 PolarHBondContact O-N 3.48Å; E55-N58 VanDerWaalsContact O-N 3.08Å; E55-E59 PolarHBondContact O-N 3Å; E55-I86 HydrophobicContact CB-CD1 4.04Å
56E81.7Confident75.4Confident137 Ų13768 Ų6864%0.6433%0.332SS*.Hα-helixtrans-60.3-38.4173.9-69.3-172.317400112.2E52 E59 S60E52-E56 PolarHBondContact O-N 2.65Å; E56-E59 PolarHBondContact O-N 3.38Å; E56-S60 WeakPolarHBondContact O-CB 3.31Å; E56-S60 PolarHBondContact O-N 3.29Å; E56-S60 PolarHBondContact O-OG 3.47Å
57F80.3Confident75.1Confident13 Ų1369.2 Ų69.26%0.05735%0.354CS..Hα-helixtrans-65.9-40174.5-175.5-120.9000111.7M16 Q19 L20 Q53 L54 E55 S60 L61 M78 I82M16-F57 HydrophobicContact CB-CE2 4.36Å; M16-F57 HydrophobicContact CB-CZ 3.88Å; M16-F57 HydrophobicContact CE-CE2 4.07Å; M16-F57 HydrophobicContact CE-CZ 4.39Å; M16-F57 HydrophobicContact CG-CE2 4.24Å; M16-F57 HydrophobicContact CG-CZ 4.22Å; M16-F57 WeakPolarHBondContact O-CZ 3.45Å; Q19-F57 HydrophobicContact CB-CE2 4.07Å; Q19-F57 HydrophobicContact CB-CZ 4.14Å; L20-F57 HydrophobicContact CB-CE1 4.15Å; Q53-F57 VanDerWaalsContact O-CB 3.3Å; Q53-F57 WeakPolarHBondContact O-CB 3.48Å; Q53-F57 PolarHBondContact O-N 3.25Å; L54-F57 PolarHBondContact O-N 2.93Å; E55-F57 VanDerWaalsContact C-N 3.27Å; E55-F57 PolarHBondContact O-N 2.98Å; F57-S60 WeakPolarHBondContact O-CB 3.43Å; F57-S60 PolarHBondContact O-N 2.93Å; F57-L61 HydrophobicContact CD1-CD1 3.94Å; F57-L61 HydrophobicContact CE1-CD1 3.63Å; F57-L61 HydrophobicContact CE1-CG 4.4Å; F57-L61 HydrophobicContact CZ-CD1 3.96Å; F57-L61 HydrophobicContact CZ-CG 4.28Å; F57-L61 PolarHBondContact O-N 3.29Å; F57-M78 HydrophobicContact CE1-SD 4.24Å; F57-M78 HydrophobicContact CZ-SD 4.25Å; F57-I82 HydrophobicContact CD1-CD1 3.44Å; F57-I82 VanDerWaalsContact CD1-CD1 3.44Å; F57-I82 HydrophobicContact CD1-CG1 4.27Å; F57-I82 HydrophobicContact CE1-CD1 3.42Å; F57-I82 VanDerWaalsContact CE1-CD1 3.42Å; F57-I82 HydrophobicContact CE1-CG1 4.45Å
58N77.2Confident74.7Confident17 Ų1769.9 Ų69.99%0.09136%0.36CS..Hα-helixtrans-62.1-44.6174.5-162.7-85000112L54 E55 S60 L61 K62 Q79 I82 I86L54-N58 WeakPolarHBondContact O-CB 3.04Å; L54-N58 PolarHBondContact O-N 3.38Å; E55-N58 WeakPolarHBondContact O-CB 3.31Å; E55-N58 PolarHBondContact O-N 3.48Å; E55-N58 VanDerWaalsContact O-N 3.08Å; N58-S60 VanDerWaalsContact C-N 3.28Å; N58-S60 PolarHBondContact O-N 2.88Å; N58-L61 WeakPolarHBondContact O-CB 3.35Å; N58-L61 PolarHBondContact O-N 3.25Å; N58-K62 WeakPolarHBondContact O-CB 3.28Å; N58-K62 PolarHBondContact O-N 2.98Å; N58-Q79 PolarHBondContact ND2-O 3.48Å; N58-I82 HydrophobicContact CB-CG2 3.76Å; N58-I82 WeakPolarHBondContact ND2-CG2 3.22Å; N58-I86 HydrophobicContact CB-CD1 4.17Å
59E79.9Confident73.7Confident108 Ų10871.9 Ų71.951%0.50537%0.373SS..Hα-helixtrans-62.1-39.2176.4-70.4-155.2155.300112E55 E56 K62 K63E55-E59 PolarHBondContact O-N 3Å; E56-E59 PolarHBondContact O-N 3.38Å; E59-K62 PolarHBondContact O-N 3.36Å; E59-K63 WeakPolarHBondContact O-CG 3.47Å; E59-K63 PolarHBondContact O-N 3.23Å
60S78.4Confident73Confident55 Ų5571.4 Ų71.439%0.38538%0.377SS..Hα-helixtrans-65-44.8176.7-61.50000111.4E56 F57 N58 K62 K63 I64E56-S60 WeakPolarHBondContact O-CB 3.31Å; E56-S60 PolarHBondContact O-N 3.29Å; E56-S60 PolarHBondContact O-OG 3.47Å; F57-S60 WeakPolarHBondContact O-CB 3.43Å; F57-S60 PolarHBondContact O-N 2.93Å; N58-S60 VanDerWaalsContact C-N 3.28Å; N58-S60 PolarHBondContact O-N 2.88Å; S60-K62 PolarHBondContact O-N 3.14Å; S60-K63 PolarHBondContact O-N 2.78Å; S60-I64 WeakPolarHBondContact O-CG1 3.44Å; S60-I64 PolarHBondContact O-N 3.43Å; S60-I64 VanDerWaalsContact O-N 3.09Å
61L73.2Confident72.3Confident0 Ų071.3 Ų71.30%038%0.376CS..Hα-helixtrans-56.8-47.8171.5-85.5163.4000111.6M16 F57 N58 K63 I64 M65 L75 M78 I82M16-L61 HydrophobicContact CE-CB 4.37Å; M16-L61 HydrophobicContact CE-CD2 3.17Å; M16-L61 HydrophobicContact CE-CG 3.48Å; M16-L61 VanDerWaalsContact CE-CG 3.48Å; M16-L61 HydrophobicContact SD-CD2 3.63Å; F57-L61 HydrophobicContact CD1-CD1 3.94Å; F57-L61 HydrophobicContact CE1-CD1 3.63Å; F57-L61 HydrophobicContact CE1-CG 4.4Å; F57-L61 HydrophobicContact CZ-CD1 3.96Å; F57-L61 HydrophobicContact CZ-CG 4.28Å; F57-L61 PolarHBondContact O-N 3.29Å; N58-L61 WeakPolarHBondContact O-CB 3.35Å; N58-L61 PolarHBondContact O-N 3.25Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 3.17Å; L61-I64 PolarHBondContact O-N 3.32Å; L61-I64 VanDerWaalsContact O-N 3.16Å; L61-M65 WeakPolarHBondContact O-CB 3.37Å; L61-M65 VanDerWaalsContact O-CG 3.28Å; L61-M65 WeakPolarHBondContact O-CG 3.48Å; L61-M65 PolarHBondContact O-N 2.91Å; L61-L75 HydrophobicContact CD2-CB 4.46Å; L61-L75 HydrophobicContact CD2-CD1 4.1Å; L61-M78 HydrophobicContact CD1-CG 4.34Å; L61-M78 HydrophobicContact CD1-SD 4.12Å; L61-M78 HydrophobicContact CD2-SD 4.12Å; L61-I82 HydrophobicContact CD1-CD1 3.13Å
62K74.2Confident71.9Confident105 Ų10572 Ų7246%0.45738%0.382SS..Hα-helixtrans-60.7-41.9-179.8-164.9175.3-175.8175.50111.7N58 E59 S60 I64 M65 T66N58-K62 WeakPolarHBondContact O-CB 3.28Å; N58-K62 PolarHBondContact O-N 2.98Å; E59-K62 PolarHBondContact O-N 3.36Å; S60-K62 PolarHBondContact O-N 3.14Å; K62-I64 PolarHBondContact O-N 2.86Å; K62-M65 PolarHBondContact O-N 3.48Å; K62-T66 PolarHBondContact O-N 3.16Å; K62-T66 PolarHBondContact O-OG1 3.2Å
63K76.2Confident71.1Confident148 Ų14873.8 Ų73.864%0.64339%0.394SS*.Hα-helixtrans-61.7-42.2175.4-75.2171.2-173.4161.40112E59 S60 L61E59-K63 WeakPolarHBondContact O-CG 3.47Å; E59-K63 PolarHBondContact O-N 3.23Å; S60-K63 PolarHBondContact O-N 2.78Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 3.17Å
64I70.4Confident70.4Confident57 Ų5774.4 Ų74.429%0.29240%0.397SS..Hα-helixtrans-68.5-43.8178.4-68.5164.4000110.9L12 M16 S60 L61 K62 T66 G67 L71L12-I64 HydrophobicContact CD2-CG2 4.1Å; M16-I64 HydrophobicContact CE-CD1 3.58Å; M16-I64 HydrophobicContact SD-CD1 4.35Å; S60-I64 WeakPolarHBondContact O-CG1 3.44Å; S60-I64 PolarHBondContact O-N 3.43Å; S60-I64 VanDerWaalsContact O-N 3.09Å; L61-I64 PolarHBondContact O-N 3.32Å; L61-I64 VanDerWaalsContact O-N 3.16Å; K62-I64 PolarHBondContact O-N 2.86Å; I64-T66 VanDerWaalsContact C-N 3.33Å; I64-T66 PolarHBondContact O-N 3.34Å; I64-G67 PolarHBondContact O-N 3.27Å; I64-L71 HydrophobicContact CG2-CD1 3.86Å
65M66.5Low69.9Low13 Ų1374.5 Ų74.56%0.06440%0.397CS..Hα-helixtrans-66.1-31.4178.7-71.8173.174.500113L61 K62 G67 D68 V72 L75 Q79L61-M65 WeakPolarHBondContact O-CB 3.37Å; L61-M65 VanDerWaalsContact O-CG 3.28Å; L61-M65 WeakPolarHBondContact O-CG 3.48Å; L61-M65 PolarHBondContact O-N 2.91Å; K62-M65 PolarHBondContact O-N 3.48Å; M65-G67 PolarHBondContact O-N 3.29Å; M65-D68 PolarHBondContact O-N 3.15Å; M65-V72 HydrophobicContact CB-CG2 4.2Å; M65-V72 HydrophobicContact CE-CB 4.35Å; M65-V72 HydrophobicContact CE-CG1 4.15Å; M65-V72 WeakPolarHBondContact CE-O 3.47Å; M65-V72 VanDerWaalsContact O-CG2 3.22Å; M65-V72 WeakPolarHBondContact O-CG2 3.49Å; M65-L75 HydrophobicContact CE-CB 4.35Å; M65-L75 HydrophobicContact CG-CB 4.14Å; M65-L75 HydrophobicContact CG-CD1 4.25Å; M65-L75 HydrophobicContact SD-CB 3.93Å; M65-Q79 VanDerWaalsContact CE-OE1 3.26Å; M65-Q79 HydrophobicContact SD-CB 4.15Å; M65-Q79 PolarHBondContact SD-OE1 2.91Å
66T66Low69.4Low118 Ų11870.1 Ų70.172%0.72438%0.382SS*.Hα-helixtrans-64.8-24.9177.6-49.30000112.1K62 I64K62-T66 PolarHBondContact O-N 3.16Å; K62-T66 PolarHBondContact O-OG1 3.2Å; I64-T66 VanDerWaalsContact C-N 3.33Å; I64-T66 PolarHBondContact O-N 3.34Å
67G63.8Low68.8Low72 Ų7263.8 Ų63.874%0.74235%0.353SS*.Hα-helixtrans-91.6-18.1-17700000115.4I64 M65I64-G67 PolarHBondContact O-N 3.27Å; M65-G67 PolarHBondContact O-N 3.29Å
68D60.9Low68.4Low67 Ų6763.5 Ų63.536%0.35835%0.352SS..  trans-142.8100.9-168.7-147.9-17.2000111.4M65 T70 L71 V72M65-D68 PolarHBondContact O-N 3.15Å; D68-T70 PolarHBondContact O-N 3.02Å; D68-T70 VanDerWaalsContact O-N 3.15Å; D68-T70 PolarHBondContact OD1-OG1 3.31Å; D68-L71 HydrophobicContact CB-CB 4.19Å; D68-L71 HydrophobicContact CB-CD1 3.88Å; D68-L71 HydrophobicContact CB-CG 4.19Å; D68-L71 WeakPolarHBondContact O-CB 3.47Å; D68-L71 PolarHBondContact O-N 2.93Å; D68-V72 PolarHBondContact O-N 3.49Å
69M55.4Low68.1Low169 Ų16963.6 Ų63.683%0.83335%0.352SS*.Hα-helixtrans-59.7-28.5-174.7-69.8-169.6-163.100113.1L71 V72M69-L71 VanDerWaalsContact C-N 3.29Å; M69-L71 PolarHBondContact O-N 2.89Å; M69-V72 PolarHBondContact O-N 3.46Å
70T64.5Low67.6Low91 Ų9160.5 Ų60.556%0.55834%0.338SS*.Hα-helixtrans-71.8-26.4177.7570000112.5D68D68-T70 PolarHBondContact O-N 3.02Å; D68-T70 VanDerWaalsContact O-N 3.15Å; D68-T70 PolarHBondContact OD1-OG1 3.31Å
71L62.8Low67.1Low6 Ų657.9 Ų57.93%0.03132%0.32CS..Hα-helixtrans-78.6-21.7176.1-78.3176.6000112.3T9 I64 D68 M69 E74 L75T9-L71 HydrophobicContact CG2-CD1 4.12Å; T9-L71 HydrophobicContact CG2-CD2 3.31Å; T9-L71 HydrophobicContact CG2-CG 3.84Å; I64-L71 HydrophobicContact CG2-CD1 3.86Å; D68-L71 HydrophobicContact CB-CB 4.19Å; D68-L71 HydrophobicContact CB-CD1 3.88Å; D68-L71 HydrophobicContact CB-CG 4.19Å; D68-L71 WeakPolarHBondContact O-CB 3.47Å; D68-L71 PolarHBondContact O-N 2.93Å; M69-L71 VanDerWaalsContact C-N 3.29Å; M69-L71 PolarHBondContact O-N 2.89Å; L71-E74 PolarHBondContact O-N 2.89Å; L71-L75 HydrophobicContact CB-CD1 4.09Å; L71-L75 HydrophobicContact CD2-CD1 3.85Å; L71-L75 HydrophobicContact CD2-CG 4.13Å; L71-L75 HydrophobicContact CG-CD1 4.4Å; L71-L75 WeakPolarHBondContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.44Å
72V64.5Low67Low46 Ų4657.9 Ų57.928%0.27932%0.32SS..Hα-helixtrans-62.5-47.7179.3178.40000111.3M65 D68 M69 G76M65-V72 HydrophobicContact CB-CG2 4.2Å; M65-V72 HydrophobicContact CE-CB 4.35Å; M65-V72 HydrophobicContact CE-CG1 4.15Å; M65-V72 WeakPolarHBondContact CE-O 3.47Å; M65-V72 VanDerWaalsContact O-CG2 3.22Å; M65-V72 WeakPolarHBondContact O-CG2 3.49Å; D68-V72 PolarHBondContact O-N 3.49Å; M69-V72 PolarHBondContact O-N 3.46Å; V72-G76 WeakPolarHBondContact O-CA 3.38Å; V72-G76 PolarHBondContact O-N 3.32Å
