G4VAX2_SCHMA Loading...

CSN8_PSD8_EIF3K domain-containing protein

AlphaFold DB , UniProt , Accession G4VAX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 211 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
1M54.8Low80Confident209 Ų20987 Ų87100%1.0348%0.481SS*.  0-46.50-63.3-157.982.700112.3D3 D4 S5M1-D3 PolarHBondContact O-N 2.73Å; M1-D4 PolarHBondContact O-N 2.97Å; M1-S5 PolarHBondContact O-N 2.74Å
2S66.3Low80.5Confident103 Ų10384.8 Ų84.872%0.7248%0.482SS*.Hα-helixtrans-59.6-43.2179-143.60000113.3D4 S5 A6S2-D4 PolarHBondContact O-N 3.01Å; S2-S5 PolarHBondContact O-N 3.44Å; S2-A6 PolarHBondContact O-N 3.28Å
3D76.7Confident80.9Confident118 Ų11885.6 Ų85.663%0.63148%0.479SS*.Hα-helixtrans-66.3-36.6-177.2-62.70.9000113.1M1 A6 L7M1-D3 PolarHBondContact O-N 2.73Å; D3-A6 PolarHBondContact O-N 2.91Å; D3-L7 WeakPolarHBondContact O-CG 3.47Å; D3-L7 PolarHBondContact O-N 3.44Å
4D81Confident81.1Confident81 Ų8179.5 Ų79.543%0.43345%0.445SS..Hα-helixtrans-70.3-35.5179.1-69.1-26.3000111.4M1 S2 A6 L7 E8 R122M1-D4 PolarHBondContact O-N 2.97Å; S2-D4 PolarHBondContact O-N 3.01Å; D4-A6 VanDerWaalsContact C-N 3.34Å; D4-A6 PolarHBondContact O-N 2.82Å; D4-L7 PolarHBondContact O-N 3.38Å; D4-E8 WeakPolarHBondContact O-CG 3.38Å; D4-E8 PolarHBondContact O-N 2.94Å; D4-R122 IonicContact OD1-CZ 2.87Å; D4-R122 IonicContact OD1-NH1 3.32Å; D4-R122 PolarHBondContact OD1-NH1 3.1Å; D4-R122 IonicContact OD1-NH2 3.52Å; D4-R122 PolarHBondContact OD1-NH2 3.04Å
5S84.6Confident81.4Confident73 Ų7377.8 Ų77.851%0.5144%0.437SS..Hα-helixtrans-61.7-42.7173.2-170.60000111.6M1 S2 E8 E9M1-S5 PolarHBondContact O-N 2.74Å; S2-S5 PolarHBondContact O-N 3.44Å; S5-E8 PolarHBondContact O-N 2.87Å; S5-E9 PolarHBondContact O-N 2.8Å
6A85.4Confident81.4Confident54 Ų5476.2 Ų76.245%0.44644%0.437SS..Hα-helixtrans-66-38.5177.600000112S2 D3 D4 E8 E9 Q10S2-A6 PolarHBondContact O-N 3.28Å; D3-A6 PolarHBondContact O-N 2.91Å; D4-A6 VanDerWaalsContact C-N 3.34Å; D4-A6 PolarHBondContact O-N 2.82Å; A6-E8 VanDerWaalsContact C-N 3.33Å; A6-E9 PolarHBondContact O-N 3.13Å; A6-Q10 WeakPolarHBondContact O-CB 3.45Å; A6-Q10 PolarHBondContact O-N 3.36Å
7L84.7Confident81.5Confident27 Ų2773.6 Ų73.614%0.14142%0.42CS..Hα-helixtrans-65.6-36.2173.9-69.6-179.7000112.2D3 D4 L11 L50 M53D3-L7 WeakPolarHBondContact O-CG 3.47Å; D3-L7 PolarHBondContact O-N 3.44Å; D4-L7 PolarHBondContact O-N 3.38Å; L7-L11 WeakPolarHBondContact O-CB 3.26Å; L7-L11 PolarHBondContact O-N 3.22Å; L7-L50 HydrophobicContact CD2-CD2 3.53Å; L7-M53 HydrophobicContact CD1-CB 4.38Å
8E87.2Confident81.5Confident102 Ų10271.2 Ų71.248%0.47740%0.404SS..Hα-helixtrans-67.2-43.1176.8-75.9-169.615900112.5D4 S5 A6 L11 A12 K54D4-E8 WeakPolarHBondContact O-CG 3.38Å; D4-E8 PolarHBondContact O-N 2.94Å; S5-E8 PolarHBondContact O-N 2.87Å; A6-E8 VanDerWaalsContact C-N 3.33Å; E8-L11 PolarHBondContact O-N 2.69Å; E8-A12 WeakPolarHBondContact O-CB 3.41Å; E8-A12 PolarHBondContact O-N 3.39Å; E8-K54 IonicContact OE1-NZ 2.82Å; E8-K54 PolarHBondContact OE1-NZ 2.97Å
9E86.9Confident81.2Confident125 Ų12575.1 Ų75.158%0.58442%0.423SS*.Hα-helixtrans-61.7-50.1174.9-174.1170.3-160.300110.7S5 A6 L11 A12 E13S5-E9 PolarHBondContact O-N 2.8Å; A6-E9 PolarHBondContact O-N 3.13Å; E9-L11 VanDerWaalsContact C-N 3.3Å; E9-L11 PolarHBondContact O-N 2.96Å; E9-A12 WeakPolarHBondContact O-CB 3.49Å; E9-A12 PolarHBondContact O-N 3.01Å; E9-A12 VanDerWaalsContact O-N 3.13Å; E9-E13 WeakPolarHBondContact O-CG 3.48Å; E9-E13 PolarHBondContact O-N 3.49Å
10Q85.6Confident80.9Confident47 Ų4778.6 Ų78.622%0.2244%0.44CS..Hα-helixtrans-60.5-40.6177.1-167.6-177.2-11.800111.8A6 E13 M14 Q46 L50A6-Q10 WeakPolarHBondContact O-CB 3.45Å; A6-Q10 PolarHBondContact O-N 3.36Å; Q10-E13 PolarHBondContact O-N 3.05Å; Q10-M14 VanDerWaalsContact O-CG 3.29Å; Q10-M14 WeakPolarHBondContact O-CG 3.47Å; Q10-M14 PolarHBondContact O-N 3.37Å; Q10-Q46 VanDerWaalsContact NE2-NE2 3.16Å; Q10-L50 HydrophobicContact CB-CD1 4.27Å; Q10-L50 HydrophobicContact CG-CD1 3.84Å
11L86.8Confident80.5Confident18 Ų1876.3 Ų76.39%0.09443%0.427CS..Hα-helixtrans-65.2-39.9177.3-17170.1000111.5L7 E8 E9 M14 V15 Y47 L50 Y51 K54L7-L11 WeakPolarHBondContact O-CB 3.26Å; L7-L11 PolarHBondContact O-N 3.22Å; E8-L11 PolarHBondContact O-N 2.69Å; E9-L11 VanDerWaalsContact C-N 3.3Å; E9-L11 PolarHBondContact O-N 2.96Å; L11-M14 PolarHBondContact O-N 3.45Å; L11-V15 WeakPolarHBondContact O-CG2 3.45Å; L11-V15 PolarHBondContact O-N 3.49Å; L11-Y47 HydrophobicContact CD1-CD2 3.79Å; L11-Y47 HydrophobicContact CD1-CE2 3.54Å; L11-L50 HydrophobicContact CD1-CB 4.05Å; L11-L50 HydrophobicContact CD1-CD1 4.4Å; L11-Y51 HydrophobicContact CD1-CD1 4.01Å; L11-Y51 HydrophobicContact CD1-CD2 4.38Å; L11-Y51 HydrophobicContact CD1-CE1 3.82Å; L11-Y51 HydrophobicContact CD1-CE2 4.22Å; L11-Y51 HydrophobicContact CD1-CG 4.28Å; L11-Y51 HydrophobicContact CD2-CD1 4.06Å; L11-Y51 HydrophobicContact CD2-CE1 3.75Å; L11-Y51 HydrophobicContact CG-CE1 4.22Å; L11-K54 HydrophobicContact CD2-CD 4.36Å
12A85.8Confident81.1Confident60 Ų6069.8 Ų69.850%0.49640%0.396SS..Hα-helixtrans-64.3-42.5176.900000111.7E8 E9 V15 A16E8-A12 WeakPolarHBondContact O-CB 3.41Å; E8-A12 PolarHBondContact O-N 3.39Å; E9-A12 WeakPolarHBondContact O-CB 3.49Å; E9-A12 PolarHBondContact O-N 3.01Å; E9-A12 VanDerWaalsContact O-N 3.13Å; A12-V15 PolarHBondContact O-N 3.31Å; A12-A16 PolarHBondContact O-N 2.97Å
13E85.6Confident80.9Confident96 Ų9668.2 Ų68.245%0.44938%0.382SS..Hα-helixtrans-60.7-44.1173.5-69.3-180173.900111.7E9 Q10 A16 F17 P32E9-E13 WeakPolarHBondContact O-CG 3.48Å; E9-E13 PolarHBondContact O-N 3.49Å; Q10-E13 PolarHBondContact O-N 3.05Å; E13-A16 PolarHBondContact O-N 3.33Å; E13-F17 WeakPolarHBondContact O-CB 3.44Å; E13-F17 PolarHBondContact O-N 2.91Å; E13-P32 HydrophobicContact CB-CB 3.76Å; E13-P32 HydrophobicContact CB-CG 4.16Å
14M83.5Confident80.2Confident0 Ų068.2 Ų68.20%039%0.387CS..Hα-helixtrans-66.1-37.5177.6-68.8-170.3101.800112.7Q10 L11 E18 P32 F43 Q46 Y47 L50Q10-M14 VanDerWaalsContact O-CG 3.29Å; Q10-M14 WeakPolarHBondContact O-CG 3.47Å; Q10-M14 PolarHBondContact O-N 3.37Å; L11-M14 PolarHBondContact O-N 3.45Å; M14-E18 PolarHBondContact O-N 2.92Å; M14-P32 HydrophobicContact CG-CG 4.04Å; M14-F43 HydrophobicContact CB-CE2 4.03Å; M14-F43 HydrophobicContact CB-CZ 4.35Å; M14-F43 HydrophobicContact CE-CD2 3.48Å; M14-F43 VanDerWaalsContact CE-CD2 3.48Å; M14-F43 HydrophobicContact CE-CE2 3.58Å; M14-F43 HydrophobicContact CE-CG 4.31Å; M14-F43 HydrophobicContact CE-CZ 4.46Å; M14-F43 VanDerWaalsContact CE-O 3.23Å; M14-F43 WeakPolarHBondContact CE-O 3.42Å; M14-F43 HydrophobicContact CG-CE2 4.07Å; M14-F43 WeakPolarHBondContact O-CZ 3.26Å; M14-Q46 HydrophobicContact CE-CB 3.84Å; M14-Q46 HydrophobicContact CE-CG 3.88Å; M14-Q46 HydrophobicContact SD-CG 4.09Å; M14-Y47 HydrophobicContact CB-CD2 3.94Å; M14-Y47 HydrophobicContact CB-CE2 4.14Å; M14-Y47 HydrophobicContact CB-CG 4.25Å; M14-Y47 HydrophobicContact CE-CG 4.46Å; M14-Y47 HydrophobicContact SD-CD2 4.24Å; M14-Y47 HydrophobicContact SD-CG 4.35Å; M14-L50 HydrophobicContact CG-CD1 4.4Å; M14-L50 HydrophobicContact SD-CD1 3.29Å; M14-L50 WeakPolarHBondContact SD-CD1 3.34Å; M14-L50 HydrophobicContact SD-CG 4.37Å
15V85.6Confident79.4Confident54 Ų5470.2 Ų70.233%0.32740%0.397SS..Hα-helixtrans-62.2-46.7173.7171.80000110.4L11 A12 E18 L19 Y47L11-V15 WeakPolarHBondContact O-CG2 3.45Å; L11-V15 PolarHBondContact O-N 3.49Å; A12-V15 PolarHBondContact O-N 3.31Å; V15-E18 PolarHBondContact O-N 3.24Å; V15-L19 PolarHBondContact O-N 2.99Å; V15-Y47 HydrophobicContact CG2-CE2 4.15Å; V15-Y47 WeakPolarHBondContact CG2-OH 3.27Å
16A82.2Confident78.6Confident52 Ų5268.6 Ų68.643%0.4338%0.381SS..Hα-helixtrans-62.6-45.1179.400000111.3A12 E13 E18 L19A12-A16 PolarHBondContact O-N 2.97Å; E13-A16 PolarHBondContact O-N 3.33Å; A16-E18 VanDerWaalsContact C-N 3.32Å; A16-E18 PolarHBondContact O-N 3.01Å; A16-L19 WeakPolarHBondContact O-CB 3.48Å; A16-L19 PolarHBondContact O-N 3.33Å
17F82.1Confident77.8Confident33 Ų3369.4 Ų69.415%0.14538%0.378CS..Hα-helixtrans-63.6-35.1177.6-173.9-103.9000112.9E13 L19 D20 L21 F26 F30 C31 P32 F43E13-F17 WeakPolarHBondContact O-CB 3.44Å; E13-F17 PolarHBondContact O-N 2.91Å; F17-L19 VanDerWaalsContact C-N 3.28Å; F17-L19 PolarHBondContact O-N 3.29Å; F17-D20 PolarHBondContact O-N 3.49Å; F17-L21 HydrophobicContact CD1-CD1 3.54Å; F17-L21 HydrophobicContact CE1-CD1 3.06Å; F17-L21 HydrophobicContact CZ-CD1 3.69Å; F17-L21 WeakPolarHBondContact O-CB 3.43Å; F17-L21 PolarHBondContact O-N 3.3Å; F17-L21 VanDerWaalsContact O-N 3.11Å; F17-F26 AromaticContact CE1-CE2 3.91Å; F17-F26 HydrophobicContact CE1-CE2 3.91Å; F17-F26 HydrophobicContact CE1-CZ 4.33Å; F17-F26 HydrophobicContact CZ-CE2 4.26Å; F17-F30 WeakPolarHBondContact CD2-O 3.34Å; F17-F30 HydrophobicContact CE2-CB 4.04Å; F17-F30 WeakPolarHBondContact CE2-O 3.48Å; F17-C31 HydrophobicContact CE1-CB 3.93Å; F17-C31 VanDerWaalsContact CE1-SG 3.6Å; F17-C31 HydrophobicContact CE2-CB 4.36Å; F17-C31 HydrophobicContact CZ-CB 3.73Å; F17-P32 HydrophobicContact CB-CG 3.79Å; F17-P32 VanDerWaalsContact CG-CD 3.44Å; F17-P32 HydrophobicContact CG-CG 4.16Å; F17-F43 HydrophobicContact CB-CE2 4.4Å; F17-F43 AromaticContact CD1-CD2 3.89Å; F17-F43 HydrophobicContact CD1-CD2 3.89Å; F17-F43 HydrophobicContact CD1-CE1 4.44Å; F17-F43 AromaticContact CD1-CE2 3.48Å; F17-F43 HydrophobicContact CD1-CE2 3.48Å; F17-F43 VanDerWaalsContact CD1-CE2 3.48Å; F17-F43 AromaticContact CD1-CZ 3.8Å; F17-F43 HydrophobicContact CD1-CZ 3.8Å; F17-F43 HydrophobicContact CE1-CD2 4.17Å; F17-F43 HydrophobicContact CE1-CE2 4.21Å; F17-F43 HydrophobicContact CG-CE2 4.37Å
18E81.9Confident77.2Confident29 Ų2970.4 Ų70.414%0.13639%0.387CS..Hα-helixtrans-63.4-33.5176-167.6-174.9-154.200112.4M14 V15 A16 D20 L21 F43 Y44 Y47 R66M14-E18 PolarHBondContact O-N 2.92Å; V15-E18 PolarHBondContact O-N 3.24Å; A16-E18 VanDerWaalsContact C-N 3.32Å; A16-E18 PolarHBondContact O-N 3.01Å; E18-D20 VanDerWaalsContact C-N 3.31Å; E18-D20 PolarHBondContact O-N 3.23Å; E18-L21 VanDerWaalsContact O-CB 3.31Å; E18-L21 WeakPolarHBondContact O-CB 3.41Å; E18-L21 PolarHBondContact O-N 2.93Å; E18-F43 HydrophobicContact CB-CE1 4.38Å; E18-F43 HydrophobicContact CB-CZ 4.21Å; E18-Y44 WeakPolarHBondContact OE1-CE1 3.35Å; E18-Y44 PolarHBondContact OE1-OH 2.97Å; E18-Y47 HydrophobicContact CB-CE1 4.33Å; E18-Y47 WeakPolarHBondContact OE2-CE1 3.48Å; E18-R66 IonicContact OE1-CZ 2.65Å; E18-R66 IonicContact OE1-NE 3.81Å; E18-R66 PolarHBondContact OE1-NE 3.48Å; E18-R66 IonicContact OE1-NH2 2.67Å; E18-R66 IonicContact OE2-CZ 3.01Å; E18-R66 IonicContact OE2-NE 2.93Å; E18-R66 PolarHBondContact OE2-NE 3.03Å; E18-R66 IonicContact OE2-NH1 3.66Å; E18-R66 IonicContact OE2-NH2 3.26Å; E18-R66 PolarHBondContact OE2-NH2 3.26Å