73D63.9Low66.7Low130 Ų13054.6 Ų54.670%0.69531%0.306SS*.Hα-helixtrans-68.2-37.7179.4-74.8-28.5000112.2K102D73-K102 PolarHBondContact O-NZ 2.82Å
74E64.7Low66.2Low103 Ų10347.6 Ų47.648%0.48128%0.276SS..Hα-helixtrans-76.6-45.3-177.1-67.7-170.3-176.600112.2L71L71-E74 PolarHBondContact O-N 2.89Å
75L67.1Low66.1Low1 Ų145.1 Ų45.11%0.00526%0.264CS..Hα-helixtrans-90.2-10.7-177.2-59.6177.8000113.8K13 M16 L61 M65 L71 G77 M78 Q79K13-L75 HydrophobicContact CB-CD2 4.5Å; K13-L75 HydrophobicContact CG-CD2 4.19Å; M16-L75 HydrophobicContact SD-CD1 4.25Å; L61-L75 HydrophobicContact CD2-CB 4.46Å; L61-L75 HydrophobicContact CD2-CD1 4.1Å; M65-L75 HydrophobicContact CE-CB 4.35Å; M65-L75 HydrophobicContact CG-CB 4.14Å; M65-L75 HydrophobicContact CG-CD1 4.25Å; M65-L75 HydrophobicContact SD-CB 3.93Å; L71-L75 HydrophobicContact CB-CD1 4.09Å; L71-L75 HydrophobicContact CD2-CD1 3.85Å; L71-L75 HydrophobicContact CD2-CG 4.13Å; L71-L75 HydrophobicContact CG-CD1 4.4Å; L71-L75 WeakPolarHBondContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.44Å; L75-G77 PolarHBondContact O-N 3.41Å; L75-M78 WeakPolarHBondContact O-CB 3.39Å; L75-M78 PolarHBondContact O-N 2.92Å; L75-Q79 PolarHBondContact O-N 3.44Å
76G66.2Low66.1Low17 Ų1746.7 Ų46.718%0.17527%0.272CS..Hα-helixtrans-57-33.9179.700000113.7V72 L80V72-G76 WeakPolarHBondContact O-CA 3.38Å; V72-G76 PolarHBondContact O-N 3.32Å; G76-L80 WeakPolarHBondContact O-CB 3.27Å; G76-L80 WeakPolarHBondContact O-CD1 3.17Å; G76-L80 VanDerWaalsContact O-CG 3.27Å; G76-L80 WeakPolarHBondContact O-CG 3.41Å; G76-L80 PolarHBondContact O-N 3.42Å
77G68.6Low66Low3 Ų342.2 Ų42.23%0.03125%0.246CC..Hα-helixtrans-67.1-38.3174.800000113.1L75 A81L75-G77 PolarHBondContact O-N 3.41Å; G77-A81 WeakPolarHBondContact O-CB 3.27Å; G77-A81 PolarHBondContact O-N 3.36Å
78M71.6Confident66Low7 Ų743.2 Ų43.23%0.03423%0.231CC..Hα-helixtrans-69.1-44.1177-171-173.4-71.600111.1M16 E17 L20 F57 L61 L75 L80 A81 I82M16-M78 HydrophobicContact CB-CE 4.25Å; M16-M78 HydrophobicContact CB-SD 3.98Å; E17-M78 HydrophobicContact CB-CE 4Å; E17-M78 HydrophobicContact CG-CE 3.22Å; L20-M78 HydrophobicContact CD2-CG 3.58Å; L20-M78 HydrophobicContact CD2-SD 4.47Å; F57-M78 HydrophobicContact CE1-SD 4.24Å; F57-M78 HydrophobicContact CZ-SD 4.25Å; L61-M78 HydrophobicContact CD1-CG 4.34Å; L61-M78 HydrophobicContact CD1-SD 4.12Å; L61-M78 HydrophobicContact CD2-SD 4.12Å; L75-M78 WeakPolarHBondContact O-CB 3.39Å; L75-M78 PolarHBondContact O-N 2.92Å; M78-L80 VanDerWaalsContact C-N 3.33Å; M78-L80 PolarHBondContact O-N 2.81Å; M78-A81 WeakPolarHBondContact O-CB 3.43Å; M78-A81 PolarHBondContact O-N 3.16Å; M78-A81 VanDerWaalsContact O-N 3.16Å; M78-I82 HydrophobicContact CG-CD1 3.88Å; M78-I82 WeakPolarHBondContact O-CD1 3.41Å; M78-I82 WeakPolarHBondContact O-CG1 3.44Å; M78-I82 PolarHBondContact O-N 3.01Å
79Q70.7Confident65.8Low19 Ų1940.2 Ų40.29%0.08922%0.216CC..Hα-helixtrans-60.2-44.4176.5-170.8-169.8-9.700111.4N58 M65 L75 A81 I82 Q83N58-Q79 PolarHBondContact ND2-O 3.48Å; M65-Q79 VanDerWaalsContact CE-OE1 3.26Å; M65-Q79 HydrophobicContact SD-CB 4.15Å; M65-Q79 PolarHBondContact SD-OE1 2.91Å; L75-Q79 PolarHBondContact O-N 3.44Å; Q79-A81 VanDerWaalsContact C-N 3.32Å; Q79-A81 PolarHBondContact O-N 3.01Å; Q79-I82 PolarHBondContact O-N 3.01Å; Q79-Q83 WeakPolarHBondContact O-CB 3.36Å; Q79-Q83 PolarHBondContact O-N 2.63Å
80L69.5Low66.1Low44 Ų4432.5 Ų32.523%0.2318%0.177CC..Hα-helixtrans-61.3-41.5175.4-77163.2000111.5G76 M78 Q83 A84 F99 L172G76-L80 WeakPolarHBondContact O-CB 3.27Å; G76-L80 WeakPolarHBondContact O-CD1 3.17Å; G76-L80 VanDerWaalsContact O-CG 3.27Å; G76-L80 WeakPolarHBondContact O-CG 3.41Å; G76-L80 PolarHBondContact O-N 3.42Å; M78-L80 VanDerWaalsContact C-N 3.33Å; M78-L80 PolarHBondContact O-N 2.81Å; L80-Q83 PolarHBondContact O-N 3.01Å; L80-A84 WeakPolarHBondContact O-CB 3.4Å; L80-A84 PolarHBondContact O-N 3.39Å; L80-F99 HydrophobicContact CB-CE1 3.63Å; L80-F99 HydrophobicContact CB-CZ 3.93Å; L80-L172 HydrophobicContact CD2-CD1 3.58Å; L80-L172 HydrophobicContact CD2-CD2 4.29Å; L80-L172 HydrophobicContact CD2-CG 4.46Å
81A67.6Low66.2Low0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-63.8-44.8178.900000112.2G77 M78 Q79 A84 A85 I96 F99 A100G77-A81 WeakPolarHBondContact O-CB 3.27Å; G77-A81 PolarHBondContact O-N 3.36Å; M78-A81 WeakPolarHBondContact O-CB 3.43Å; M78-A81 PolarHBondContact O-N 3.16Å; M78-A81 VanDerWaalsContact O-N 3.16Å; Q79-A81 VanDerWaalsContact C-N 3.32Å; Q79-A81 PolarHBondContact O-N 3.01Å; A81-A84 PolarHBondContact O-N 3.47Å; A81-A85 WeakPolarHBondContact O-CB 3.18Å; A81-A85 PolarHBondContact O-N 3.44Å; A81-I96 HydrophobicContact CB-CG2 4.04Å; A81-F99 HydrophobicContact CB-CD1 3.6Å; A81-F99 HydrophobicContact CB-CE1 4.18Å; A81-A100 HydrophobicContact CB-CB 3.52Å
82I71.1Confident66.4Low0 Ų033.5 Ų33.50%018%0.175CC..Hα-helixtrans-65-44.2177.2-67.9156.3000110.7L20 L54 F57 N58 L61 M78 Q79 A84 A85 I86L20-I82 HydrophobicContact CD1-CD1 4.11Å; L20-I82 HydrophobicContact CD1-CG1 3.44Å; L20-I82 VanDerWaalsContact CD1-CG1 3.44Å; L20-I82 HydrophobicContact CD2-CD1 4.44Å; L20-I82 HydrophobicContact CD2-CG1 4.17Å; L20-I82 HydrophobicContact CG-CG1 4.42Å; L54-I82 HydrophobicContact CB-CG2 4.28Å; L54-I82 HydrophobicContact CD2-CG1 4.31Å; L54-I82 HydrophobicContact CD2-CG2 4.12Å; L54-I82 VanDerWaalsContact O-CG2 3.31Å; L54-I82 WeakPolarHBondContact O-CG2 3.49Å; F57-I82 HydrophobicContact CD1-CD1 3.44Å; F57-I82 VanDerWaalsContact CD1-CD1 3.44Å; F57-I82 HydrophobicContact CD1-CG1 4.27Å; F57-I82 HydrophobicContact CE1-CD1 3.42Å; F57-I82 VanDerWaalsContact CE1-CD1 3.42Å; F57-I82 HydrophobicContact CE1-CG1 4.45Å; N58-I82 HydrophobicContact CB-CG2 3.76Å; N58-I82 WeakPolarHBondContact ND2-CG2 3.22Å; L61-I82 HydrophobicContact CD1-CD1 3.13Å; M78-I82 HydrophobicContact CG-CD1 3.88Å; M78-I82 WeakPolarHBondContact O-CD1 3.41Å; M78-I82 WeakPolarHBondContact O-CG1 3.44Å; M78-I82 PolarHBondContact O-N 3.01Å; Q79-I82 PolarHBondContact O-N 3.01Å; I82-A84 VanDerWaalsContact C-N 3.27Å; I82-A84 PolarHBondContact O-N 2.97Å; I82-A85 WeakPolarHBondContact O-CB 3.34Å; I82-A85 PolarHBondContact O-N 3.48Å; I82-A85 VanDerWaalsContact O-N 3.14Å; I82-I86 HydrophobicContact CG2-CD1 3.71Å; I82-I86 HydrophobicContact CG2-CG1 4.35Å; I82-I86 VanDerWaalsContact O-CG1 3.28Å; I82-I86 WeakPolarHBondContact O-CG1 3.26Å; I82-I86 PolarHBondContact O-N 2.95Å
83Q69.3Low66.6Low36 Ų3631.8 Ų31.817%0.16817%0.165CC..Hα-helixtrans-67.5-33.5-180-154.2177.4-34.100111.7Q79 L80 S87 V168 L172Q79-Q83 WeakPolarHBondContact O-CB 3.36Å; Q79-Q83 PolarHBondContact O-N 2.63Å; L80-Q83 PolarHBondContact O-N 3.01Å; Q83-S87 VanDerWaalsContact O-CB 3.31Å; Q83-S87 WeakPolarHBondContact O-CB 3.37Å; Q83-S87 PolarHBondContact O-N 2.87Å; Q83-S87 PolarHBondContact O-OG 2.89Å; Q83-V168 HydrophobicContact CB-CG1 4.12Å; Q83-V168 HydrophobicContact CG-CG1 3.65Å; Q83-V168 PolarHBondContact NE2-O 3.29Å; Q83-L172 VanDerWaalsContact CD-CD1 3.43Å
84A65.8Low66.9Low0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-68.6-34.7172.600000112.6L80 A81 I82 S87 Q88 A89 F90 F165L80-A84 WeakPolarHBondContact O-CB 3.4Å; L80-A84 PolarHBondContact O-N 3.39Å; A81-A84 PolarHBondContact O-N 3.47Å; I82-A84 VanDerWaalsContact C-N 3.27Å; I82-A84 PolarHBondContact O-N 2.97Å; A84-S87 WeakPolarHBondContact CA-OG 3.46Å; A84-S87 PolarHBondContact O-OG 3.33Å; A84-Q88 PolarHBondContact O-N 3.35Å; A84-A89 PolarHBondContact O-N 3.42Å; A84-F90 HydrophobicContact CB-CD2 3.22Å; A84-F90 HydrophobicContact CB-CE2 3.31Å; A84-F90 HydrophobicContact CB-CG 4.3Å; A84-F90 HydrophobicContact CB-CZ 4.42Å; A84-F90 PolarHBondContact O-N 3.49Å; A84-F165 HydrophobicContact CB-CD2 4.34Å; A84-F165 HydrophobicContact CB-CE2 3.72Å
85A68.3Low67.3Low6 Ų623.7 Ų23.75%0.0512%0.123CC..Hα-helixtrans-65.6-49.417200000111.7M24 L54 A81 I82 S87 Q88 I96M24-A85 HydrophobicContact SD-CB 4.46Å; L54-A85 HydrophobicContact CD1-CB 4.28Å; A81-A85 WeakPolarHBondContact O-CB 3.18Å; A81-A85 PolarHBondContact O-N 3.44Å; I82-A85 WeakPolarHBondContact O-CB 3.34Å; I82-A85 PolarHBondContact O-N 3.48Å; I82-A85 VanDerWaalsContact O-N 3.14Å; A85-S87 VanDerWaalsContact C-N 3.31Å; A85-S87 PolarHBondContact O-N 3.3Å; A85-Q88 PolarHBondContact O-N 2.89Å; A85-Q88 VanDerWaalsContact O-N 3.09Å; A85-I96 HydrophobicContact CB-CD1 3.57Å; A85-I96 HydrophobicContact CB-CG1 4.27Å; A85-I96 HydrophobicContact CB-CG2 4.16Å
86I66.8Low67.6Low45 Ų4523.9 Ų23.923%0.23112%0.124CC..Hα-helixtrans-60.6-41.3179.1-65.5162000111.3L54 E55 N58 I82 Q88L54-I86 HydrophobicContact CB-CD1 4.28Å; L54-I86 HydrophobicContact CB-CG1 3.91Å; E55-I86 HydrophobicContact CB-CD1 4.04Å; N58-I86 HydrophobicContact CB-CD1 4.17Å; I82-I86 HydrophobicContact CG2-CD1 3.71Å; I82-I86 HydrophobicContact CG2-CG1 4.35Å; I82-I86 VanDerWaalsContact O-CG1 3.28Å; I82-I86 WeakPolarHBondContact O-CG1 3.26Å; I82-I86 PolarHBondContact O-N 2.95Å; I86-Q88 PolarHBondContact O-N 3.28Å
87S62.8Low67.9Low24 Ų2427.2 Ų27.217%0.16813%0.131CC..THydrogen-bonded Turntrans-76.63.3-179.956.50000114.7Q83 A84 A85 A89 V168Q83-S87 VanDerWaalsContact O-CB 3.31Å; Q83-S87 WeakPolarHBondContact O-CB 3.37Å; Q83-S87 PolarHBondContact O-N 2.87Å; Q83-S87 PolarHBondContact O-OG 2.89Å; A84-S87 WeakPolarHBondContact CA-OG 3.46Å; A84-S87 PolarHBondContact O-OG 3.33Å; A85-S87 VanDerWaalsContact C-N 3.31Å; A85-S87 PolarHBondContact O-N 3.3Å; S87-A89 PolarHBondContact O-N 2.93Å; S87-V168 WeakPolarHBondContact OG-CG2 3.18Å
88Q62.9Low68.2Low94 Ų9427.5 Ų27.544%0.43913%0.132SC..THydrogen-bonded Turntrans54.321.3-174-50.8-17517.100113.2A84 A85 I86 F90A84-Q88 PolarHBondContact O-N 3.35Å; A85-Q88 PolarHBondContact O-N 2.89Å; A85-Q88 VanDerWaalsContact O-N 3.09Å; I86-Q88 PolarHBondContact O-N 3.28Å; Q88-F90 VanDerWaalsContact C-N 3.25Å
89A57.3Low68.3Low4 Ų427.3 Ų27.33%0.03313%0.131CC..SBendtrans-73.2-26177.500000111.5A84 S87 T161 F165A84-A89 PolarHBondContact O-N 3.42Å; S87-A89 PolarHBondContact O-N 2.93Å; A89-T161 WeakPolarHBondContact O-CG2 3.49Å; A89-F165 HydrophobicContact CB-CB 3.87Å; A89-F165 HydrophobicContact CB-CD2 3.33Å; A89-F165 HydrophobicContact CB-CE2 4.2Å; A89-F165 HydrophobicContact CB-CG 4.01Å
90F63.2Low68.3Low6 Ų627 Ų273%0.02613%0.131CC..  trans-116.6117.9163-60.4-49.8000108.2A84 Q88 V95 I96 F99 E134 A138 F165A84-F90 HydrophobicContact CB-CD2 3.22Å; A84-F90 HydrophobicContact CB-CE2 3.31Å; A84-F90 HydrophobicContact CB-CG 4.3Å; A84-F90 HydrophobicContact CB-CZ 4.42Å; A84-F90 PolarHBondContact O-N 3.49Å; Q88-F90 VanDerWaalsContact C-N 3.25Å; F90-V95 HydrophobicContact CD1-CG1 4.13Å; F90-V95 HydrophobicContact CE1-CG1 4.35Å; F90-I96 HydrophobicContact CB-CD1 3.7Å; F90-I96 HydrophobicContact CB-CG1 3.33Å; F90-I96 HydrophobicContact CD2-CG1 3.83Å; F90-I96 HydrophobicContact CG-CG1 3.96Å; F90-F99 HydrophobicContact CE2-CD1 4.07Å; F90-F99 HydrophobicContact CE2-CE1 4.38Å; F90-F99 HydrophobicContact CE2-CG 4.46Å; F90-E134 HydrophobicContact CD1-CB 3.73Å; F90-E134 HydrophobicContact CD1-CG 3.92Å; F90-E134 HydrophobicContact CE1-CB 4.17Å; F90-E134 VanDerWaalsContact CE1-O 3.23Å; F90-E134 WeakPolarHBondContact CE1-O 3.35Å; F90-A138 HydrophobicContact CE1-CB 4.18Å; F90-A138 HydrophobicContact CZ-CB 3.87Å; F90-F165 HydrophobicContact CE2-CE2 4.02Å; F90-F165 HydrophobicContact CE2-CZ 4.34Å; F90-F165 AromaticContact CZ-CE2 3.96Å; F90-F165 HydrophobicContact CZ-CE2 3.96Å; F90-F165 AromaticContact CZ-CZ 3.98Å; F90-F165 HydrophobicContact CZ-CZ 3.98Å
91K65Low68.5Low105 Ų10528.6 Ų28.646%0.45714%0.136SC..  trans-87.3-25.2171.8-63.9-177.9176.9-174.60110.7P93 E134K91-P93 VanDerWaalsContact O-CD 3.25Å; K91-P93 WeakPolarHBondContact O-CD 3.43Å; K91-E134 WeakPolarHBondContact CB-OE1 3.46Å; K91-E134 PolarHBondContact N-OE1 3.41Å
92T68.2Low68.6Low14 Ų1433.1 Ų33.19%0.08616%0.156CC..  trans-85.7114.1-177.9-45.20000111.6E94 V95 I96 E134T92-E94 HydrophobicContact CG2-CB 4.47Å; T92-E94 PolarHBondContact O-N 2.86Å; T92-V95 HydrophobicContact CG2-CG2 3.97Å; T92-V95 PolarHBondContact O-N 3.02Å; T92-V95 VanDerWaalsContact O-N 3.07Å; T92-I96 PolarHBondContact O-N 2.85Å; T92-E134 WeakPolarHBondContact CB-OE2 3.32Å; T92-E134 PolarHBondContact N-OE2 3.24Å; T92-E134 VanDerWaalsContact N-OE2 3.09Å; T92-E134 PolarHBondContact OG1-OE2 3.21Å
93P68Low68.8Low9 Ų936.3 Ų36.36%0.05817%0.171CC..Hα-helixtrans-58.4-36.4-177.5-2837.8000113.4M24 Q28 E31 K91 V95 I96 R97M24-P93 HydrophobicContact CE-CB 3.6Å; M24-P93 HydrophobicContact CE-CG 4.46Å; Q28-P93 HydrophobicContact CB-CB 3.99Å; Q28-P93 HydrophobicContact CB-CG 4Å; E31-P93 WeakPolarHBondContact OE2-CD 3.46Å; K91-P93 VanDerWaalsContact O-CD 3.25Å; K91-P93 WeakPolarHBondContact O-CD 3.43Å; P93-V95 VanDerWaalsContact C-N 3.34Å; P93-V95 PolarHBondContact O-N 3.37Å; P93-I96 PolarHBondContact O-N 2.7Å; P93-R97 PolarHBondContact O-N 2.91Å
94E69.9Low69.1Low64 Ų6436.1 Ų36.130%0.29917%0.173SC..Hα-helixtrans-68.7-31.6179.9-60.9-169.6112.100113.2T92 R97 L98 R110T92-E94 HydrophobicContact CG2-CB 4.47Å; T92-E94 PolarHBondContact O-N 2.86Å; E94-R97 PolarHBondContact O-N 2.95Å; E94-R97 IonicContact OE1-NH2 2.72Å; E94-L98 WeakPolarHBondContact O-CB 3.38Å; E94-L98 VanDerWaalsContact O-CG 3.26Å; E94-L98 WeakPolarHBondContact O-CG 3.39Å; E94-L98 PolarHBondContact O-N 3.42Å; E94-R110 VanDerWaalsContact CD-NH1 3.27Å; E94-R110 IonicContact OE1-NH1 3.86Å; E94-R110 IonicContact OE2-CZ 3.85Å; E94-R110 IonicContact OE2-NH1 3.3Å; E94-R110 PolarHBondContact OE2-NH1 3.34Å; E94-R110 IonicContact OE2-NH2 2.67Å; E94-R110 PolarHBondContact OE2-NH2 3.45Å
95V72.8Confident69.8Low0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-68.8-41.3176.3178.50000109.9F90 T92 P93 R97 L98 F99 L107 E134 I135 A138F90-V95 HydrophobicContact CD1-CG1 4.13Å; F90-V95 HydrophobicContact CE1-CG1 4.35Å; T92-V95 HydrophobicContact CG2-CG2 3.97Å; T92-V95 PolarHBondContact O-N 3.02Å; T92-V95 VanDerWaalsContact O-N 3.07Å; P93-V95 VanDerWaalsContact C-N 3.34Å; P93-V95 PolarHBondContact O-N 3.37Å; V95-R97 VanDerWaalsContact C-N 3.34Å; V95-R97 PolarHBondContact O-N 3.29Å; V95-L98 PolarHBondContact O-N 3.07Å; V95-F99 WeakPolarHBondContact O-CB 3.41Å; V95-F99 PolarHBondContact O-N 3.13Å; V95-L107 HydrophobicContact CG1-CD2 4.17Å; V95-E134 HydrophobicContact CG1-CB 4.18Å; V95-I135 HydrophobicContact CG1-CG1 4.31Å; V95-I135 HydrophobicContact CG2-CD1 4.48Å; V95-I135 HydrophobicContact CG2-CG1 3.75Å; V95-A138 HydrophobicContact CG1-CB 4.19Å
96I73.8Confident70.3Confident4 Ų442.7 Ų42.72%0.02122%0.215CC..Hα-helixtrans-60-45.7174.4-64.4159.5000110.4M24 A81 A85 F90 T92 P93 F99 A100M24-I96 HydrophobicContact CE-CB 3.71Å; M24-I96 HydrophobicContact CE-CD1 3.47Å; M24-I96 VanDerWaalsContact CE-CD1 3.47Å; M24-I96 HydrophobicContact CE-CG1 4.18Å; M24-I96 HydrophobicContact CE-CG2 3.81Å; M24-I96 HydrophobicContact CG-CG2 4.32Å; M24-I96 HydrophobicContact SD-CB 4.19Å; M24-I96 HydrophobicContact SD-CD1 4.28Å; M24-I96 HydrophobicContact SD-CG2 3.58Å; M24-I96 VanDerWaalsContact SD-CG2 3.58Å; A81-I96 HydrophobicContact CB-CG2 4.04Å; A85-I96 HydrophobicContact CB-CD1 3.57Å; A85-I96 HydrophobicContact CB-CG1 4.27Å; A85-I96 HydrophobicContact CB-CG2 4.16Å; F90-I96 HydrophobicContact CB-CD1 3.7Å; F90-I96 HydrophobicContact CB-CG1 3.33Å; F90-I96 HydrophobicContact CD2-CG1 3.83Å; F90-I96 HydrophobicContact CG-CG1 3.96Å; T92-I96 PolarHBondContact O-N 2.85Å; P93-I96 PolarHBondContact O-N 2.7Å; I96-F99 PolarHBondContact O-N 2.67Å; I96-A100 WeakPolarHBondContact O-CB 3.38Å; I96-A100 PolarHBondContact O-N 3.43Å
97R71.9Confident70.9Confident88 Ų8840.5 Ų40.533%0.33220%0.204SC..Hα-helixtrans-60.4-48.9178.6-171.4179.572.7-162.9-4.6112.1D21 P93 E94 V95 F99 A100 K101D21-R97 WeakPolarHBondContact OD1-CD 3.39Å; D21-R97 WeakPolarHBondContact OD1-CG 3.29Å; P93-R97 PolarHBondContact O-N 2.91Å; E94-R97 PolarHBondContact O-N 2.95Å; E94-R97 IonicContact OE1-NH2 2.72Å; V95-R97 VanDerWaalsContact C-N 3.34Å; V95-R97 PolarHBondContact O-N 3.29Å; R97-F99 VanDerWaalsContact C-N 3.28Å; R97-F99 PolarHBondContact O-N 3.3Å; R97-A100 PolarHBondContact O-N 3.4Å; R97-K101 HydrophobicContact CG-CD 4.43Å; R97-K101 WeakPolarHBondContact O-CG 3.49Å; R97-K101 PolarHBondContact O-N 2.94Å
98L75.5Confident71.7Confident9 Ų944 Ų445%0.04721%0.213CC..Hα-helixtrans-65.6-34.4179.9-69.1176.2000112.1E94 V95 K102 Q103 Q106 L107E94-L98 WeakPolarHBondContact O-CB 3.38Å; E94-L98 VanDerWaalsContact O-CG 3.26Å; E94-L98 WeakPolarHBondContact O-CG 3.39Å; E94-L98 PolarHBondContact O-N 3.42Å; V95-L98 PolarHBondContact O-N 3.07Å; L98-K102 PolarHBondContact O-N 2.87Å; L98-Q103 PolarHBondContact O-N 3.27Å; L98-Q106 HydrophobicContact CD1-CB 4.46Å; L98-Q106 HydrophobicContact CD2-CB 3.74Å; L98-L107 HydrophobicContact CB-CD2 3.66Å; L98-L107 HydrophobicContact CB-CG 3.84Å; L98-L107 HydrophobicContact CD1-CD2 3.91Å; L98-L107 HydrophobicContact CD1-CG 4.36Å; L98-L107 HydrophobicContact CG-CD2 4.46Å
99F73.2Confident72.7Confident2 Ų243.2 Ų43.21%0.00922%0.215CC..Hα-helixtrans-69.8-44.9174.6-178.9-111.9000112.1L80 A81 F90 V95 I96 R97 K101 K102 A138 K141 L142L80-F99 HydrophobicContact CB-CE1 3.63Å; L80-F99 HydrophobicContact CB-CZ 3.93Å; A81-F99 HydrophobicContact CB-CD1 3.6Å; A81-F99 HydrophobicContact CB-CE1 4.18Å; F90-F99 HydrophobicContact CE2-CD1 4.07Å; F90-F99 HydrophobicContact CE2-CE1 4.38Å; F90-F99 HydrophobicContact CE2-CG 4.46Å; V95-F99 WeakPolarHBondContact O-CB 3.41Å; V95-F99 PolarHBondContact O-N 3.13Å; I96-F99 PolarHBondContact O-N 2.67Å; R97-F99 VanDerWaalsContact C-N 3.28Å; R97-F99 PolarHBondContact O-N 3.3Å; F99-K101 VanDerWaalsContact C-N 3.29Å; F99-K101 PolarHBondContact O-N 2.69Å; F99-K102 WeakPolarHBondContact O-CA 3.38Å; F99-K102 PolarHBondContact O-N 3.37Å; F99-A138 HydrophobicContact CB-CB 4.24Å; F99-A138 HydrophobicContact CD2-CB 3.73Å; F99-A138 HydrophobicContact CE2-CB 4.45Å; F99-A138 WeakPolarHBondContact CE2-O 3.41Å; F99-A138 HydrophobicContact CG-CB 4.17Å; F99-K141 HydrophobicContact CE2-CB 3.7Å; F99-K141 HydrophobicContact CZ-CB 3.85Å; F99-L142 HydrophobicContact CD2-CD1 3.97Å; F99-L142 HydrophobicContact CD2-CD2 3.92Å; F99-L142 HydrophobicContact CD2-CG 3.67Å; F99-L142 HydrophobicContact CE2-CD2 3.89Å; F99-L142 HydrophobicContact CE2-CG 3.71Å
100A72.5Confident73.8Confident13 Ų1344.5 Ų44.511%0.10722%0.219CC..Hα-helixtrans-58.9-40.4175.600000112.2L20 A81 I96 R97 K102L20-A100 HydrophobicContact CD2-CB 3.44Å; L20-A100 VanDerWaalsContact CD2-CB 3.44Å; A81-A100 HydrophobicContact CB-CB 3.52Å; I96-A100 WeakPolarHBondContact O-CB 3.38Å; I96-A100 PolarHBondContact O-N 3.43Å; R97-A100 PolarHBondContact O-N 3.4Å; A100-K102 PolarHBondContact O-N 3.03Å
101K73Confident74.6Confident77 Ų7745.1 Ų45.134%0.33522%0.222SC..THydrogen-bonded Turntrans-75.7-1.5176.7-67.8-175.8180-178.70113.6D21 R97 F99 Q103D21-K101 WeakPolarHBondContact OD1-CE 3.42Å; D21-K101 IonicContact OD1-NZ 2.78Å; D21-K101 WeakPolarHBondContact OD2-CE 3.33Å; D21-K101 IonicContact OD2-NZ 3.51Å; D21-K101 PolarHBondContact OD2-NZ 2.91Å; R97-K101 HydrophobicContact CG-CD 4.43Å; R97-K101 WeakPolarHBondContact O-CG 3.49Å; R97-K101 PolarHBondContact O-N 2.94Å; F99-K101 VanDerWaalsContact C-N 3.29Å; F99-K101 PolarHBondContact O-N 2.69Å; K101-Q103 VanDerWaalsContact C-N 3.29Å; K101-Q103 HydrophobicContact CB-CG 3.97Å; K101-Q103 WeakPolarHBondContact O-CG 3.43Å; K101-Q103 PolarHBondContact O-N 3.01Å
102K69.9Low75.5Confident96 Ų9642.2 Ų42.242%0.41722%0.218SC..THydrogen-bonded Turntrans49.547.5-175.5-60-176.2179.41800111.9D73 L98 F99 A100 P104 L142D73-K102 PolarHBondContact O-NZ 2.82Å; L98-K102 PolarHBondContact O-N 2.87Å; F99-K102 WeakPolarHBondContact O-CA 3.38Å; F99-K102 PolarHBondContact O-N 3.37Å; A100-K102 PolarHBondContact O-N 3.03Å; K102-P104 WeakPolarHBondContact O-CD 3.49Å; K102-L142 HydrophobicContact CB-CD2 4.03Å; K102-L142 HydrophobicContact CG-CD2 3.91Å