19L76.8Confident76.2Confident145 Ų14574.1 Ų74.176%0.75940%0.402SS*.Hα-helixtrans-66.7-34.1179.6-67173.1000112.5V15 A16 F17V15-L19 PolarHBondContact O-N 2.99Å; A16-L19 WeakPolarHBondContact O-CB 3.48Å; A16-L19 PolarHBondContact O-N 3.33Å; F17-L19 VanDerWaalsContact C-N 3.28Å; F17-L19 PolarHBondContact O-N 3.29Å
20D74.9Confident75.3Confident145 Ų14575.3 Ų75.378%0.77541%0.405SS*.THydrogen-bonded Turntrans-942178.4-64.6-36.8000112.6F17 E18 D22F17-D20 PolarHBondContact O-N 3.49Å; E18-D20 VanDerWaalsContact C-N 3.31Å; E18-D20 PolarHBondContact O-N 3.23Å; D20-D22 PolarHBondContact O-N 3.37Å; D20-D22 VanDerWaalsContact O-N 3.12Å
21L72.3Confident74.6Confident31 Ų3173.8 Ų73.816%0.16240%0.399CS..  trans-73.1107.2-170.8-162.387000112.1F17 E18 T23 F26 Y44F17-L21 HydrophobicContact CD1-CD1 3.54Å; F17-L21 HydrophobicContact CE1-CD1 3.06Å; F17-L21 HydrophobicContact CZ-CD1 3.69Å; F17-L21 WeakPolarHBondContact O-CB 3.43Å; F17-L21 PolarHBondContact O-N 3.3Å; F17-L21 VanDerWaalsContact O-N 3.11Å; E18-L21 VanDerWaalsContact O-CB 3.31Å; E18-L21 WeakPolarHBondContact O-CB 3.41Å; E18-L21 PolarHBondContact O-N 2.93Å; L21-T23 HydrophobicContact CD2-CG2 3.9Å; L21-T23 PolarHBondContact O-N 3.48Å; L21-F26 HydrophobicContact CD1-CD2 3.85Å; L21-F26 HydrophobicContact CD1-CE2 3.82Å; L21-Y44 HydrophobicContact CD2-CE2 4.08Å
22D66.4Low73.9Confident73 Ų7374 Ų7439%0.3940%0.402SS..  trans-86.6104.8159-172.4-3.2000109.8D20 V24 N25 F26D20-D22 PolarHBondContact O-N 3.37Å; D20-D22 VanDerWaalsContact O-N 3.12Å; D22-V24 PolarHBondContact O-N 3.45Å; D22-V24 VanDerWaalsContact O-N 3.08Å; D22-V24 WeakPolarHBondContact OD1-CB 3.24Å; D22-V24 PolarHBondContact OD1-N 3.48Å; D22-N25 HydrophobicContact CB-CB 4.27Å; D22-N25 CarbonylContact O-C 3.29Å; D22-N25 VanDerWaalsContact O-C 3.29Å; D22-N25 PolarHBondContact O-N 2.87Å; D22-N25 VanDerWaalsContact O-N 3.17Å; D22-N25 PolarHBondContact OD2-ND2 2.93Å; D22-F26 PolarHBondContact O-N 3.13Å
23T63.4Low73.2Confident69 Ų6972 Ų7242%0.42338%0.384SS..SBendtrans-59.8-18.9178.1590000113.9L21 P68L21-T23 HydrophobicContact CD2-CG2 3.9Å; L21-T23 PolarHBondContact O-N 3.48Å; T23-P68 HydrophobicContact CG2-CG 4.17Å
24V62.5Low72.5Confident119 Ų11971.1 Ų71.172%0.72139%0.388SS*.SBendtrans-85-40.8177.2-176.80000111.1D22D22-V24 PolarHBondContact O-N 3.45Å; D22-V24 VanDerWaalsContact O-N 3.08Å; D22-V24 WeakPolarHBondContact OD1-CB 3.24Å; D22-V24 PolarHBondContact OD1-N 3.48Å
25N63.6Low71.7Confident122 Ų12273.9 Ų73.965%0.65240%0.402SS*.SBendtrans-106.250.3178.9-66-54.1000111.5D22 D27D22-N25 HydrophobicContact CB-CB 4.27Å; D22-N25 CarbonylContact O-C 3.29Å; D22-N25 VanDerWaalsContact O-C 3.29Å; D22-N25 PolarHBondContact O-N 2.87Å; D22-N25 VanDerWaalsContact O-N 3.17Å; D22-N25 PolarHBondContact OD2-ND2 2.93Å; N25-D27 PolarHBondContact O-N 3.48Å
26F68.5Low70.8Confident39 Ų3975.5 Ų75.517%0.17143%0.43CS..  trans-63106.6-177.5-175-89.3000110.9F17 L21 D22 S28 C31 P38 P40 F43F17-F26 AromaticContact CE1-CE2 3.91Å; F17-F26 HydrophobicContact CE1-CE2 3.91Å; F17-F26 HydrophobicContact CE1-CZ 4.33Å; F17-F26 HydrophobicContact CZ-CE2 4.26Å; L21-F26 HydrophobicContact CD1-CD2 3.85Å; L21-F26 HydrophobicContact CD1-CE2 3.82Å; D22-F26 PolarHBondContact O-N 3.13Å; F26-S28 PolarHBondContact O-N 2.93Å; F26-C31 HydrophobicContact CE1-CB 4.47Å; F26-C31 HydrophobicContact CZ-CB 4.04Å; F26-P38 HydrophobicContact CE1-CG 4.49Å; F26-P38 WeakPolarHBondContact CE1-O 3.45Å; F26-P40 HydrophobicContact CB-CG 3.96Å; F26-P40 HydrophobicContact CD1-CG 4.18Å; F26-P40 HydrophobicContact CD2-CB 4.07Å; F26-P40 HydrophobicContact CD2-CG 3.67Å; F26-P40 HydrophobicContact CE2-CB 4.22Å; F26-P40 HydrophobicContact CE2-CG 4.16Å; F26-P40 HydrophobicContact CG-CG 3.66Å; F26-F43 HydrophobicContact CE2-CB 4.33Å; F26-F43 HydrophobicContact CZ-CB 4.33Å
27D67.9Low70.1Confident71 Ų7177.6 Ų77.638%0.3844%0.442SS..  trans-8798.5175.4-162.3-13.4000110.3N25 K29 F30N25-D27 PolarHBondContact O-N 3.48Å; D27-K29 PolarHBondContact O-N 2.85Å; D27-K29 VanDerWaalsContact O-N 3.07Å; D27-K29 WeakPolarHBondContact OD1-CB 3.33Å; D27-K29 PolarHBondContact OD1-N 3.08Å; D27-K29 VanDerWaalsContact OD1-N 3.15Å; D27-F30 HydrophobicContact CB-CD2 4.21Å; D27-F30 PolarHBondContact O-N 3.34Å; D27-F30 WeakPolarHBondContact OD2-CD2 3.41Å; D27-F30 WeakPolarHBondContact OD2-CE2 3.37Å
28S71.3Confident69.9Low48 Ų4876.4 Ų76.434%0.33644%0.437SS..G310 helixtrans-56.3-22.5177.961.50000114F26 F30F26-S28 PolarHBondContact O-N 2.93Å; S28-F30 PolarHBondContact O-N 3.13Å
29K67.2Low70Confident181 Ų18177 Ų7779%0.78745%0.445SS*.G310 helixtrans-70.8-29.1-176-67.4-178.2-179.5176.40113.9D27D27-K29 PolarHBondContact O-N 2.85Å; D27-K29 VanDerWaalsContact O-N 3.07Å; D27-K29 WeakPolarHBondContact OD1-CB 3.33Å; D27-K29 PolarHBondContact OD1-N 3.08Å; D27-K29 VanDerWaalsContact OD1-N 3.15Å