103Q74.5Confident76.1Confident67 Ų6745.9 Ų45.931%0.31323%0.234SC..  trans-106.874.2-178.2-70.8-179.8-15.500111.8L98 K101 G105 Q106 L107L98-Q103 PolarHBondContact O-N 3.27Å; K101-Q103 VanDerWaalsContact C-N 3.29Å; K101-Q103 HydrophobicContact CB-CG 3.97Å; K101-Q103 WeakPolarHBondContact O-CG 3.43Å; K101-Q103 PolarHBondContact O-N 3.01Å; Q103-G105 VanDerWaalsContact C-N 3.28Å; Q103-G105 PolarHBondContact O-N 2.82Å; Q103-Q106 HydrophobicContact CB-CB 4.16Å; Q103-Q106 HydrophobicContact CB-CG 4.24Å; Q103-Q106 PolarHBondContact O-N 3.35Å; Q103-Q106 VanDerWaalsContact OE1-OE1 3.09Å; Q103-L107 PolarHBondContact O-N 3.07Å
104P76Confident76.5Confident31 Ų3146 Ų4620%0.20123%0.234CC..Hα-helixtrans-65.1-31-177.228.1-35.9000112.9K102 Q106 L107 R108 L139 L142 E144K102-P104 WeakPolarHBondContact O-CD 3.49Å; P104-Q106 VanDerWaalsContact C-N 3.33Å; P104-Q106 PolarHBondContact O-N 2.85Å; P104-L107 WeakPolarHBondContact O-CB 3.47Å; P104-L107 PolarHBondContact O-N 3.44Å; P104-R108 PolarHBondContact O-N 2.79Å; P104-L139 HydrophobicContact CB-CD2 3.73Å; P104-L142 HydrophobicContact CB-CD1 4.13Å; P104-E144 HydrophobicContact CB-CG 3.67Å; P104-E144 WeakPolarHBondContact CB-OE1 3.5Å; P104-E144 HydrophobicContact CG-CG 4.22Å; P104-E144 WeakPolarHBondContact CG-OE1 3.29Å
105G79.9Confident77Confident45 Ų4545.9 Ų45.946%0.46424%0.235SC..Hα-helixtrans-61.6-39.9174.900000112.8Q103 R108 T109Q103-G105 VanDerWaalsContact C-N 3.28Å; Q103-G105 PolarHBondContact O-N 2.82Å; G105-R108 PolarHBondContact O-N 2.97Å; G105-T109 PolarHBondContact O-N 2.93Å; G105-T109 PolarHBondContact O-OG1 3.26Å
106Q78.9Confident77.4Confident99 Ų9952.6 Ų52.646%0.46326%0.261SS..Hα-helixtrans-72.5-35.9176.7-67.4-167.621.100111.9L98 Q103 P104 R108 T109 R110L98-Q106 HydrophobicContact CD1-CB 4.46Å; L98-Q106 HydrophobicContact CD2-CB 3.74Å; Q103-Q106 HydrophobicContact CB-CB 4.16Å; Q103-Q106 HydrophobicContact CB-CG 4.24Å; Q103-Q106 PolarHBondContact O-N 3.35Å; Q103-Q106 VanDerWaalsContact OE1-OE1 3.09Å; P104-Q106 VanDerWaalsContact C-N 3.33Å; P104-Q106 PolarHBondContact O-N 2.85Å; Q106-R108 VanDerWaalsContact C-N 3.31Å; Q106-R108 PolarHBondContact O-N 3.15Å; Q106-T109 PolarHBondContact O-N 3.04Å; Q106-R110 WeakPolarHBondContact O-CB 3.39Å; Q106-R110 PolarHBondContact O-N 3.39Å
107L79.8Confident77.6Confident0 Ų055.4 Ų55.40%028%0.276CS..Hα-helixtrans-59-41.3171.5-76.6170.1000111.7V95 L98 Q103 P104 R110 L111 I135 A138 L139 L142V95-L107 HydrophobicContact CG1-CD2 4.17Å; L98-L107 HydrophobicContact CB-CD2 3.66Å; L98-L107 HydrophobicContact CB-CG 3.84Å; L98-L107 HydrophobicContact CD1-CD2 3.91Å; L98-L107 HydrophobicContact CD1-CG 4.36Å; L98-L107 HydrophobicContact CG-CD2 4.46Å; Q103-L107 PolarHBondContact O-N 3.07Å; P104-L107 WeakPolarHBondContact O-CB 3.47Å; P104-L107 PolarHBondContact O-N 3.44Å; L107-R110 PolarHBondContact O-N 3.28Å; L107-L111 WeakPolarHBondContact O-CB 3.36Å; L107-L111 PolarHBondContact O-N 2.92Å; L107-I135 HydrophobicContact CB-CG2 4.09Å; L107-I135 HydrophobicContact CD2-CG1 4.38Å; L107-I135 HydrophobicContact CD2-CG2 4.22Å; L107-I135 WeakPolarHBondContact O-CG2 3.39Å; L107-A138 HydrophobicContact CD1-CB 4.05Å; L107-L139 HydrophobicContact CB-CD2 3.84Å; L107-L139 HydrophobicContact CB-CG 4.15Å; L107-L139 HydrophobicContact CD1-CD2 4.14Å; L107-L139 HydrophobicContact CD1-CG 4.37Å; L107-L142 HydrophobicContact CD1-CD1 3.67Å
108R80.4Confident78Confident96 Ų9652.7 Ų52.736%0.36227%0.269SS..Hα-helixtrans-66.6-42.3174.8-73.2-175.9178.3-90.8-0.4113P104 G105 Q106 R110 L111 A112 L139 E144 K145P104-R108 PolarHBondContact O-N 2.79Å; G105-R108 PolarHBondContact O-N 2.97Å; Q106-R108 VanDerWaalsContact C-N 3.31Å; Q106-R108 PolarHBondContact O-N 3.15Å; R108-R110 VanDerWaalsContact C-N 3.32Å; R108-R110 PolarHBondContact O-N 2.95Å; R108-L111 WeakPolarHBondContact O-CB 3.17Å; R108-L111 PolarHBondContact O-N 2.65Å; R108-A112 PolarHBondContact O-N 2.67Å; R108-L139 HydrophobicContact CG-CD1 4.18Å; R108-L139 HydrophobicContact CG-CD2 4.33Å; R108-E144 IonicContact CZ-OE2 2.75Å; R108-E144 IonicContact NE-OE2 3.21Å; R108-E144 PolarHBondContact NE-OE2 2.89Å; R108-E144 IonicContact NH2-OE2 3.83Å; R108-E144 PolarHBondContact NH2-OE2 3.37Å; R108-K145 PolarHBondContact NH2-O 3.14Å
109T83.4Confident77.9Confident79 Ų7960.5 Ų60.549%0.48531%0.307SS..Hα-helixtrans-60.7-44.6175.4-59.50000110.9G105 Q106 A112 E113G105-T109 PolarHBondContact O-N 2.93Å; G105-T109 PolarHBondContact O-OG1 3.26Å; Q106-T109 PolarHBondContact O-N 3.04Å; T109-A112 PolarHBondContact O-N 3.37Å; T109-E113 PolarHBondContact O-N 3.44Å
110R80Confident78.2Confident31 Ų3165.2 Ų65.212%0.11734%0.336CS..Hα-helixtrans-60.6-45.4175.9-170.4-160.6-179.786.43.5111.4E94 Q106 L107 R108 A112 E113 M114 I135E94-R110 VanDerWaalsContact CD-NH1 3.27Å; E94-R110 IonicContact OE1-NH1 3.86Å; E94-R110 IonicContact OE2-CZ 3.85Å; E94-R110 IonicContact OE2-NH1 3.3Å; E94-R110 PolarHBondContact OE2-NH1 3.34Å; E94-R110 IonicContact OE2-NH2 2.67Å; E94-R110 PolarHBondContact OE2-NH2 3.45Å; Q106-R110 WeakPolarHBondContact O-CB 3.39Å; Q106-R110 PolarHBondContact O-N 3.39Å; L107-R110 PolarHBondContact O-N 3.28Å; R108-R110 VanDerWaalsContact C-N 3.32Å; R108-R110 PolarHBondContact O-N 2.95Å; R110-A112 VanDerWaalsContact C-N 3.27Å; R110-A112 PolarHBondContact O-N 3.34Å; R110-E113 WeakPolarHBondContact O-CB 3.45Å; R110-E113 PolarHBondContact O-N 3.2Å; R110-E113 VanDerWaalsContact O-N 3.15Å; R110-M114 WeakPolarHBondContact O-CB 3.41Å; R110-M114 VanDerWaalsContact O-CG 3.28Å; R110-M114 WeakPolarHBondContact O-CG 3.18Å; R110-M114 PolarHBondContact O-N 2.9Å; R110-I135 HydrophobicContact CG-CD1 4.17Å
111L80.3Confident78.3Confident18 Ų1867.6 Ų67.69%0.09436%0.362CS..Hα-helixtrans-56-43.8175.7-174.868.3000111.4L107 R108 M114 D115 K132 I135 L136L107-L111 WeakPolarHBondContact O-CB 3.36Å; L107-L111 PolarHBondContact O-N 2.92Å; R108-L111 WeakPolarHBondContact O-CB 3.17Å; R108-L111 PolarHBondContact O-N 2.65Å; L111-M114 WeakPolarHBondContact O-CB 3.33Å; L111-M114 PolarHBondContact O-N 2.9Å; L111-D115 PolarHBondContact O-N 3.39Å; L111-K132 HydrophobicContact CD1-CB 4.2Å; L111-K132 HydrophobicContact CD1-CD 4.15Å; L111-K132 HydrophobicContact CD1-CG 3.77Å; L111-I135 HydrophobicContact CB-CG2 4.13Å; L111-I135 HydrophobicContact CD1-CD1 4.41Å; L111-I135 HydrophobicContact CD1-CG2 4.39Å; L111-L136 HydrophobicContact CD2-CD2 3.86Å
112A82.7Confident78.2Confident45 Ų4571.7 Ų71.737%0.37238%0.379SS..Hα-helixtrans-68.7-35.1177.600000113.2R108 T109 R110 R116R108-A112 PolarHBondContact O-N 2.67Å; T109-A112 PolarHBondContact O-N 3.37Å; R110-A112 VanDerWaalsContact C-N 3.27Å; R110-A112 PolarHBondContact O-N 3.34Å; A112-R116 WeakPolarHBondContact O-CG 3.37Å; A112-R116 PolarHBondContact O-N 3.07Å; A112-R116 VanDerWaalsContact O-N 3.16Å
113E81.9Confident78.2Confident91 Ų9168.8 Ų68.843%0.42537%0.368SS..Hα-helixtrans-63.3-46.7172.2-78.8171.8174.600111.4T109 R110 R116 D117T109-E113 PolarHBondContact O-N 3.44Å; R110-E113 WeakPolarHBondContact O-CB 3.45Å; R110-E113 PolarHBondContact O-N 3.2Å; R110-E113 VanDerWaalsContact O-N 3.15Å; E113-R116 WeakPolarHBondContact O-CA 3.28Å; E113-R116 WeakPolarHBondContact O-CB 3.5Å; E113-R116 PolarHBondContact O-N 3.33Å; E113-R116 VanDerWaalsContact O-N 3.14Å; E113-D117 PolarHBondContact O-N 3.35Å
114M77.3Confident78.3Confident10 Ų1068.8 Ų68.85%0.04938%0.375CS..Hα-helixtrans-61.3-45176.8-74.2-162.162.500113.3R110 L111 R116 D117 V118 M123 Q131 I135R110-M114 WeakPolarHBondContact O-CB 3.41Å; R110-M114 VanDerWaalsContact O-CG 3.28Å; R110-M114 WeakPolarHBondContact O-CG 3.18Å; R110-M114 PolarHBondContact O-N 2.9Å; L111-M114 WeakPolarHBondContact O-CB 3.33Å; L111-M114 PolarHBondContact O-N 2.9Å; M114-R116 PolarHBondContact O-N 2.87Å; M114-D117 PolarHBondContact O-N 2.93Å; M114-D117 VanDerWaalsContact O-N 3.15Å; M114-V118 PolarHBondContact O-N 3.35Å; M114-M123 HydrophobicContact CB-CE 4.1Å; M114-M123 HydrophobicContact CE-CE 3.47Å; M114-M123 VanDerWaalsContact CE-CE 3.47Å; M114-M123 HydrophobicContact CE-SD 3.61Å; M114-M123 HydrophobicContact CG-CE 4.49Å; M114-M123 VanDerWaalsContact O-CE 3.31Å; M114-M123 WeakPolarHBondContact O-CE 3.48Å; M114-Q131 HydrophobicContact CE-CB 3.28Å; M114-Q131 HydrophobicContact CE-CG 4.02Å; M114-Q131 HydrophobicContact SD-CB 3.62Å; M114-Q131 HydrophobicContact SD-CG 4.48Å; M114-Q131 PolarHBondContact SD-OE1 2.89Å; M114-I135 HydrophobicContact SD-CD1 3.64Å
115D79.9Confident78.2Confident62 Ų6276.6 Ų76.633%0.33240%0.401SS..Hα-helixtrans-59.1-38.1175.1-76.4-24.7000110.8L111 M119 H128 K132L111-D115 PolarHBondContact O-N 3.39Å; D115-M119 WeakPolarHBondContact O-CB 3.31Å; D115-M119 PolarHBondContact O-N 3.44Å; D115-M119 VanDerWaalsContact O-N 3.13Å; D115-H128 IonicContact OD1-CD2 3.89Å; D115-H128 IonicContact OD1-CE1 2.67Å; D115-H128 PolarHBondContact OD1-CE1 2.93Å; D115-H128 VanDerWaalsContact OD1-CE1 3.3Å; D115-H128 IonicContact OD1-NE2 2.65Å; D115-H128 PolarHBondContact OD1-NE2 3.42Å; D115-K132 IonicContact OD1-NZ 3.98Å
116R81.5Confident77.9Confident142 Ų14280.1 Ų80.154%0.53641%0.409SS..Hα-helixtrans-67.3-42.2173.2-73.2-172.2-62.2-132.63.9112.4A112 E113 M114 V118 M119 V120A112-R116 WeakPolarHBondContact O-CG 3.37Å; A112-R116 PolarHBondContact O-N 3.07Å; A112-R116 VanDerWaalsContact O-N 3.16Å; E113-R116 WeakPolarHBondContact O-CA 3.28Å; E113-R116 WeakPolarHBondContact O-CB 3.5Å; E113-R116 PolarHBondContact O-N 3.33Å; E113-R116 VanDerWaalsContact O-N 3.14Å; M114-R116 PolarHBondContact O-N 2.87Å; R116-V118 VanDerWaalsContact C-N 3.33Å; R116-V118 PolarHBondContact O-N 3.41Å; R116-M119 CarbonylContact O-C 3.5Å; R116-M119 WeakPolarHBondContact O-CB 3.48Å; R116-M119 PolarHBondContact O-N 3.08Å; R116-V120 WeakPolarHBondContact O-CB 3.31Å; R116-V120 VanDerWaalsContact O-CG2 3.28Å; R116-V120 WeakPolarHBondContact O-CG2 3.5Å; R116-V120 PolarHBondContact O-N 2.88Å
117D76.8Confident77.6Confident62 Ų6278.3 Ų78.333%0.33240%0.404SS..Hα-helixtrans-66.4-33.5-178.6-75.4-28.7000112.7E113 M114 G121 K122 M123E113-D117 PolarHBondContact O-N 3.35Å; M114-D117 PolarHBondContact O-N 2.93Å; M114-D117 VanDerWaalsContact O-N 3.15Å; D117-G121 PolarHBondContact O-N 2.93Å; D117-G121 VanDerWaalsContact O-N 3.17Å; D117-K122 HydrophobicContact CB-CB 4.35Å; D117-K122 PolarHBondContact O-N 3.46Å; D117-M123 HydrophobicContact CB-CB 4.31Å; D117-M123 HydrophobicContact CB-CE 4.38Å; D117-M123 PolarHBondContact O-N 3.45Å