30F68.2Low70.4Confident150 Ų15071.9 Ų71.966%0.65842%0.42SS*.G310 helixtrans-101.81-177.2-65-74.8000113.1F17 D27 S28 P32F17-F30 WeakPolarHBondContact CD2-O 3.34Å; F17-F30 HydrophobicContact CE2-CB 4.04Å; F17-F30 WeakPolarHBondContact CE2-O 3.48Å; D27-F30 HydrophobicContact CB-CD2 4.21Å; D27-F30 PolarHBondContact O-N 3.34Å; D27-F30 WeakPolarHBondContact OD2-CD2 3.41Å; D27-F30 WeakPolarHBondContact OD2-CE2 3.37Å; S28-F30 PolarHBondContact O-N 3.13Å; F30-P32 WeakPolarHBondContact O-CD 3.45Å
31C70Confident71.1Confident14 Ų1466.4 Ų66.410%0.09539%0.392CS..  trans-73.4122.4-174.6-170.90000110F17 F26 T33 P38 F43F17-C31 HydrophobicContact CE1-CB 3.93Å; F17-C31 VanDerWaalsContact CE1-SG 3.6Å; F17-C31 HydrophobicContact CE2-CB 4.36Å; F17-C31 HydrophobicContact CZ-CB 3.73Å; F26-C31 HydrophobicContact CE1-CB 4.47Å; F26-C31 HydrophobicContact CZ-CB 4.04Å; C31-T33 PolarHBondContact O-N 2.86Å; C31-T33 PolarHBondContact SG-OG1 3.24Å; C31-P38 HydrophobicContact CB-CB 4.48Å; C31-P38 HydrophobicContact CB-CG 3.45Å; C31-P38 VanDerWaalsContact CB-CG 3.45Å; C31-F43 VanDerWaalsContact SG-CD2 3.57Å
32P73Confident71.9Confident24 Ų2466.7 Ų66.716%0.15639%0.394CS..  trans-7852.1-178.133.3-35.9000111.1E13 M14 F17 F30E13-P32 HydrophobicContact CB-CB 3.76Å; E13-P32 HydrophobicContact CB-CG 4.16Å; M14-P32 HydrophobicContact CG-CG 4.04Å; F17-P32 HydrophobicContact CB-CG 3.79Å; F17-P32 VanDerWaalsContact CG-CD 3.44Å; F17-P32 HydrophobicContact CG-CG 4.16Å; F30-P32 WeakPolarHBondContact O-CD 3.45Å
33T70.9Confident73Confident17 Ų1763.2 Ų63.210%0.10438%0.375CS..SBendtrans-106.8143.9179.1-53.70000108C31 L35 P38 Q46C31-T33 PolarHBondContact O-N 2.86Å; C31-T33 PolarHBondContact SG-OG1 3.24Å; T33-L35 HydrophobicContact CG2-CB 3.96Å; T33-L35 HydrophobicContact CG2-CD1 3.42Å; T33-L35 VanDerWaalsContact CG2-CD1 3.42Å; T33-L35 HydrophobicContact CG2-CG 4.28Å; T33-L35 PolarHBondContact O-N 2.96Å; T33-P38 HydrophobicContact CG2-CB 3.98Å; T33-Q46 HydrophobicContact CG2-CB 4.37Å
34S70.1Confident74.3Confident77 Ų7760.5 Ų60.554%0.53836%0.357SS..SBendtrans-68.17.5174.559.50000114.4Q46S34-Q46 PolarHBondContact OG-NE2 3.37Å
35L66Low75.7Confident58 Ų5854.9 Ų54.930%0.30432%0.323SS..SBendtrans-104144.7-178.1-76.890.8000110.2T33 S37 I111T33-L35 HydrophobicContact CG2-CB 3.96Å; T33-L35 HydrophobicContact CG2-CD1 3.42Å; T33-L35 VanDerWaalsContact CG2-CD1 3.42Å; T33-L35 HydrophobicContact CG2-CG 4.28Å; T33-L35 PolarHBondContact O-N 2.96Å; L35-S37 PolarHBondContact O-N 3.46Å; L35-I111 HydrophobicContact CD1-CD1 3.44Å; L35-I111 VanDerWaalsContact CD1-CD1 3.44Å; L35-I111 HydrophobicContact CD1-CG1 4.26Å; L35-I111 HydrophobicContact CD2-CD1 4.1Å; L35-I111 HydrophobicContact CG-CD1 4.45Å
36G66.6Low77.1Confident88 Ų8849.9 Ų49.991%0.90730%0.296SS*.SBendtrans-69.9-30.9-176.200000115.2
37S69.2Low78.2Confident97 Ų9748 Ų4868%0.67829%0.288SS*.SBendtrans-14176.1176.563.50000109.8L35L35-S37 PolarHBondContact O-N 3.46Å
38P78.2Confident79.4Confident7 Ų744.7 Ų44.75%0.04527%0.27CS..  trans-69.3143.1-175.227.1-31.8000110.6F26 C31 T33 D42F26-P38 HydrophobicContact CE1-CG 4.49Å; F26-P38 WeakPolarHBondContact CE1-O 3.45Å; C31-P38 HydrophobicContact CB-CB 4.48Å; C31-P38 HydrophobicContact CB-CG 3.45Å; C31-P38 VanDerWaalsContact CB-CG 3.45Å; T33-P38 HydrophobicContact CG2-CB 3.98Å; P38-D42 HydrophobicContact CB-CB 4.37Å
39S84Confident80.5Confident43 Ų4342.4 Ų42.430%0.30125%0.254SS..  trans-87.7164.4162.371.70000110.2V41 D42 F43S39-V41 PolarHBondContact O-N 3.48Å; S39-V41 VanDerWaalsContact O-N 3.13Å; S39-V41 PolarHBondContact OG-N 2.88Å; S39-D42 VanDerWaalsContact CB-OD2 3.31Å; S39-D42 WeakPolarHBondContact CB-OD2 3.25Å; S39-D42 PolarHBondContact N-OD2 2.82Å; S39-D42 PolarHBondContact O-N 3.44Å; S39-D42 PolarHBondContact OG-N 2.93Å; S39-D42 PolarHBondContact OG-OD2 2.63Å; S39-F43 PolarHBondContact O-N 3.37Å
40P84.9Confident81.7Confident36 Ų3634 Ų3423%0.23422%0.218CC..Hα-helixtrans-54-32.4171.5-23.729.8000112.9F26 Y44 I71F26-P40 HydrophobicContact CB-CG 3.96Å; F26-P40 HydrophobicContact CD1-CG 4.18Å; F26-P40 HydrophobicContact CD2-CB 4.07Å; F26-P40 HydrophobicContact CD2-CG 3.67Å; F26-P40 HydrophobicContact CE2-CB 4.22Å; F26-P40 HydrophobicContact CE2-CG 4.16Å; F26-P40 HydrophobicContact CG-CG 3.66Å; P40-Y44 VanDerWaalsContact O-CD2 3.31Å; P40-Y44 WeakPolarHBondContact O-CD2 3.38Å; P40-Y44 PolarHBondContact O-N 3.15Å; P40-Y44 VanDerWaalsContact O-N 3.16Å; P40-I71 HydrophobicContact CB-CD1 3.94Å
41V88.4Confident83Confident31 Ų3127.6 Ų27.619%0.18819%0.189CC..Hα-helixtrans-67.5-44.1176.9173.90000110.7S39 F43 Y44 L45 I71 N74 I77S39-V41 PolarHBondContact O-N 3.48Å; S39-V41 VanDerWaalsContact O-N 3.13Å; S39-V41 PolarHBondContact OG-N 2.88Å; V41-F43 VanDerWaalsContact C-N 3.32Å; V41-F43 PolarHBondContact O-N 3.12Å; V41-Y44 PolarHBondContact O-N 3.36Å; V41-L45 VanDerWaalsContact O-CB 3.24Å; V41-L45 WeakPolarHBondContact O-CB 3.1Å; V41-L45 PolarHBondContact O-N 2.88Å; V41-I71 HydrophobicContact CG2-CG2 4.3Å; V41-N74 HydrophobicContact CG1-CB 4.06Å; V41-I77 HydrophobicContact CG1-CD1 3.99Å; V41-I77 HydrophobicContact CG1-CG1 4.39Å