118V79.9Confident77.6Confident32 Ų3279.3 Ų79.319%0.19441%0.409CS..Hα-helixtrans-65-45.6166.9177.30000111.4M114 R116 V120 G121 M123 R125 H128M114-V118 PolarHBondContact O-N 3.35Å; R116-V118 VanDerWaalsContact C-N 3.33Å; R116-V118 PolarHBondContact O-N 3.41Å; V118-V120 PolarHBondContact O-N 2.82Å; V118-G121 PolarHBondContact O-N 3.37Å; V118-M123 HydrophobicContact CG2-CB 4.39Å; V118-M123 HydrophobicContact CG2-CE 3.38Å; V118-R125 HydrophobicContact CG1-CG 4.18Å; V118-H128 HydrophobicContact CG2-CB 3.34Å; V118-H128 WeakPolarHBondContact CG2-CD2 3.5Å
119M73.6Confident77.4Confident172 Ų17276.3 Ų76.385%0.84740%0.401SS*.Hα-helixtrans-63.7-33-177.3-166.1174.3-172.900112.1D115 R116 G121D115-M119 WeakPolarHBondContact O-CB 3.31Å; D115-M119 PolarHBondContact O-N 3.44Å; D115-M119 VanDerWaalsContact O-N 3.13Å; R116-M119 CarbonylContact O-C 3.5Å; R116-M119 WeakPolarHBondContact O-CB 3.48Å; R116-M119 PolarHBondContact O-N 3.08Å; M119-G121 VanDerWaalsContact C-N 3.3Å
120V80Confident77Confident102 Ų10277.5 Ų77.562%0.61840%0.401SS*.THydrogen-bonded Turntrans-84.5-4.9175.6-179.10000111.9R116 V118 K122R116-V120 WeakPolarHBondContact O-CB 3.31Å; R116-V120 VanDerWaalsContact O-CG2 3.28Å; R116-V120 WeakPolarHBondContact O-CG2 3.5Å; R116-V120 PolarHBondContact O-N 2.88Å; V118-V120 PolarHBondContact O-N 2.82Å; V120-K122 VanDerWaalsContact C-N 3.32Å; V120-K122 HydrophobicContact CG1-CD 4.47Å; V120-K122 HydrophobicContact CG1-CG 4.25Å; V120-K122 PolarHBondContact O-N 3.25Å
121G74.1Confident76.7Confident62 Ų6278 Ų7864%0.63941%0.405SS*.THydrogen-bonded Turntrans76.414.8177.300000114.6D117 V118 M119 M123D117-G121 PolarHBondContact O-N 2.93Å; D117-G121 VanDerWaalsContact O-N 3.17Å; V118-G121 PolarHBondContact O-N 3.37Å; M119-G121 VanDerWaalsContact C-N 3.3Å; G121-M123 VanDerWaalsContact C-N 3.32Å
122K72.3Confident76.7Confident163 Ų16378.8 Ų78.871%0.70941%0.408SS*.SBendtrans-78-17.3176.5-72.8-176.7176.6-178.80113.2D117 V120D117-K122 HydrophobicContact CB-CB 4.35Å; D117-K122 PolarHBondContact O-N 3.46Å; V120-K122 VanDerWaalsContact C-N 3.32Å; V120-K122 HydrophobicContact CG1-CD 4.47Å; V120-K122 HydrophobicContact CG1-CG 4.25Å; V120-K122 PolarHBondContact O-N 3.25Å
123M69.2Low76.5Confident36 Ų3677.7 Ų77.718%0.17740%0.395CS..SBendtrans-134.1139.6-176.3-170175.351.800110.9M114 D117 V118 G121 V127 H128M114-M123 HydrophobicContact CB-CE 4.1Å; M114-M123 HydrophobicContact CE-CE 3.47Å; M114-M123 VanDerWaalsContact CE-CE 3.47Å; M114-M123 HydrophobicContact CE-SD 3.61Å; M114-M123 HydrophobicContact CG-CE 4.49Å; M114-M123 VanDerWaalsContact O-CE 3.31Å; M114-M123 WeakPolarHBondContact O-CE 3.48Å; D117-M123 HydrophobicContact CB-CB 4.31Å; D117-M123 HydrophobicContact CB-CE 4.38Å; D117-M123 PolarHBondContact O-N 3.45Å; V118-M123 HydrophobicContact CG2-CB 4.39Å; V118-M123 HydrophobicContact CG2-CE 3.38Å; G121-M123 VanDerWaalsContact C-N 3.32Å; M123-V127 HydrophobicContact CG-CB 4.1Å; M123-V127 HydrophobicContact CG-CG1 4.11Å; M123-V127 HydrophobicContact SD-CB 4.49Å; M123-V127 HydrophobicContact SD-CG1 4.03Å; M123-H128 HydrophobicContact CE-CB 3.8Å
124S77.4Confident76.2Confident66 Ų6673.9 Ų73.946%0.46238%0.377SS..  trans-69.5148175.3-173.90000111.3D126 V127 H128S124-D126 PolarHBondContact O-N 3.47Å; S124-V127 PolarHBondContact O-N 3.32Å; S124-H128 PolarHBondContact O-N 2.94Å
125R74Confident76.3Confident196 Ų19673.4 Ų73.474%0.7438%0.375SS*.Hα-helixtrans-60.6-30.3176.9-76.6-176.2176.6-176.4-1.4112.8V118 T129V118-R125 HydrophobicContact CG1-CG 4.18Å; R125-T129 WeakPolarHBondContact O-CB 3.23Å; R125-T129 PolarHBondContact O-N 2.99Å; R125-T129 PolarHBondContact O-OG1 2.84Å
126D71.7Confident76.3Confident119 Ų11970.4 Ų70.464%0.63636%0.359SS*.Hα-helixtrans-68.5-44.9178.8-59.4-54.9000111.8S124 H128 T129 Q130S124-D126 PolarHBondContact O-N 3.47Å; D126-H128 VanDerWaalsContact C-N 3.32Å; D126-H128 PolarHBondContact O-N 3.32Å; D126-T129 PolarHBondContact O-N 3.46Å; D126-Q130 PolarHBondContact O-N 2.98Å; D126-Q130 VanDerWaalsContact O-N 3.08Å
127V73Confident75.9Confident60 Ų6064.6 Ų64.636%0.36434%0.339SS..Hα-helixtrans-65.2-40.6176.9-179.70000110.3M123 S124 Q130 Q131M123-V127 HydrophobicContact CG-CB 4.1Å; M123-V127 HydrophobicContact CG-CG1 4.11Å; M123-V127 HydrophobicContact SD-CB 4.49Å; M123-V127 HydrophobicContact SD-CG1 4.03Å; S124-V127 PolarHBondContact O-N 3.32Å; V127-Q130 PolarHBondContact O-N 3.01Å; V127-Q131 HydrophobicContact CG1-CG 4.48Å; V127-Q131 WeakPolarHBondContact O-CB 3.49Å; V127-Q131 WeakPolarHBondContact O-CG 3.17Å; V127-Q131 PolarHBondContact O-N 3.02Å
128H79.4Confident75.8Confident22 Ų2261.6 Ų61.610%0.10232%0.323CS..Hα-helixtrans-59.9-47.4173.8176.8-107.9000112.7D115 V118 M123 S124 D126 Q130 Q131 K132D115-H128 IonicContact OD1-CD2 3.89Å; D115-H128 IonicContact OD1-CE1 2.67Å; D115-H128 PolarHBondContact OD1-CE1 2.93Å; D115-H128 VanDerWaalsContact OD1-CE1 3.3Å; D115-H128 IonicContact OD1-NE2 2.65Å; D115-H128 PolarHBondContact OD1-NE2 3.42Å; V118-H128 HydrophobicContact CG2-CB 3.34Å; V118-H128 WeakPolarHBondContact CG2-CD2 3.5Å; M123-H128 HydrophobicContact CE-CB 3.8Å; S124-H128 PolarHBondContact O-N 2.94Å; D126-H128 VanDerWaalsContact C-N 3.32Å; D126-H128 PolarHBondContact O-N 3.32Å; H128-Q130 VanDerWaalsContact C-N 3.32Å; H128-Q130 PolarHBondContact O-N 2.85Å; H128-Q131 PolarHBondContact O-N 3.15Å; H128-K132 WeakPolarHBondContact O-CA 3.22Å; H128-K132 WeakPolarHBondContact O-CB 3.45Å; H128-K132 PolarHBondContact O-N 3.44Å
129T77.2Confident75.6Confident33 Ų3360.2 Ų60.220%0.20232%0.315CS..Hα-helixtrans-61.6-44.1-178.5-54.50000110.1R125 D126 M133 F153 N157R125-T129 WeakPolarHBondContact O-CB 3.23Å; R125-T129 PolarHBondContact O-N 2.99Å; R125-T129 PolarHBondContact O-OG1 2.84Å; D126-T129 PolarHBondContact O-N 3.46Å; T129-M133 HydrophobicContact CG2-CE 4.15Å; T129-M133 WeakPolarHBondContact O-CB 3.46Å; T129-M133 VanDerWaalsContact O-CG 3.29Å; T129-M133 WeakPolarHBondContact O-CG 3.37Å; T129-M133 PolarHBondContact O-N 2.87Å; T129-F153 HydrophobicContact CG2-CE1 4.38Å; T129-F153 HydrophobicContact CG2-CZ 3.72Å; T129-N157 HydrophobicContact CG2-CB 4.45Å; T129-N157 VanDerWaalsContact CG2-OD1 3.27Å; T129-N157 WeakPolarHBondContact CG2-OD1 3.31Å
130Q74.3Confident75.7Confident103 Ų10358.7 Ų58.748%0.48130%0.3SS..Hα-helixtrans-60.5-55.3176.5-74.5-176.5-8.800112.5D126 V127 H128 K132 M133 E134D126-Q130 PolarHBondContact O-N 2.98Å; D126-Q130 VanDerWaalsContact O-N 3.08Å; V127-Q130 PolarHBondContact O-N 3.01Å; H128-Q130 VanDerWaalsContact C-N 3.32Å; H128-Q130 PolarHBondContact O-N 2.85Å; Q130-K132 VanDerWaalsContact C-N 3.35Å; Q130-K132 PolarHBondContact O-N 3.31Å; Q130-M133 HydrophobicContact CG-CE 4.48Å; Q130-M133 WeakPolarHBondContact O-CB 3.28Å; Q130-M133 PolarHBondContact O-N 3.32Å; Q130-E134 WeakPolarHBondContact O-CG 3.36Å; Q130-E134 PolarHBondContact O-N 3Å; Q130-E134 VanDerWaalsContact O-N 3.08Å
131Q74.7Confident75.2Confident43 Ų4357.8 Ų57.820%0.20129%0.287CS..Hα-helixtrans-68.9-32.8-177.4-70-167.8-9.900112.7M114 V127 H128 E134 I135M114-Q131 HydrophobicContact CE-CB 3.28Å; M114-Q131 HydrophobicContact CE-CG 4.02Å; M114-Q131 HydrophobicContact SD-CB 3.62Å; M114-Q131 HydrophobicContact SD-CG 4.48Å; M114-Q131 PolarHBondContact SD-OE1 2.89Å; V127-Q131 HydrophobicContact CG1-CG 4.48Å; V127-Q131 WeakPolarHBondContact O-CB 3.49Å; V127-Q131 WeakPolarHBondContact O-CG 3.17Å; V127-Q131 PolarHBondContact O-N 3.02Å; H128-Q131 PolarHBondContact O-N 3.15Å; Q131-E134 WeakPolarHBondContact O-CB 3.35Å; Q131-E134 PolarHBondContact O-N 3.06Å; Q131-I135 VanDerWaalsContact O-CG1 3.31Å; Q131-I135 WeakPolarHBondContact O-CG1 3.3Å; Q131-I135 PolarHBondContact O-N 2.91Å
132K80.7Confident75Confident33 Ų3357 Ų5714%0.14327%0.268CS..Hα-helixtrans-62.6-44.7172.5178159.3-177166.20110.8L111 D115 H128 Q130 E134 I135 L136 F153L111-K132 HydrophobicContact CD1-CB 4.2Å; L111-K132 HydrophobicContact CD1-CD 4.15Å; L111-K132 HydrophobicContact CD1-CG 3.77Å; D115-K132 IonicContact OD1-NZ 3.98Å; H128-K132 WeakPolarHBondContact O-CA 3.22Å; H128-K132 WeakPolarHBondContact O-CB 3.45Å; H128-K132 PolarHBondContact O-N 3.44Å; Q130-K132 VanDerWaalsContact C-N 3.35Å; Q130-K132 PolarHBondContact O-N 3.31Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3Å; K132-I135 PolarHBondContact O-N 3.24Å; K132-L136 HydrophobicContact CG-CD1 3.74Å; K132-L136 HydrophobicContact CG-CG 4.2Å; K132-L136 WeakPolarHBondContact O-CB 3.31Å; K132-L136 WeakPolarHBondContact O-CG 3.41Å; K132-L136 PolarHBondContact O-N 2.85Å; K132-F153 HydrophobicContact CB-CE1 4.07Å; K132-F153 HydrophobicContact CB-CZ 4.38Å; K132-F153 HydrophobicContact CD-CD1 4.36Å; K132-F153 HydrophobicContact CD-CE1 3.88Å; K132-F153 HydrophobicContact CD-CE2 4.42Å; K132-F153 HydrophobicContact CD-CZ 3.9Å; K132-F153 HydrophobicContact CG-CD1 4.13Å; K132-F153 HydrophobicContact CG-CE1 3.6Å; K132-F153 HydrophobicContact CG-CZ 4.07Å
133M77.7Confident74.7Confident22 Ų2252.4 Ų52.411%0.10827%0.267CS..Hα-helixtrans-58.8-43.7173.5-76.5-171.6-76.200112.1T129 Q130 T137 F153 N157T129-M133 HydrophobicContact CG2-CE 4.15Å; T129-M133 WeakPolarHBondContact O-CB 3.46Å; T129-M133 VanDerWaalsContact O-CG 3.29Å; T129-M133 WeakPolarHBondContact O-CG 3.37Å; T129-M133 PolarHBondContact O-N 2.87Å; Q130-M133 HydrophobicContact CG-CE 4.48Å; Q130-M133 WeakPolarHBondContact O-CB 3.28Å; Q130-M133 PolarHBondContact O-N 3.32Å; M133-T137 WeakPolarHBondContact O-CB 3.32Å; M133-T137 PolarHBondContact O-N 3.46Å; M133-T137 PolarHBondContact O-OG1 3.48Å; M133-F153 HydrophobicContact CG-CE1 3.94Å; M133-N157 HydrophobicContact CE-CB 4.28Å; M133-N157 HydrophobicContact CG-CB 4.01Å; M133-N157 HydrophobicContact SD-CB 3.35Å; M133-N157 WeakPolarHBondContact SD-CB 3.44Å
134E76.5Confident74.9Confident11 Ų1153.7 Ų53.75%0.05127%0.272CS..Hα-helixtrans-60.6-49.6178.4-69.9-177.4-17900111.5F90 K91 T92 V95 Q130 Q131 K132 T137 A138F90-E134 HydrophobicContact CD1-CB 3.73Å; F90-E134 HydrophobicContact CD1-CG 3.92Å; F90-E134 HydrophobicContact CE1-CB 4.17Å; F90-E134 VanDerWaalsContact CE1-O 3.23Å; F90-E134 WeakPolarHBondContact CE1-O 3.35Å; K91-E134 WeakPolarHBondContact CB-OE1 3.46Å; K91-E134 PolarHBondContact N-OE1 3.41Å; T92-E134 WeakPolarHBondContact CB-OE2 3.32Å; T92-E134 PolarHBondContact N-OE2 3.24Å; T92-E134 VanDerWaalsContact N-OE2 3.09Å; T92-E134 PolarHBondContact OG1-OE2 3.21Å; V95-E134 HydrophobicContact CG1-CB 4.18Å; Q130-E134 WeakPolarHBondContact O-CG 3.36Å; Q130-E134 PolarHBondContact O-N 3Å; Q130-E134 VanDerWaalsContact O-N 3.08Å; Q131-E134 WeakPolarHBondContact O-CB 3.35Å; Q131-E134 PolarHBondContact O-N 3.06Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3Å; E134-T137 PolarHBondContact O-N 3.09Å; E134-A138 WeakPolarHBondContact O-CB 3.43Å; E134-A138 PolarHBondContact O-N 3.37Å
135I79.3Confident74.6Confident0 Ų059.6 Ų59.60%029%0.29CS..Hα-helixtrans-64.2-45.6-179.7-66.3163.8000111.4V95 L107 R110 L111 M114 Q131 K132 T137 A138 L139V95-I135 HydrophobicContact CG1-CG1 4.31Å; V95-I135 HydrophobicContact CG2-CD1 4.48Å; V95-I135 HydrophobicContact CG2-CG1 3.75Å; L107-I135 HydrophobicContact CB-CG2 4.09Å; L107-I135 HydrophobicContact CD2-CG1 4.38Å; L107-I135 HydrophobicContact CD2-CG2 4.22Å; L107-I135 WeakPolarHBondContact O-CG2 3.39Å; R110-I135 HydrophobicContact CG-CD1 4.17Å; L111-I135 HydrophobicContact CB-CG2 4.13Å; L111-I135 HydrophobicContact CD1-CD1 4.41Å; L111-I135 HydrophobicContact CD1-CG2 4.39Å; M114-I135 HydrophobicContact SD-CD1 3.64Å; Q131-I135 VanDerWaalsContact O-CG1 3.31Å; Q131-I135 WeakPolarHBondContact O-CG1 3.3Å; Q131-I135 PolarHBondContact O-N 2.91Å; K132-I135 PolarHBondContact O-N 3.24Å; I135-T137 VanDerWaalsContact C-N 3.32Å; I135-T137 PolarHBondContact O-N 3.39Å; I135-A138 PolarHBondContact O-N 2.8Å; I135-L139 HydrophobicContact CG2-CD1 3.95Å; I135-L139 HydrophobicContact CG2-CG 4.39Å; I135-L139 WeakPolarHBondContact O-CB 3.36Å; I135-L139 VanDerWaalsContact O-CG 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.47Å; I135-L139 PolarHBondContact O-N 3.48Å
136L78.5Confident74.6Confident0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-65.3-38.4179.6-66.8176.9000111.5L111 K132 L139 R140 L146 D150 F153 L154L111-L136 HydrophobicContact CD2-CD2 3.86Å; K132-L136 HydrophobicContact CG-CD1 3.74Å; K132-L136 HydrophobicContact CG-CG 4.2Å; K132-L136 WeakPolarHBondContact O-CB 3.31Å; K132-L136 WeakPolarHBondContact O-CG 3.41Å; K132-L136 PolarHBondContact O-N 2.85Å; L136-L139 HydrophobicContact CD2-CD1 4.42Å; L136-L139 PolarHBondContact O-N 2.97Å; L136-R140 PolarHBondContact O-N 3.17Å; L136-L146 HydrophobicContact CB-CD2 4.23Å; L136-L146 HydrophobicContact CD2-CD2 3.84Å; L136-D150 HydrophobicContact CD1-CB 3.89Å; L136-D150 HydrophobicContact CD2-CB 3.79Å; L136-D150 VanDerWaalsContact CD2-CG 3.44Å; L136-D150 WeakPolarHBondContact CD2-OD1 3.46Å; L136-D150 HydrophobicContact CG-CB 4.39Å; L136-F153 HydrophobicContact CD1-CD1 3.88Å; L136-L154 HydrophobicContact CB-CD1 4.02Å; L136-L154 HydrophobicContact CB-CD2 3.96Å; L136-L154 HydrophobicContact CB-CG 4.07Å; L136-L154 HydrophobicContact CD1-CG 4.41Å
137T73.5Confident74.8Confident19 Ų1948.1 Ų48.112%0.11725%0.245CC..Hα-helixtrans-65-42.7174.9-60.40000111.4M133 E134 I135 R140 K141 F165M133-T137 WeakPolarHBondContact O-CB 3.32Å; M133-T137 PolarHBondContact O-N 3.46Å; M133-T137 PolarHBondContact O-OG1 3.48Å; E134-T137 PolarHBondContact O-N 3.09Å; I135-T137 VanDerWaalsContact C-N 3.32Å; I135-T137 PolarHBondContact O-N 3.39Å; T137-R140 PolarHBondContact O-N 3.5Å; T137-K141 PolarHBondContact O-N 2.86Å; T137-K141 VanDerWaalsContact O-N 3.14Å; T137-F165 HydrophobicContact CG2-CD1 3.41Å; T137-F165 VanDerWaalsContact CG2-CD1 3.41Å; T137-F165 HydrophobicContact CG2-CE1 3.17Å; T137-F165 HydrophobicContact CG2-CG 4.24Å; T137-F165 HydrophobicContact CG2-CZ 3.85Å
138A74.1Confident74.8Confident0 Ų050.1 Ų50.10%026%0.259CS..Hα-helixtrans-61.5-44.8174.300000111.7F90 V95 F99 L107 E134 I135 R140 K141 L142F90-A138 HydrophobicContact CE1-CB 4.18Å; F90-A138 HydrophobicContact CZ-CB 3.87Å; V95-A138 HydrophobicContact CG1-CB 4.19Å; F99-A138 HydrophobicContact CB-CB 4.24Å; F99-A138 HydrophobicContact CD2-CB 3.73Å; F99-A138 HydrophobicContact CE2-CB 4.45Å; F99-A138 WeakPolarHBondContact CE2-O 3.41Å; F99-A138 HydrophobicContact CG-CB 4.17Å; L107-A138 HydrophobicContact CD1-CB 4.05Å; E134-A138 WeakPolarHBondContact O-CB 3.43Å; E134-A138 PolarHBondContact O-N 3.37Å; I135-A138 PolarHBondContact O-N 2.8Å; A138-R140 PolarHBondContact O-N 3.34Å; A138-K141 PolarHBondContact O-N 3.36Å; A138-L142 WeakPolarHBondContact O-CG 3.38Å; A138-L142 PolarHBondContact O-N 2.79Å
139L77.6Confident74.5Confident2 Ų256.6 Ų56.61%0.0129%0.29CS..Hα-helixtrans-60.7-43.6176.3-74.5170.1000112P104 L107 R108 I135 L136 K141 L142 G143 E144 L146P104-L139 HydrophobicContact CB-CD2 3.73Å; L107-L139 HydrophobicContact CB-CD2 3.84Å; L107-L139 HydrophobicContact CB-CG 4.15Å; L107-L139 HydrophobicContact CD1-CD2 4.14Å; L107-L139 HydrophobicContact CD1-CG 4.37Å; R108-L139 HydrophobicContact CG-CD1 4.18Å; R108-L139 HydrophobicContact CG-CD2 4.33Å; I135-L139 HydrophobicContact CG2-CD1 3.95Å; I135-L139 HydrophobicContact CG2-CG 4.39Å; I135-L139 WeakPolarHBondContact O-CB 3.36Å; I135-L139 VanDerWaalsContact O-CG 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.47Å; I135-L139 PolarHBondContact O-N 3.48Å; L136-L139 HydrophobicContact CD2-CD1 4.42Å; L136-L139 PolarHBondContact O-N 2.97Å; L139-K141 VanDerWaalsContact C-N 3.3Å; L139-K141 PolarHBondContact O-N 3.42Å; L139-L142 PolarHBondContact O-N 3.43Å; L139-G143 PolarHBondContact O-N 3.5Å; L139-E144 HydrophobicContact CD2-CB 4.49Å; L139-E144 HydrophobicContact CD2-CG 4.45Å; L139-E144 WeakPolarHBondContact O-CB 3.03Å; L139-E144 PolarHBondContact O-N 3.02Å; L139-E144 VanDerWaalsContact O-N 3.12Å; L139-L146 HydrophobicContact CB-CD2 4.06Å
140R75.1Confident74.4Confident141 Ų14155.9 Ų55.953%0.53228%0.284SS..Hα-helixtrans-57.8-41.8175.6-164.1172.4172.7179.2-3.5112.2L136 T137 A138 G143 L146L136-R140 PolarHBondContact O-N 3.17Å; T137-R140 PolarHBondContact O-N 3.5Å; A138-R140 PolarHBondContact O-N 3.34Å; R140-G143 PolarHBondContact O-N 3.05Å; R140-G143 VanDerWaalsContact O-N 3.17Å; R140-L146 HydrophobicContact CB-CD1 3.65Å; R140-L146 HydrophobicContact CB-CG 4.38Å; R140-L146 HydrophobicContact CG-CD1 3.84Å
141K69.1Low74.2Confident83 Ų8354.2 Ų54.236%0.36128%0.279SS..Hα-helixtrans-75.3-28.2-179.8-70.9-59.7-171.5-176.20113.8F99 T137 A138 L139 G143 F165 T169F99-K141 HydrophobicContact CE2-CB 3.7Å; F99-K141 HydrophobicContact CZ-CB 3.85Å; T137-K141 PolarHBondContact O-N 2.86Å; T137-K141 VanDerWaalsContact O-N 3.14Å; A138-K141 PolarHBondContact O-N 3.36Å; L139-K141 VanDerWaalsContact C-N 3.3Å; L139-K141 PolarHBondContact O-N 3.42Å; K141-G143 PolarHBondContact O-N 3.44Å; K141-F165 HydrophobicContact CD-CE1 4.06Å; K141-F165 HydrophobicContact CD-CZ 4.45Å; K141-F165 HydrophobicContact CG-CE1 3.57Å; K141-F165 HydrophobicContact CG-CZ 3.71Å; K141-T169 WeakPolarHBondContact CE-OG1 3.41Å; K141-T169 PolarHBondContact NZ-OG1 2.86Å
142L68.9Low74.1Confident46 Ų4655.7 Ų55.724%0.24129%0.291CS..THydrogen-bonded Turntrans-70.2-2.1168.5-69172000112.6F99 K102 P104 L107 A138 L139 E144F99-L142 HydrophobicContact CD2-CD1 3.97Å; F99-L142 HydrophobicContact CD2-CD2 3.92Å; F99-L142 HydrophobicContact CD2-CG 3.67Å; F99-L142 HydrophobicContact CE2-CD2 3.89Å; F99-L142 HydrophobicContact CE2-CG 3.71Å; K102-L142 HydrophobicContact CB-CD2 4.03Å; K102-L142 HydrophobicContact CG-CD2 3.91Å; P104-L142 HydrophobicContact CB-CD1 4.13Å; L107-L142 HydrophobicContact CD1-CD1 3.67Å; A138-L142 WeakPolarHBondContact O-CG 3.38Å; A138-L142 PolarHBondContact O-N 2.79Å; L139-L142 PolarHBondContact O-N 3.43Å; L142-E144 VanDerWaalsContact C-N 3.3Å
143G67.5Low73.8Confident65 Ų6556 Ų5667%0.6729%0.292SS*.THydrogen-bonded Turntrans77.615.5179.900000113.4L139 R140 K141L139-G143 PolarHBondContact O-N 3.5Å; R140-G143 PolarHBondContact O-N 3.05Å; R140-G143 VanDerWaalsContact O-N 3.17Å; K141-G143 PolarHBondContact O-N 3.44Å
144E72.1Confident73.5Confident64 Ų6455.2 Ų55.230%0.29929%0.288SS..  trans-74.6146174.1-82.5-123.7165.500111.6P104 R108 L139 L142 L146P104-E144 HydrophobicContact CB-CG 3.67Å; P104-E144 WeakPolarHBondContact CB-OE1 3.5Å; P104-E144 HydrophobicContact CG-CG 4.22Å; P104-E144 WeakPolarHBondContact CG-OE1 3.29Å; R108-E144 IonicContact CZ-OE2 2.75Å; R108-E144 IonicContact NE-OE2 3.21Å; R108-E144 PolarHBondContact NE-OE2 2.89Å; R108-E144 IonicContact NH2-OE2 3.83Å; R108-E144 PolarHBondContact NH2-OE2 3.37Å; L139-E144 HydrophobicContact CD2-CB 4.49Å; L139-E144 HydrophobicContact CD2-CG 4.45Å; L139-E144 WeakPolarHBondContact O-CB 3.03Å; L139-E144 PolarHBondContact O-N 3.02Å; L139-E144 VanDerWaalsContact O-N 3.12Å; L142-E144 VanDerWaalsContact C-N 3.3Å; E144-L146 PolarHBondContact O-N 3.43Å; E144-L146 VanDerWaalsContact O-N 3.15Å
145K71.6Confident73.1Confident189 Ų18958.2 Ų58.282%0.82232%0.315SS*.  trans-73.1108.6172.9-66.8-175.8-179.7-179.70108.9R108R108-K145 PolarHBondContact NH2-O 3.14Å
146L74Confident72.6Confident23 Ų2365.2 Ų65.212%0.1235%0.348CS..  trans-67.6151.2165.3-69.1173.5000109.7L136 L139 R140 E144 D150 D151 L154L136-L146 HydrophobicContact CB-CD2 4.23Å; L136-L146 HydrophobicContact CD2-CD2 3.84Å; L139-L146 HydrophobicContact CB-CD2 4.06Å; R140-L146 HydrophobicContact CB-CD1 3.65Å; R140-L146 HydrophobicContact CB-CG 4.38Å; R140-L146 HydrophobicContact CG-CD1 3.84Å; E144-L146 PolarHBondContact O-N 3.43Å; E144-L146 VanDerWaalsContact O-N 3.15Å; L146-D150 HydrophobicContact CB-CB 4.19Å; L146-D150 HydrophobicContact CD2-CB 4.15Å; L146-D151 WeakPolarHBondContact CD1-OD1 3.49Å; L146-L154 HydrophobicContact CD1-CD1 3.63Å