42D89.5Confident84.1Confident37 Ų3727 Ų2720%0.19819%0.185CC..Hα-helixtrans-65.5-38.2179.4-57.3-49.7000111.4P38 S39 L45 Q46 I111P38-D42 HydrophobicContact CB-CB 4.37Å; S39-D42 VanDerWaalsContact CB-OD2 3.31Å; S39-D42 WeakPolarHBondContact CB-OD2 3.25Å; S39-D42 PolarHBondContact N-OD2 2.82Å; S39-D42 PolarHBondContact O-N 3.44Å; S39-D42 PolarHBondContact OG-N 2.93Å; S39-D42 PolarHBondContact OG-OD2 2.63Å; D42-L45 PolarHBondContact O-N 3.15Å; D42-Q46 WeakPolarHBondContact O-CB 3.36Å; D42-Q46 PolarHBondContact O-N 2.85Å; D42-I111 HydrophobicContact CB-CD1 4.26Å
43F88.9Confident85Confident0 Ų026.1 Ų26.10%018%0.179CC..Hα-helixtrans-57.6-55.2173.2171-102000111.1M14 F17 E18 F26 C31 S39 V41 L45 Q46 Y47M14-F43 HydrophobicContact CB-CE2 4.03Å; M14-F43 HydrophobicContact CB-CZ 4.35Å; M14-F43 HydrophobicContact CE-CD2 3.48Å; M14-F43 VanDerWaalsContact CE-CD2 3.48Å; M14-F43 HydrophobicContact CE-CE2 3.58Å; M14-F43 HydrophobicContact CE-CG 4.31Å; M14-F43 HydrophobicContact CE-CZ 4.46Å; M14-F43 VanDerWaalsContact CE-O 3.23Å; M14-F43 WeakPolarHBondContact CE-O 3.42Å; M14-F43 HydrophobicContact CG-CE2 4.07Å; M14-F43 WeakPolarHBondContact O-CZ 3.26Å; F17-F43 HydrophobicContact CB-CE2 4.4Å; F17-F43 AromaticContact CD1-CD2 3.89Å; F17-F43 HydrophobicContact CD1-CD2 3.89Å; F17-F43 HydrophobicContact CD1-CE1 4.44Å; F17-F43 AromaticContact CD1-CE2 3.48Å; F17-F43 HydrophobicContact CD1-CE2 3.48Å; F17-F43 VanDerWaalsContact CD1-CE2 3.48Å; F17-F43 AromaticContact CD1-CZ 3.8Å; F17-F43 HydrophobicContact CD1-CZ 3.8Å; F17-F43 HydrophobicContact CE1-CD2 4.17Å; F17-F43 HydrophobicContact CE1-CE2 4.21Å; F17-F43 HydrophobicContact CG-CE2 4.37Å; E18-F43 HydrophobicContact CB-CE1 4.38Å; E18-F43 HydrophobicContact CB-CZ 4.21Å; F26-F43 HydrophobicContact CE2-CB 4.33Å; F26-F43 HydrophobicContact CZ-CB 4.33Å; C31-F43 VanDerWaalsContact SG-CD2 3.57Å; S39-F43 PolarHBondContact O-N 3.37Å; V41-F43 VanDerWaalsContact C-N 3.32Å; V41-F43 PolarHBondContact O-N 3.12Å; F43-L45 VanDerWaalsContact C-N 3.3Å; F43-L45 PolarHBondContact O-N 3.04Å; F43-Q46 PolarHBondContact O-N 2.97Å; F43-Y47 HydrophobicContact CE1-CD1 4.07Å; F43-Y47 HydrophobicContact CZ-CD1 4.03Å; F43-Y47 VanDerWaalsContact O-CB 3.25Å; F43-Y47 WeakPolarHBondContact O-CB 3.38Å; F43-Y47 PolarHBondContact O-N 3.2Å
44Y91.3Very high86Confident11 Ų1129.3 Ų29.34%0.04319%0.191CC..Hα-helixtrans-67.3-30.4-180-83.6-69.8000113.2E18 L21 P40 V41 Y47 L48 L63 M67 I71E18-Y44 WeakPolarHBondContact OE1-CE1 3.35Å; E18-Y44 PolarHBondContact OE1-OH 2.97Å; L21-Y44 HydrophobicContact CD2-CE2 4.08Å; P40-Y44 VanDerWaalsContact O-CD2 3.31Å; P40-Y44 WeakPolarHBondContact O-CD2 3.38Å; P40-Y44 PolarHBondContact O-N 3.15Å; P40-Y44 VanDerWaalsContact O-N 3.16Å; V41-Y44 PolarHBondContact O-N 3.36Å; Y44-Y47 HydrophobicContact CD1-CD1 4.44Å; Y44-L48 VanDerWaalsContact O-CB 3.26Å; Y44-L48 WeakPolarHBondContact O-CB 3.44Å; Y44-L48 PolarHBondContact O-N 3.26Å; Y44-L63 HydrophobicContact CD1-CD1 4.05Å; Y44-L63 HydrophobicContact CE1-CD1 3.93Å; Y44-M67 HydrophobicContact CD1-CE 4.28Å; Y44-M67 HydrophobicContact CD1-CG 3.63Å; Y44-M67 HydrophobicContact CD1-SD 4.39Å; Y44-M67 HydrophobicContact CE1-CG 3.92Å; Y44-M67 HydrophobicContact CG-CG 4.19Å; Y44-I71 HydrophobicContact CD2-CD1 3.53Å; Y44-I71 HydrophobicContact CD2-CG2 3.83Å; Y44-I71 HydrophobicContact CE2-CD1 3.59Å; Y44-I71 HydrophobicContact CG-CG2 4.11Å
45L92.5Very high87Confident1 Ų128.4 Ų28.41%0.00519%0.185CC..Hα-helixtrans-65-49.4173.9-173.268.6000110.5V41 D42 F43 Y47 L48 G49 I77 L80 I111 L112 M115V41-L45 VanDerWaalsContact O-CB 3.24Å; V41-L45 WeakPolarHBondContact O-CB 3.1Å; V41-L45 PolarHBondContact O-N 2.88Å; D42-L45 PolarHBondContact O-N 3.15Å; F43-L45 VanDerWaalsContact C-N 3.3Å; F43-L45 PolarHBondContact O-N 3.04Å; L45-Y47 VanDerWaalsContact C-N 3.34Å; L45-Y47 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 3.05Å; L45-G49 PolarHBondContact O-N 2.78Å; L45-I77 HydrophobicContact CB-CG1 4.26Å; L45-I77 HydrophobicContact CD1-CG1 3.97Å; L45-L80 HydrophobicContact CD1-CB 4.02Å; L45-L80 HydrophobicContact CD1-CD2 3.6Å; L45-L80 HydrophobicContact CD1-CG 4.47Å; L45-L80 HydrophobicContact CG-CD2 4.29Å; L45-L80 WeakPolarHBondContact O-CD2 3.46Å; L45-I111 HydrophobicContact CD2-CB 4.48Å; L45-I111 HydrophobicContact CD2-CD1 4.18Å; L45-I111 HydrophobicContact CD2-CG1 4.18Å; L45-I111 HydrophobicContact CD2-CG2 3.63Å; L45-L112 HydrophobicContact CD1-CD1 4.22Å; L45-M115 HydrophobicContact CG-SD 4.2Å; L45-M115 WeakPolarHBondContact O-CE 3.5Å
46Q91.9Very high88.3Confident17 Ų1727.6 Ų27.68%0.07918%0.181CC..Hα-helixtrans-62.1-43.6176.1-179.3156.45400111.3Q10 M14 T33 S34 D42 F43 L48 G49 L50 M115Q10-Q46 VanDerWaalsContact NE2-NE2 3.16Å; M14-Q46 HydrophobicContact CE-CB 3.84Å; M14-Q46 HydrophobicContact CE-CG 3.88Å; M14-Q46 HydrophobicContact SD-CG 4.09Å; T33-Q46 HydrophobicContact CG2-CB 4.37Å; S34-Q46 PolarHBondContact OG-NE2 3.37Å; D42-Q46 WeakPolarHBondContact O-CB 3.36Å; D42-Q46 PolarHBondContact O-N 2.85Å; F43-Q46 PolarHBondContact O-N 2.97Å; Q46-L48 PolarHBondContact O-N 3.32Å; Q46-G49 PolarHBondContact O-N 3.21Å; Q46-L50 HydrophobicContact CG-CG 4.41Å; Q46-L50 WeakPolarHBondContact O-CG 3.35Å; Q46-L50 PolarHBondContact O-N 2.88Å; Q46-M115 HydrophobicContact CB-CE 4.34Å; Q46-M115 HydrophobicContact CG-CE 4.35Å; Q46-M115 WeakPolarHBondContact O-CE 3.4Å
47Y92Very high89.6Confident1 Ų125.6 Ų25.60%0.00415%0.149CC..Hα-helixtrans-63.8-44.1-178.5-168.4-170000112.1L11 M14 V15 E18 F43 Y44 L45 L50 Y51 L63 R66L11-Y47 HydrophobicContact CD1-CD2 3.79Å; L11-Y47 HydrophobicContact CD1-CE2 3.54Å; M14-Y47 HydrophobicContact CB-CD2 3.94Å; M14-Y47 HydrophobicContact CB-CE2 4.14Å; M14-Y47 HydrophobicContact CB-CG 4.25Å; M14-Y47 HydrophobicContact CE-CG 4.46Å; M14-Y47 HydrophobicContact SD-CD2 4.24Å; M14-Y47 HydrophobicContact SD-CG 4.35Å; V15-Y47 HydrophobicContact CG2-CE2 4.15Å; V15-Y47 WeakPolarHBondContact CG2-OH 3.27Å; E18-Y47 HydrophobicContact CB-CE1 4.33Å; E18-Y47 WeakPolarHBondContact OE2-CE1 3.48Å; F43-Y47 HydrophobicContact CE1-CD1 4.07Å; F43-Y47 HydrophobicContact CZ-CD1 4.03Å; F43-Y47 VanDerWaalsContact O-CB 3.25Å; F43-Y47 WeakPolarHBondContact O-CB 3.38Å; F43-Y47 PolarHBondContact O-N 3.2Å; Y44-Y47 HydrophobicContact CD1-CD1 4.44Å; L45-Y47 VanDerWaalsContact C-N 3.34Å; L45-Y47 PolarHBondContact O-N 3.43Å; Y47-L50 PolarHBondContact O-N 3.48Å; Y47-Y51 HydrophobicContact CD2-CD2 4.08Å; Y47-Y51 AromaticContact CD2-CE2 3.74Å; Y47-Y51 HydrophobicContact CD2-CE2 3.74Å; Y47-Y51 HydrophobicContact CE1-CE2 4.49Å; Y47-Y51 HydrophobicContact CE2-CD2 4Å; Y47-Y51 AromaticContact CE2-CE2 3.21Å; Y47-Y51 HydrophobicContact CE2-CE2 3.21Å; Y47-Y51 AromaticContact CE2-CZ 3.62Å; Y47-Y51 AromaticContact CZ-CE2 3.65Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.43Å; Y47-Y51 PolarHBondContact O-N 2.91Å; Y47-Y51 PolarHBondContact OH-OH 2.95Å; Y47-Y51 VanDerWaalsContact OH-OH 3.05Å; Y47-L63 HydrophobicContact CD1-CD1 3.55Å; Y47-L63 HydrophobicContact CD1-CD2 3.86Å; Y47-L63 HydrophobicContact CD1-CG 4.38Å; Y47-L63 HydrophobicContact CD2-CD2 4.35Å; Y47-L63 HydrophobicContact CE1-CD1 3.46Å; Y47-L63 VanDerWaalsContact CE1-CD1 3.46Å; Y47-L63 HydrophobicContact CE1-CD2 4.34Å; Y47-L63 HydrophobicContact CG-CD1 4.37Å; Y47-L63 HydrophobicContact CG-CD2 3.85Å; Y47-R66 PolarHBondContact OH-NH2 3.14Å
48L94.3Very high90.7Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-63-46.9176179.260.7000111.5Y44 L45 Q46 L50 Y51 L52 A60 L63 C64 M67 L80 W81Y44-L48 VanDerWaalsContact O-CB 3.26Å; Y44-L48 WeakPolarHBondContact O-CB 3.44Å; Y44-L48 PolarHBondContact O-N 3.26Å; L45-L48 PolarHBondContact O-N 3.05Å; Q46-L48 PolarHBondContact O-N 3.32Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 3.45Å; L48-Y51 PolarHBondContact O-N 3.36Å; L48-L52 HydrophobicContact CG-CD1 4.43Å; L48-L52 WeakPolarHBondContact O-CG 3.21Å; L48-L52 PolarHBondContact O-N 3.18Å; L48-L52 VanDerWaalsContact O-N 3.1Å; L48-A60 HydrophobicContact CD1-CB 3.99Å; L48-L63 HydrophobicContact CB-CD2 4.01Å; L48-L63 HydrophobicContact CD1-CD2 4.28Å; L48-C64 VanDerWaalsContact CD1-SG 3.6Å; L48-M67 HydrophobicContact CB-CE 3.93Å; L48-M67 HydrophobicContact CD1-CE 4.3Å; L48-M67 HydrophobicContact CD2-CE 4.12Å; L48-M67 HydrophobicContact CG-CE 4.34Å; L48-L80 HydrophobicContact CB-CD2 4.26Å; L48-L80 HydrophobicContact CD2-CB 4.37Å; L48-L80 HydrophobicContact CD2-CD2 4.18Å; L48-L80 HydrophobicContact CD2-CG 4.2Å; L48-L80 HydrophobicContact CG-CD2 4.2Å; L48-L80 HydrophobicContact CG-CG 4.46Å; L48-W81 HydrophobicContact CD1-CE3 4.06Å; L48-W81 HydrophobicContact CD1-CZ3 4.42Å; L48-W81 HydrophobicContact CD2-CB 4.01Å; L48-W81 HydrophobicContact CD2-CE3 4.43Å
49G94Very high91.4Very high0 Ų029 Ų290%016%0.158CC..Hα-helixtrans-72.3-25.2-177.500000113.3L45 Q46 L52 M53L45-G49 PolarHBondContact O-N 2.78Å; Q46-G49 PolarHBondContact O-N 3.21Å; G49-L52 PolarHBondContact O-N 3.47Å; G49-M53 VanDerWaalsContact O-CG 3.25Å; G49-M53 WeakPolarHBondContact O-CG 3.29Å; G49-M53 PolarHBondContact O-N 2.96Å
50L92.4Very high91.9Very high6 Ų627 Ų273%0.03114%0.144CC..Hα-helixtrans-60.3-46.6167.6-74.7-179.7000111.5L7 Q10 L11 M14 Q46 Y47 L48 L52 M53 K54L7-L50 HydrophobicContact CD2-CD2 3.53Å; Q10-L50 HydrophobicContact CB-CD1 4.27Å; Q10-L50 HydrophobicContact CG-CD1 3.84Å; L11-L50 HydrophobicContact CD1-CB 4.05Å; L11-L50 HydrophobicContact CD1-CD1 4.4Å; M14-L50 HydrophobicContact CG-CD1 4.4Å; M14-L50 HydrophobicContact SD-CD1 3.29Å; M14-L50 WeakPolarHBondContact SD-CD1 3.34Å; M14-L50 HydrophobicContact SD-CG 4.37Å; Q46-L50 HydrophobicContact CG-CG 4.41Å; Q46-L50 WeakPolarHBondContact O-CG 3.35Å; Q46-L50 PolarHBondContact O-N 2.88Å; Y47-L50 PolarHBondContact O-N 3.48Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 3.45Å; L50-L52 VanDerWaalsContact C-N 3.28Å; L50-L52 PolarHBondContact O-N 3.49Å; L50-M53 PolarHBondContact O-N 3.24Å; L50-K54 PolarHBondContact O-N 2.96Å