147T77Confident71.9Confident52 Ų5267.1 Ų67.132%0.31936%0.358SS..  trans-75.1154.1170.765.30000109.4E149 D150 D151T147-E149 PolarHBondContact O-N 3.08Å; T147-E149 VanDerWaalsContact O-N 3.15Å; T147-D150 PolarHBondContact N-OD2 3.04Å; T147-D150 WeakPolarHBondContact O-CB 3.43Å; T147-D150 PolarHBondContact O-N 3.02Å; T147-D150 PolarHBondContact OG1-N 2.63Å; T147-D150 PolarHBondContact OG1-OD2 3.14Å; T147-D151 PolarHBondContact O-N 3.11Å
148P71.6Confident71.1Confident102 Ų10269 Ų6966%0.66238%0.375SS*.Hα-helixtrans-59.4-25.5176.221.7-31.9000112.8T152P148-T152 WeakPolarHBondContact O-CB 3.4Å; P148-T152 PolarHBondContact O-N 3.09Å; P148-T152 VanDerWaalsContact O-N 3.07Å; P148-T152 PolarHBondContact O-OG1 2.82Å
149E73.1Confident70.3Confident158 Ų15873.3 Ų73.374%0.73840%0.402SS*.Hα-helixtrans-68.3-42.3172.6-67.4166.1-171.900111.4T147 T152 F153T147-E149 PolarHBondContact O-N 3.08Å; T147-E149 VanDerWaalsContact O-N 3.15Å; E149-T152 PolarHBondContact O-N 2.84Å; E149-F153 WeakPolarHBondContact O-CB 3.45Å; E149-F153 PolarHBondContact O-N 3.31Å
150D75.4Confident69.1Low18 Ų1876.5 Ų76.510%0.09643%0.429CS..Hα-helixtrans-67.8-39.2176-64-40.9000112.5L136 L146 T147 T152 F153 L154L136-D150 HydrophobicContact CD1-CB 3.89Å; L136-D150 HydrophobicContact CD2-CB 3.79Å; L136-D150 VanDerWaalsContact CD2-CG 3.44Å; L136-D150 WeakPolarHBondContact CD2-OD1 3.46Å; L136-D150 HydrophobicContact CG-CB 4.39Å; L146-D150 HydrophobicContact CB-CB 4.19Å; L146-D150 HydrophobicContact CD2-CB 4.15Å; T147-D150 PolarHBondContact N-OD2 3.04Å; T147-D150 WeakPolarHBondContact O-CB 3.43Å; T147-D150 PolarHBondContact O-N 3.02Å; T147-D150 PolarHBondContact OG1-N 2.63Å; T147-D150 PolarHBondContact OG1-OD2 3.14Å; D150-T152 VanDerWaalsContact C-N 3.33Å; D150-F153 PolarHBondContact O-N 3.48Å; D150-L154 WeakPolarHBondContact O-CB 3.27Å; D150-L154 WeakPolarHBondContact O-CG 3.34Å; D150-L154 PolarHBondContact O-N 3Å
151D69.6Low68Low68 Ų6872 Ų7236%0.36442%0.417SS..Hα-helixtrans-65.6-38.8175.7-86.4-33.2000111.5L146 T147 L154 A155L146-D151 WeakPolarHBondContact CD1-OD1 3.49Å; T147-D151 PolarHBondContact O-N 3.11Å; D151-L154 PolarHBondContact O-N 3.46Å; D151-A155 WeakPolarHBondContact O-CB 3.31Å; D151-A155 PolarHBondContact O-N 3.17Å
152T72.8Confident67.3Low74 Ų7469.6 Ų69.645%0.45441%0.408SS..Hα-helixtrans-65.6-43.4174.1-53.40000110.3P148 E149 D150 L154 A155 E156P148-T152 WeakPolarHBondContact O-CB 3.4Å; P148-T152 PolarHBondContact O-N 3.09Å; P148-T152 VanDerWaalsContact O-N 3.07Å; P148-T152 PolarHBondContact O-OG1 2.82Å; E149-T152 PolarHBondContact O-N 2.84Å; D150-T152 VanDerWaalsContact C-N 3.33Å; T152-L154 PolarHBondContact O-N 2.72Å; T152-A155 PolarHBondContact O-N 3.01Å; T152-A155 VanDerWaalsContact O-N 3.15Å; T152-E156 HydrophobicContact CG2-CG 4.29Å; T152-E156 WeakPolarHBondContact O-CB 3.49Å; T152-E156 VanDerWaalsContact O-CG 3.32Å; T152-E156 WeakPolarHBondContact O-CG 3.43Å; T152-E156 PolarHBondContact O-N 3.37Å
153F74.1Confident66.6Low39 Ų3970.2 Ų70.217%0.17142%0.416CS..Hα-helixtrans-61.2-42.1176.5-174.1-92.5000112.4T129 K132 M133 L136 E149 D150 A155 N157T129-F153 HydrophobicContact CG2-CE1 4.38Å; T129-F153 HydrophobicContact CG2-CZ 3.72Å; K132-F153 HydrophobicContact CB-CE1 4.07Å; K132-F153 HydrophobicContact CB-CZ 4.38Å; K132-F153 HydrophobicContact CD-CD1 4.36Å; K132-F153 HydrophobicContact CD-CE1 3.88Å; K132-F153 HydrophobicContact CD-CE2 4.42Å; K132-F153 HydrophobicContact CD-CZ 3.9Å; K132-F153 HydrophobicContact CG-CD1 4.13Å; K132-F153 HydrophobicContact CG-CE1 3.6Å; K132-F153 HydrophobicContact CG-CZ 4.07Å; M133-F153 HydrophobicContact CG-CE1 3.94Å; L136-F153 HydrophobicContact CD1-CD1 3.88Å; E149-F153 WeakPolarHBondContact O-CB 3.45Å; E149-F153 PolarHBondContact O-N 3.31Å; D150-F153 PolarHBondContact O-N 3.48Å; F153-A155 VanDerWaalsContact C-N 3.34Å; F153-N157 WeakPolarHBondContact O-CB 3.44Å; F153-N157 PolarHBondContact O-N 2.79Å; F153-N157 PolarHBondContact O-ND2 3.02Å
154L71.3Confident66Low5 Ų571.8 Ų71.83%0.02641%0.406CS..Hα-helixtrans-64.8-37.3174.6-76.6175000112.2L136 L146 D150 D151 T152 A158 L162L136-L154 HydrophobicContact CB-CD1 4.02Å; L136-L154 HydrophobicContact CB-CD2 3.96Å; L136-L154 HydrophobicContact CB-CG 4.07Å; L136-L154 HydrophobicContact CD1-CG 4.41Å; L146-L154 HydrophobicContact CD1-CD1 3.63Å; D150-L154 WeakPolarHBondContact O-CB 3.27Å; D150-L154 WeakPolarHBondContact O-CG 3.34Å; D150-L154 PolarHBondContact O-N 3Å; D151-L154 PolarHBondContact O-N 3.46Å; T152-L154 PolarHBondContact O-N 2.72Å; L154-A158 WeakPolarHBondContact O-CA 3.1Å; L154-A158 WeakPolarHBondContact O-CB 3.42Å; L154-A158 PolarHBondContact O-N 3.34Å; L154-L162 HydrophobicContact CD2-CD1 4.23Å
155A69.1Low65.2Low74 Ų7469.3 Ų69.361%0.61239%0.394SS*.Hα-helixtrans-70.9-40.2177.600000112.5D151 T152 F153 A158D151-A155 WeakPolarHBondContact O-CB 3.31Å; D151-A155 PolarHBondContact O-N 3.17Å; T152-A155 PolarHBondContact O-N 3.01Å; T152-A155 VanDerWaalsContact O-N 3.15Å; F153-A155 VanDerWaalsContact C-N 3.34Å; A155-A158 WeakPolarHBondContact O-CB 3.11Å
156E68.3Low64.5Low147 Ų14765.9 Ų65.969%0.68738%0.381SS*.Hα-helixtrans-69.9-35.4178.4-73.9177.1171.100112.3T152T152-E156 HydrophobicContact CG2-CG 4.29Å; T152-E156 WeakPolarHBondContact O-CB 3.49Å; T152-E156 VanDerWaalsContact O-CG 3.32Å; T152-E156 WeakPolarHBondContact O-CG 3.43Å; T152-E156 PolarHBondContact O-N 3.37Å
157N64.1Low63.6Low41 Ų4171.7 Ų71.722%0.21941%0.405CS..THydrogen-bonded Turntrans-100.514.6-179.2-61.6-87.2000112.7T129 M133 F153 T159T129-N157 HydrophobicContact CG2-CB 4.45Å; T129-N157 VanDerWaalsContact CG2-OD1 3.27Å; T129-N157 WeakPolarHBondContact CG2-OD1 3.31Å; M133-N157 HydrophobicContact CE-CB 4.28Å; M133-N157 HydrophobicContact CG-CB 4.01Å; M133-N157 HydrophobicContact SD-CB 3.35Å; M133-N157 WeakPolarHBondContact SD-CB 3.44Å; F153-N157 WeakPolarHBondContact O-CB 3.44Å; F153-N157 PolarHBondContact O-N 2.79Å; F153-N157 PolarHBondContact O-ND2 3.02Å; N157-T159 PolarHBondContact O-N 3.49Å; N157-T159 PolarHBondContact O-OG1 3.19Å
158A57.6Low62.3Low57 Ų5770.1 Ų70.147%0.47140%0.396SS..  trans-62.874.2177.200000111.6L154 A155 L162L154-A158 WeakPolarHBondContact O-CA 3.1Å; L154-A158 WeakPolarHBondContact O-CB 3.42Å; L154-A158 PolarHBondContact O-N 3.34Å; A155-A158 WeakPolarHBondContact O-CB 3.11Å; A158-L162 HydrophobicContact CB-CD1 4.47Å
159T56.6Low61.1Low91 Ų9166.6 Ų66.656%0.55837%0.372SS*.  trans-96177.8174.790000109.8N157 T161 L162N157-T159 PolarHBondContact O-N 3.49Å; N157-T159 PolarHBondContact O-OG1 3.19Å; T159-T161 PolarHBondContact O-N 2.94Å; T159-L162 PolarHBondContact O-N 3.47Å
160A52.1Low60Low70 Ų7062 Ų6258%0.57936%0.362SS*.Hα-helixtrans-42.4-30.9-172.700000116.2L162 S163 Q164A160-L162 VanDerWaalsContact C-N 3.35Å; A160-L162 PolarHBondContact O-N 3.22Å; A160-S163 PolarHBondContact O-N 3.42Å; A160-Q164 PolarHBondContact O-N 3.45Å
161T51.1Low58.7Low47 Ų4767 Ų6729%0.28839%0.389SS..Hα-helixtrans-58.4-40.8175.3-41.30000112.9A89 T159 F165A89-T161 WeakPolarHBondContact O-CG2 3.49Å; T159-T161 PolarHBondContact O-N 2.94Å; T161-F165 VanDerWaalsContact O-CB 3.31Å; T161-F165 WeakPolarHBondContact O-CB 3.25Å; T161-F165 PolarHBondContact O-N 2.88Å
162L56.1Low57.4Low31 Ų3164.6 Ų64.616%0.16238%0.375CS..Hα-helixtrans-71.4-34.4178.6-142.5133.1000111L154 A158 T159 A160 F165 E166L154-L162 HydrophobicContact CD2-CD1 4.23Å; A158-L162 HydrophobicContact CB-CD1 4.47Å; T159-L162 PolarHBondContact O-N 3.47Å; A160-L162 VanDerWaalsContact C-N 3.35Å; A160-L162 PolarHBondContact O-N 3.22Å; L162-F165 PolarHBondContact O-N 3.11Å; L162-E166 HydrophobicContact CD2-CG 4.47Å; L162-E166 WeakPolarHBondContact O-CB 3.46Å; L162-E166 WeakPolarHBondContact O-CG 3.44Å; L162-E166 PolarHBondContact O-N 3.16Å
163S53.7Low56Low60 Ų6062.7 Ų62.742%0.4237%0.367SS..Hα-helixtrans-71-40.6175.2-1710000113.1A160 F165 K167A160-S163 PolarHBondContact O-N 3.42Å; S163-F165 VanDerWaalsContact C-N 3.29Å; S163-K167 WeakPolarHBondContact O-CG 3.34Å; S163-K167 PolarHBondContact O-N 2.99Å; S163-K167 VanDerWaalsContact O-N 3.09Å
164Q54.7Low54.4Low97 Ų9762.8 Ų62.845%0.45338%0.379SS..Hα-helixtrans-62.4-39.6171.9-85169.5-32.900110.7A160 K167 V168A160-Q164 PolarHBondContact O-N 3.45Å; Q164-K167 PolarHBondContact O-N 3.11Å; Q164-V168 WeakPolarHBondContact O-CG2 3.17Å; Q164-V168 PolarHBondContact O-N 3.01Å; Q164-V168 VanDerWaalsContact O-N 3.11Å
165F55.8Low53.1Low13 Ų1364.6 Ų64.66%0.05739%0.392CS..Hα-helixtrans-71.9-37.8177.8-166.9-113.5000114.3A84 A89 F90 T137 K141 T161 L162 S163 V168 T169A84-F165 HydrophobicContact CB-CD2 4.34Å; A84-F165 HydrophobicContact CB-CE2 3.72Å; A89-F165 HydrophobicContact CB-CB 3.87Å; A89-F165 HydrophobicContact CB-CD2 3.33Å; A89-F165 HydrophobicContact CB-CE2 4.2Å; A89-F165 HydrophobicContact CB-CG 4.01Å; F90-F165 HydrophobicContact CE2-CE2 4.02Å; F90-F165 HydrophobicContact CE2-CZ 4.34Å; F90-F165 AromaticContact CZ-CE2 3.96Å; F90-F165 HydrophobicContact CZ-CE2 3.96Å; F90-F165 AromaticContact CZ-CZ 3.98Å; F90-F165 HydrophobicContact CZ-CZ 3.98Å; T137-F165 HydrophobicContact CG2-CD1 3.41Å; T137-F165 VanDerWaalsContact CG2-CD1 3.41Å; T137-F165 HydrophobicContact CG2-CE1 3.17Å; T137-F165 HydrophobicContact CG2-CG 4.24Å; T137-F165 HydrophobicContact CG2-CZ 3.85Å; K141-F165 HydrophobicContact CD-CE1 4.06Å; K141-F165 HydrophobicContact CD-CZ 4.45Å; K141-F165 HydrophobicContact CG-CE1 3.57Å; K141-F165 HydrophobicContact CG-CZ 3.71Å; T161-F165 VanDerWaalsContact O-CB 3.31Å; T161-F165 WeakPolarHBondContact O-CB 3.25Å; T161-F165 PolarHBondContact O-N 2.88Å; L162-F165 PolarHBondContact O-N 3.11Å; S163-F165 VanDerWaalsContact C-N 3.29Å; F165-V168 PolarHBondContact O-N 3.31Å; F165-T169 PolarHBondContact O-N 2.98Å; F165-T169 PolarHBondContact O-OG1 2.65Å