51Y94.4Very high92.4Very high15 Ų1530.8 Ų30.86%0.05915%0.154CC..Hα-helixtrans-59-40.6174.7-79.1-57.5000112L11 Y47 L48 K54 S55 D56 N59 L63L11-Y51 HydrophobicContact CD1-CD1 4.01Å; L11-Y51 HydrophobicContact CD1-CD2 4.38Å; L11-Y51 HydrophobicContact CD1-CE1 3.82Å; L11-Y51 HydrophobicContact CD1-CE2 4.22Å; L11-Y51 HydrophobicContact CD1-CG 4.28Å; L11-Y51 HydrophobicContact CD2-CD1 4.06Å; L11-Y51 HydrophobicContact CD2-CE1 3.75Å; L11-Y51 HydrophobicContact CG-CE1 4.22Å; Y47-Y51 HydrophobicContact CD2-CD2 4.08Å; Y47-Y51 AromaticContact CD2-CE2 3.74Å; Y47-Y51 HydrophobicContact CD2-CE2 3.74Å; Y47-Y51 HydrophobicContact CE1-CE2 4.49Å; Y47-Y51 HydrophobicContact CE2-CD2 4Å; Y47-Y51 AromaticContact CE2-CE2 3.21Å; Y47-Y51 HydrophobicContact CE2-CE2 3.21Å; Y47-Y51 AromaticContact CE2-CZ 3.62Å; Y47-Y51 AromaticContact CZ-CE2 3.65Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.43Å; Y47-Y51 PolarHBondContact O-N 2.91Å; Y47-Y51 PolarHBondContact OH-OH 2.95Å; Y47-Y51 VanDerWaalsContact OH-OH 3.05Å; L48-Y51 PolarHBondContact O-N 3.36Å; Y51-K54 PolarHBondContact O-N 2.84Å; Y51-S55 PolarHBondContact O-N 3.27Å; Y51-D56 HydrophobicContact CD1-CB 4.05Å; Y51-D56 PolarHBondContact O-N 2.91Å; Y51-N59 HydrophobicContact CD1-CB 3.72Å; Y51-N59 HydrophobicContact CE1-CB 3.36Å; Y51-N59 HydrophobicContact CE2-CB 4.41Å; Y51-N59 HydrophobicContact CG-CB 4.39Å; Y51-L63 HydrophobicContact CD2-CB 4.41Å; Y51-L63 HydrophobicContact CD2-CD2 3.83Å; Y51-L63 HydrophobicContact CE2-CB 4.26Å; Y51-L63 HydrophobicContact CE2-CD2 4Å
52L94.4Very high92.6Very high0 Ų034.1 Ų34.10%017%0.166CC..Hα-helixtrans-68-36.7176.9-63.6180000112.7L48 G49 L50 K54 S55 L57 A60 L80 L87 I119L48-L52 HydrophobicContact CG-CD1 4.43Å; L48-L52 WeakPolarHBondContact O-CG 3.21Å; L48-L52 PolarHBondContact O-N 3.18Å; L48-L52 VanDerWaalsContact O-N 3.1Å; G49-L52 PolarHBondContact O-N 3.47Å; L50-L52 VanDerWaalsContact C-N 3.28Å; L50-L52 PolarHBondContact O-N 3.49Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-S55 PolarHBondContact O-N 3.31Å; L52-S55 VanDerWaalsContact O-N 3.11Å; L52-L57 HydrophobicContact CD2-CD2 4.06Å; L52-A60 HydrophobicContact CD2-CB 4.06Å; L52-L80 HydrophobicContact CD1-CD1 4Å; L52-L80 HydrophobicContact CD1-CG 3.96Å; L52-L87 HydrophobicContact CD2-CD1 4.27Å; L52-I119 HydrophobicContact CB-CD1 3.7Å; L52-I119 HydrophobicContact CB-CG1 4.08Å; L52-I119 HydrophobicContact CB-CG2 4.29Å; L52-I119 HydrophobicContact CD1-CD1 4.08Å
53M92.2Very high92.7Very high7 Ų732.3 Ų32.33%0.03416%0.156CC..Hα-helixtrans-65.3-36.7174.8-72.8176.9-150.200112L7 G49 L50 S55 M115 Q118 I119 R122L7-M53 HydrophobicContact CD1-CB 4.38Å; G49-M53 VanDerWaalsContact O-CG 3.25Å; G49-M53 WeakPolarHBondContact O-CG 3.29Å; G49-M53 PolarHBondContact O-N 2.96Å; L50-M53 PolarHBondContact O-N 3.24Å; M53-S55 PolarHBondContact O-N 3.29Å; M53-M115 HydrophobicContact CE-CB 4Å; M53-M115 HydrophobicContact CE-CE 3.87Å; M53-M115 HydrophobicContact CE-CG 4.02Å; M53-Q118 HydrophobicContact CE-CB 3.8Å; M53-Q118 HydrophobicContact CG-CB 4.42Å; M53-Q118 HydrophobicContact SD-CB 3.93Å; M53-I119 HydrophobicContact CB-CG1 4.46Å; M53-I119 HydrophobicContact CE-CG1 4.25Å; M53-I119 HydrophobicContact CG-CD1 4.49Å; M53-I119 HydrophobicContact CG-CG1 3.47Å; M53-I119 VanDerWaalsContact CG-CG1 3.47Å; M53-R122 VanDerWaalsContact O-CD 3.23Å; M53-R122 WeakPolarHBondContact O-CD 3.42Å; M53-R122 PolarHBondContact O-NH1 3.4Å
54K91.4Very high92.9Very high83 Ų8332.5 Ų32.536%0.36116%0.158SC..THydrogen-bonded Turntrans-74.9-7.3173.9-168.4170-177.1171.30113E8 L11 L50 Y51 L52 D56E8-K54 IonicContact OE1-NZ 2.82Å; E8-K54 PolarHBondContact OE1-NZ 2.97Å; L11-K54 HydrophobicContact CD2-CD 4.36Å; L50-K54 PolarHBondContact O-N 2.96Å; Y51-K54 PolarHBondContact O-N 2.84Å; L52-K54 VanDerWaalsContact C-N 3.33Å; K54-D56 HydrophobicContact CB-CB 4.41Å; K54-D56 HydrophobicContact CG-CB 4.44Å; K54-D56 PolarHBondContact O-N 3.45Å
55S90.4Very high92.9Very high59 Ų5938.8 Ų38.841%0.41319%0.185SC..THydrogen-bonded Turntrans57.527.3-169.1-53.70000113.2Y51 L52 M53 L57 Q123Y51-S55 PolarHBondContact O-N 3.27Å; L52-S55 PolarHBondContact O-N 3.31Å; L52-S55 VanDerWaalsContact O-N 3.11Å; M53-S55 PolarHBondContact O-N 3.29Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 3.47Å; S55-L57 VanDerWaalsContact O-N 3.11Å; S55-Q123 PolarHBondContact OG-NE2 2.82Å
56D92.8Very high92.9Very high40 Ų4044.7 Ų44.721%0.21421%0.207CC..  trans-88.374.5175.4-172.4-10.1000110.2Y51 K54 I58 N59 A60Y51-D56 HydrophobicContact CD1-CB 4.05Å; Y51-D56 PolarHBondContact O-N 2.91Å; K54-D56 HydrophobicContact CB-CB 4.41Å; K54-D56 HydrophobicContact CG-CB 4.44Å; K54-D56 PolarHBondContact O-N 3.45Å; D56-I58 VanDerWaalsContact C-N 3.29Å; D56-I58 PolarHBondContact O-N 3.3Å; D56-N59 VanDerWaalsContact CG-ND2 3.32Å; D56-N59 WeakPolarHBondContact OD1-CB 3.32Å; D56-N59 PolarHBondContact OD1-N 3.22Å; D56-N59 PolarHBondContact OD1-ND2 3.33Å; D56-N59 PolarHBondContact OD2-ND2 2.86Å; D56-A60 WeakPolarHBondContact O-CB 3.2Å; D56-A60 PolarHBondContact O-N 2.91Å
57L93.7Very high92.7Very high46 Ų4644.2 Ų44.224%0.24121%0.205CC..Hα-helixtrans-71.4-26-170.5-55.8179.3000112.8L52 S55 R61 L87 V88L52-L57 HydrophobicContact CD2-CD2 4.06Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 3.47Å; S55-L57 VanDerWaalsContact O-N 3.11Å; L57-R61 WeakPolarHBondContact O-CB 3.41Å; L57-R61 PolarHBondContact O-N 2.57Å; L57-R61 VanDerWaalsContact O-N 3.09Å; L57-L87 HydrophobicContact CD1-CB 4.18Å; L57-L87 WeakPolarHBondContact CD1-O 3.44Å; L57-L87 HydrophobicContact CD2-CB 3.72Å; L57-L87 HydrophobicContact CD2-CD1 4.36Å; L57-V88 HydrophobicContact CB-CG2 3.91Å