166E55.7Low51.9Low116 Ų11666.9 Ų66.954%0.54239%0.39SS..Hα-helixtrans-64-39.7172.8-80.7-176.9167.100111.7L162 V168 T169 A170L162-E166 HydrophobicContact CD2-CG 4.47Å; L162-E166 WeakPolarHBondContact O-CB 3.46Å; L162-E166 WeakPolarHBondContact O-CG 3.44Å; L162-E166 PolarHBondContact O-N 3.16Å; E166-V168 VanDerWaalsContact C-N 3.33Å; E166-V168 PolarHBondContact O-N 3.48Å; E166-T169 PolarHBondContact O-N 2.94Å; E166-A170 VanDerWaalsContact O-CB 3.27Å; E166-A170 WeakPolarHBondContact O-CB 3.43Å; E166-A170 PolarHBondContact O-N 3.22Å
167K55.1Low50.5Low145 Ų14565.4 Ų65.463%0.6339%0.387SS*.Hα-helixtrans-61.9-41.2173.5-77.7177.6179.41790112.4S163 Q164 A170 N171S163-K167 WeakPolarHBondContact O-CG 3.34Å; S163-K167 PolarHBondContact O-N 2.99Å; S163-K167 VanDerWaalsContact O-N 3.09Å; Q164-K167 PolarHBondContact O-N 3.11Å; K167-A170 PolarHBondContact O-N 3.44Å; K167-N171 PolarHBondContact O-N 2.87Å
168V51.5Low49.4Very low20 Ų2070.6 Ų70.612%0.12141%0.408CS..Hα-helixtrans-65.4-45.6177.3167.50000110.7Q83 S87 Q164 F165 E166 N171 L172Q83-V168 HydrophobicContact CB-CG1 4.12Å; Q83-V168 HydrophobicContact CG-CG1 3.65Å; Q83-V168 PolarHBondContact NE2-O 3.29Å; S87-V168 WeakPolarHBondContact OG-CG2 3.18Å; Q164-V168 WeakPolarHBondContact O-CG2 3.17Å; Q164-V168 PolarHBondContact O-N 3.01Å; Q164-V168 VanDerWaalsContact O-N 3.11Å; F165-V168 PolarHBondContact O-N 3.31Å; E166-V168 VanDerWaalsContact C-N 3.33Å; E166-V168 PolarHBondContact O-N 3.48Å; V168-N171 PolarHBondContact O-N 2.85Å; V168-L172 WeakPolarHBondContact O-CD1 3.27Å; V168-L172 PolarHBondContact O-N 2.88Å
169T45.9Very low48.8Very low27 Ų2772.9 Ų72.917%0.16641%0.411CS..Hα-helixtrans-64.4-42.5175.9-47.10000111.5K141 F165 E166 N171 L172 A173K141-T169 WeakPolarHBondContact CE-OG1 3.41Å; K141-T169 PolarHBondContact NZ-OG1 2.86Å; F165-T169 PolarHBondContact O-N 2.98Å; F165-T169 PolarHBondContact O-OG1 2.65Å; E166-T169 PolarHBondContact O-N 2.94Å; T169-N171 PolarHBondContact O-N 2.92Å; T169-L172 CarbonylContact O-C 3.59Å; T169-L172 PolarHBondContact O-N 2.87Å; T169-A173 WeakPolarHBondContact O-CB 3.35Å; T169-A173 PolarHBondContact O-N 2.68Å
170A49.6Very low48.2Very low63 Ų6375.5 Ų75.552%0.52142%0.419SS..Hα-helixtrans-61.3-32.8-179.300000112.4E166 K167 G174E166-A170 VanDerWaalsContact O-CB 3.27Å; E166-A170 WeakPolarHBondContact O-CB 3.43Å; E166-A170 PolarHBondContact O-N 3.22Å; K167-A170 PolarHBondContact O-N 3.44Å; A170-G174 PolarHBondContact O-N 3.29Å
171N47Very low47.6Very low123 Ų12374.7 Ų74.766%0.65841%0.412SS*.Hα-helixtrans-68.5-31.1173.3-91.6-26.6000113.3K167 V168 T169 S175K167-N171 PolarHBondContact O-N 2.87Å; V168-N171 PolarHBondContact O-N 2.85Å; T169-N171 PolarHBondContact O-N 2.92Å; N171-S175 PolarHBondContact O-OG 3.09Å
172L43.7Very low47.3Very low16 Ų1678 Ų788%0.08443%0.427CS..Hα-helixtrans-80.5-43.2172.6-80.1130.6000112.4L80 Q83 V168 T169 G174 S175 E176L80-L172 HydrophobicContact CD2-CD1 3.58Å; L80-L172 HydrophobicContact CD2-CD2 4.29Å; L80-L172 HydrophobicContact CD2-CG 4.46Å; Q83-L172 VanDerWaalsContact CD-CD1 3.43Å; V168-L172 WeakPolarHBondContact O-CD1 3.27Å; V168-L172 PolarHBondContact O-N 2.88Å; T169-L172 CarbonylContact O-C 3.59Å; T169-L172 PolarHBondContact O-N 2.87Å; L172-G174 VanDerWaalsContact C-N 3.26Å; L172-G174 PolarHBondContact O-N 3.08Å; L172-S175 CarbonylContact O-C 3.57Å; L172-S175 VanDerWaalsContact O-CA 3.27Å; L172-S175 WeakPolarHBondContact O-CA 3.41Å; L172-S175 WeakPolarHBondContact O-CB 3.4Å; L172-S175 PolarHBondContact O-N 3.28Å; L172-E176 PolarHBondContact O-N 3.19Å
173A43.9Very low46.8Very low34 Ų3479.7 Ų79.728%0.28145%0.446SS..Hα-helixtrans-61.5-36.2177.300000111T169 S175 E176 D177T169-A173 WeakPolarHBondContact O-CB 3.35Å; T169-A173 PolarHBondContact O-N 2.68Å; A173-S175 PolarHBondContact O-N 2.9Å; A173-E176 PolarHBondContact O-N 3.08Å; A173-D177 VanDerWaalsContact O-CB 3.31Å; A173-D177 WeakPolarHBondContact O-CB 3.46Å; A173-D177 PolarHBondContact O-N 2.93Å
174G40.3Very low46.2Very low41 Ų4181.1 Ų81.142%0.42346%0.456SS..Hα-helixtrans-66.4-18.2170.400000114.3A170 L172 K178A170-G174 PolarHBondContact O-N 3.29Å; L172-G174 VanDerWaalsContact C-N 3.26Å; L172-G174 PolarHBondContact O-N 3.08Å; G174-K178 WeakPolarHBondContact O-CB 3.33Å; G174-K178 PolarHBondContact O-N 2.92Å
175S43.6Very low45.7Very low44 Ų4480.3 Ų80.331%0.30846%0.461SS..Hα-helixtrans-86.7-42.6172.7-49.60000111N171 L172 A173 K178 I179N171-S175 PolarHBondContact O-OG 3.09Å; L172-S175 CarbonylContact O-C 3.57Å; L172-S175 VanDerWaalsContact O-CA 3.27Å; L172-S175 WeakPolarHBondContact O-CA 3.41Å; L172-S175 WeakPolarHBondContact O-CB 3.4Å; L172-S175 PolarHBondContact O-N 3.28Å; A173-S175 PolarHBondContact O-N 2.9Å; S175-K178 PolarHBondContact O-N 3.11Å; S175-I179 WeakPolarHBondContact O-CB 2.97Å; S175-I179 WeakPolarHBondContact O-CD1 3.11Å; S175-I179 WeakPolarHBondContact O-CG1 3.37Å; S175-I179 PolarHBondContact O-N 3.24Å
176E43.1Very low44.9Very low122 Ų12282.7 Ų82.757%0.5749%0.489SS*.Hα-helixtrans-66.7-41.4174.6-71.4-179.3136.500112.2L172 A173 K178 I179 M180L172-E176 PolarHBondContact O-N 3.19Å; A173-E176 PolarHBondContact O-N 3.08Å; E176-K178 VanDerWaalsContact C-N 3.29Å; E176-K178 PolarHBondContact O-N 3.3Å; E176-I179 CarbonylContact O-C 3.59Å; E176-I179 PolarHBondContact O-N 2.59Å; E176-M180 WeakPolarHBondContact O-CB 3.49Å; E176-M180 PolarHBondContact O-N 3.39Å
177D39.1Very low44.5Very low116 Ų11682.5 Ų82.562%0.6250%0.496SS*.Hα-helixtrans-64.4-34.6172.6-95.8-37.7000111.3A173 A181A173-D177 VanDerWaalsContact O-CB 3.31Å; A173-D177 WeakPolarHBondContact O-CB 3.46Å; A173-D177 PolarHBondContact O-N 2.93Å; D177-A181 WeakPolarHBondContact O-CA 3.42Å; D177-A181 WeakPolarHBondContact O-CB 3.28Å; D177-A181 PolarHBondContact O-N 2.76Å
178K40.8Very low43.8Very low149 Ų14984.9 Ų84.965%0.64851%0.506SS*.Hα-helixtrans-68.6-39.1172.6-110.6176.9177.4176.50111.9G174 S175 E176 L182G174-K178 WeakPolarHBondContact O-CB 3.33Å; G174-K178 PolarHBondContact O-N 2.92Å; S175-K178 PolarHBondContact O-N 3.11Å; E176-K178 VanDerWaalsContact C-N 3.29Å; E176-K178 PolarHBondContact O-N 3.3Å; K178-L182 WeakPolarHBondContact O-CB 3.46Å; K178-L182 WeakPolarHBondContact O-CD1 3.2Å; K178-L182 VanDerWaalsContact O-CG 3.28Å; K178-L182 WeakPolarHBondContact O-CG 3.45Å; K178-L182 PolarHBondContact O-N 3.09Å
179I45.5Very low43.1Very low106 Ų10689.8 Ų89.854%0.54454%0.536SS..Hα-helixtrans-71.7-39178.8-67163.8000110.5S175 E176 A183S175-I179 WeakPolarHBondContact O-CB 2.97Å; S175-I179 WeakPolarHBondContact O-CD1 3.11Å; S175-I179 WeakPolarHBondContact O-CG1 3.37Å; S175-I179 PolarHBondContact O-N 3.24Å; E176-I179 CarbonylContact O-C 3.59Å; E176-I179 PolarHBondContact O-N 2.59Å; I179-A183 VanDerWaalsContact O-CB 3.32Å; I179-A183 WeakPolarHBondContact O-CB 3.21Å; I179-A183 PolarHBondContact O-N 2.93Å
180M44.3Very low42.8Very low146 Ų14697.6 Ų97.672%0.71957%0.571SS**Hα-helixtrans-67.1-42171-87.5-135.1177.500112.3E176 A183 S184E176-M180 WeakPolarHBondContact O-CB 3.49Å; E176-M180 PolarHBondContact O-N 3.39Å; M180-A183 PolarHBondContact O-N 3.38Å; M180-S184 PolarHBondContact O-N 3.42Å
181A40.3Very low42.1Very low52 Ų52103.8 Ų103.843%0.4361%0.61SS.*Hα-helixtrans-65.1-41.1175.800000111.4D177 S184 S185D177-A181 WeakPolarHBondContact O-CA 3.42Å; D177-A181 WeakPolarHBondContact O-CB 3.28Å; D177-A181 PolarHBondContact O-N 2.76Å; A181-S184 PolarHBondContact O-N 2.94Å; A181-S184 PolarHBondContact O-OG 3.42Å; A181-S185 WeakPolarHBondContact O-CB 3.43Å; A181-S185 PolarHBondContact O-N 3.15Å; A181-S185 PolarHBondContact O-OG 3.06Å
182L43.1Very low41.8Very low116 Ų116102.9 Ų102.961%0.60761%0.608SS**Hα-helixtrans-65.2-40.6174.8-81.6159.1000111.7K178 S184 S185 G186K178-L182 WeakPolarHBondContact O-CB 3.46Å; K178-L182 WeakPolarHBondContact O-CD1 3.2Å; K178-L182 VanDerWaalsContact O-CG 3.28Å; K178-L182 WeakPolarHBondContact O-CG 3.45Å; K178-L182 PolarHBondContact O-N 3.09Å; L182-S184 VanDerWaalsContact C-N 3.35Å; L182-S184 PolarHBondContact O-N 3.3Å; L182-S185 WeakPolarHBondContact CA-OG 3.41Å; L182-S185 PolarHBondContact O-N 3.47Å; L182-S185 PolarHBondContact O-OG 3.01Å; L182-G186 PolarHBondContact O-N 3.04Å
183A45.4Very low41.7Very low68 Ų68107.4 Ų107.456%0.56264%0.636SS**Hα-helixtrans-63.7-37174.700000112.7I179 M180I179-A183 VanDerWaalsContact O-CB 3.32Å; I179-A183 WeakPolarHBondContact O-CB 3.21Å; I179-A183 PolarHBondContact O-N 2.93Å; M180-A183 PolarHBondContact O-N 3.38Å
184S41.6Very low41.6Very low90 Ų90111.5 Ų111.563%0.62966%0.655SS**Hα-helixtrans-72.6-26.6174.975.60000113.5M180 A181 L182M180-S184 PolarHBondContact O-N 3.42Å; A181-S184 PolarHBondContact O-N 2.94Å; A181-S184 PolarHBondContact O-OG 3.42Å; L182-S184 VanDerWaalsContact C-N 3.35Å; L182-S184 PolarHBondContact O-N 3.3Å
185S44.4Very low41.7Very low79 Ų79115.6 Ų115.655%0.55267%0.669SS**Hα-helixtrans-81.7-16.4-179.872.50000114.1A181 L182A181-S185 WeakPolarHBondContact O-CB 3.43Å; A181-S185 PolarHBondContact O-N 3.15Å; A181-S185 PolarHBondContact O-OG 3.06Å; L182-S185 WeakPolarHBondContact CA-OG 3.41Å; L182-S185 PolarHBondContact O-N 3.47Å; L182-S185 PolarHBondContact O-OG 3.01Å
186G39.9Very low41.5Very low64 Ų64120.1 Ų120.166%0.6669%0.692SS**THydrogen-bonded Turntrans-81.2-12.2178.200000115.1L182L182-G186 PolarHBondContact O-N 3.04Å
187V47.3Very low41.4Very low112 Ų112120 Ų12068%0.67970%0.7SS**  trans-104.159.8178.7-166.80000110.2
188K39.3Very low41.6Very low194 Ų194120.3 Ų120.384%0.84371%0.705SS**  trans-116.677.2152.4-74.5-175.3-178.7-1790107.4Q190K188-Q190 PolarHBondContact O-N 3.03Å
189T37.6Very low41.7Very low123 Ų123118.1 Ų118.176%0.75571%0.71SS**  trans-43.9125.6160.734.10000109.8S191T189-S191 PolarHBondContact O-N 3.07Å
190Q38.9Very low41.4Very low192 Ų192119.1 Ų119.190%0.89772%0.724SS**  trans-44.7119.7154-74176.2-37.100109.5K188K188-Q190 PolarHBondContact O-N 3.03Å
191S34.3Very low41.1Very low193 Ų193116.6 Ų116.6100%1.3572%0.724SS**  trans-165.40146.9-76.10000108T189T189-S191 PolarHBondContact O-N 3.07Å

Retrieved 191 of 191 residues in 173.1 ms (Link to these results)

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