58I93.9Very high92.6Very high112 Ų11246.2 Ų46.257%0.57422%0.218SC*.Hα-helixtrans-69.6-50.9178.6-65.1175.3000109.2D56 R61 F62D56-I58 VanDerWaalsContact C-N 3.29Å; D56-I58 PolarHBondContact O-N 3.3Å; I58-R61 WeakPolarHBondContact O-CB 3.19Å; I58-R61 PolarHBondContact O-N 3.33Å; I58-F62 HydrophobicContact CG2-CD2 3.78Å; I58-F62 HydrophobicContact CG2-CE2 3.37Å; I58-F62 HydrophobicContact CG2-CZ 4.39Å; I58-F62 WeakPolarHBondContact O-CD2 3.26Å; I58-F62 PolarHBondContact O-N 2.83Å
59N93Very high92.4Very high64 Ų6452.5 Ų52.534%0.34225%0.251SS..Hα-helixtrans-69.2-35.2179.2-70.4-36.3000112Y51 D56 R61 F62 L63Y51-N59 HydrophobicContact CD1-CB 3.72Å; Y51-N59 HydrophobicContact CE1-CB 3.36Å; Y51-N59 HydrophobicContact CE2-CB 4.41Å; Y51-N59 HydrophobicContact CG-CB 4.39Å; D56-N59 VanDerWaalsContact CG-ND2 3.32Å; D56-N59 WeakPolarHBondContact OD1-CB 3.32Å; D56-N59 PolarHBondContact OD1-N 3.22Å; D56-N59 PolarHBondContact OD1-ND2 3.33Å; D56-N59 PolarHBondContact OD2-ND2 2.86Å; N59-R61 VanDerWaalsContact C-N 3.27Å; N59-R61 PolarHBondContact O-N 3.29Å; N59-F62 PolarHBondContact O-N 3.4Å; N59-F62 VanDerWaalsContact O-N 3.17Å; N59-L63 WeakPolarHBondContact O-CB 3.19Å; N59-L63 PolarHBondContact O-N 3.49Å
60A94.3Very high92.2Very high0 Ų061.5 Ų61.50%029%0.29CS..Hα-helixtrans-56.1-42.1169.800000112.3L48 L52 D56 L63 C64 W81L48-A60 HydrophobicContact CD1-CB 3.99Å; L52-A60 HydrophobicContact CD2-CB 4.06Å; D56-A60 WeakPolarHBondContact O-CB 3.2Å; D56-A60 PolarHBondContact O-N 2.91Å; A60-L63 PolarHBondContact O-N 2.95Å; A60-C64 PolarHBondContact O-N 3.07Å; A60-C64 VanDerWaalsContact O-N 3.07Å; A60-C64 PolarHBondContact O-SG 3.07Å; A60-C64 VanDerWaalsContact O-SG 3.41Å; A60-W81 HydrophobicContact CB-CZ3 4.03Å
61R94.3Very high92Very high117 Ų11761.8 Ų61.844%0.44229%0.292SS..Hα-helixtrans-66.6-40.2177.5-167.1178.384.3164.52.8112.1L57 I58 N59 K65 W81L57-R61 WeakPolarHBondContact O-CB 3.41Å; L57-R61 PolarHBondContact O-N 2.57Å; L57-R61 VanDerWaalsContact O-N 3.09Å; I58-R61 WeakPolarHBondContact O-CB 3.19Å; I58-R61 PolarHBondContact O-N 3.33Å; N59-R61 VanDerWaalsContact C-N 3.27Å; N59-R61 PolarHBondContact O-N 3.29Å; R61-K65 WeakPolarHBondContact O-CG 3.29Å; R61-K65 PolarHBondContact O-N 3.01Å; R61-W81 HydrophobicContact CB-CH2 3.87Å; R61-W81 HydrophobicContact CB-CZ2 4.5Å; R61-W81 HydrophobicContact CG-CH2 4.09Å; R61-W81 HydrophobicContact CG-CZ2 4.24Å
62F93.9Very high91.9Very high100 Ų10064.8 Ų64.844%0.43931%0.305SS..Hα-helixtrans-67.6-42.4176.2-72.2-55.9000111.8I58 N59 C64 K65 R66I58-F62 HydrophobicContact CG2-CD2 3.78Å; I58-F62 HydrophobicContact CG2-CE2 3.37Å; I58-F62 HydrophobicContact CG2-CZ 4.39Å; I58-F62 WeakPolarHBondContact O-CD2 3.26Å; I58-F62 PolarHBondContact O-N 2.83Å; N59-F62 PolarHBondContact O-N 3.4Å; N59-F62 VanDerWaalsContact O-N 3.17Å; F62-C64 VanDerWaalsContact C-N 3.34Å; F62-C64 PolarHBondContact O-N 2.86Å; F62-K65 WeakPolarHBondContact O-CB 3.43Å; F62-K65 PolarHBondContact O-N 3.3Å; F62-R66 PolarHBondContact O-N 3.28Å
63L91.8Very high91.8Very high0 Ų071 Ų710%033%0.334CS..Hα-helixtrans-54-51.3174-17667.2000110.6Y44 Y47 L48 Y51 N59 A60 K65 R66 M67Y44-L63 HydrophobicContact CD1-CD1 4.05Å; Y44-L63 HydrophobicContact CE1-CD1 3.93Å; Y47-L63 HydrophobicContact CD1-CD1 3.55Å; Y47-L63 HydrophobicContact CD1-CD2 3.86Å; Y47-L63 HydrophobicContact CD1-CG 4.38Å; Y47-L63 HydrophobicContact CD2-CD2 4.35Å; Y47-L63 HydrophobicContact CE1-CD1 3.46Å; Y47-L63 VanDerWaalsContact CE1-CD1 3.46Å; Y47-L63 HydrophobicContact CE1-CD2 4.34Å; Y47-L63 HydrophobicContact CG-CD1 4.37Å; Y47-L63 HydrophobicContact CG-CD2 3.85Å; L48-L63 HydrophobicContact CB-CD2 4.01Å; L48-L63 HydrophobicContact CD1-CD2 4.28Å; Y51-L63 HydrophobicContact CD2-CB 4.41Å; Y51-L63 HydrophobicContact CD2-CD2 3.83Å; Y51-L63 HydrophobicContact CE2-CB 4.26Å; Y51-L63 HydrophobicContact CE2-CD2 4Å; N59-L63 WeakPolarHBondContact O-CB 3.19Å; N59-L63 PolarHBondContact O-N 3.49Å; A60-L63 PolarHBondContact O-N 2.95Å; L63-K65 PolarHBondContact O-N 3.24Å; L63-K65 VanDerWaalsContact O-N 3.11Å; L63-R66 HydrophobicContact CD1-CG 4.43Å; L63-R66 VanDerWaalsContact O-CG 3.3Å; L63-R66 WeakPolarHBondContact O-CG 3.15Å; L63-R66 PolarHBondContact O-N 3.26Å; L63-R66 VanDerWaalsContact O-N 3.07Å; L63-M67 HydrophobicContact CB-CE 4.42Å; L63-M67 HydrophobicContact CD2-CE 3.62Å; L63-M67 HydrophobicContact CG-CE 3.52Å; L63-M67 HydrophobicContact CG-CG 4.4Å; L63-M67 VanDerWaalsContact O-CG 3.31Å; L63-M67 WeakPolarHBondContact O-CG 3.15Å; L63-M67 PolarHBondContact O-N 2.75Å
64C91.9Very high91.9Very high4 Ų473.2 Ų73.23%0.02735%0.346CS..Hα-helixtrans-63.7-19.2179.2-71.80000115L48 A60 F62 K72 W81L48-C64 VanDerWaalsContact CD1-SG 3.6Å; A60-C64 PolarHBondContact O-N 3.07Å; A60-C64 VanDerWaalsContact O-N 3.07Å; A60-C64 PolarHBondContact O-SG 3.07Å; A60-C64 VanDerWaalsContact O-SG 3.41Å; F62-C64 VanDerWaalsContact C-N 3.34Å; F62-C64 PolarHBondContact O-N 2.86Å; C64-K72 PolarHBondContact O-NZ 3.32Å; C64-W81 HydrophobicContact CB-CD2 4.08Å; C64-W81 HydrophobicContact CB-CE3 4.38Å; C64-W81 HydrophobicContact CB-CZ2 4.24Å
65K92.2Very high92Very high142 Ų14272.9 Ų72.962%0.61736%0.359SS*.Hα-helixtrans-83.7-36.5173.7-75-177.6176.8-170.60112R61 F62 L63R61-K65 WeakPolarHBondContact O-CG 3.29Å; R61-K65 PolarHBondContact O-N 3.01Å; F62-K65 WeakPolarHBondContact O-CB 3.43Å; F62-K65 PolarHBondContact O-N 3.3Å; L63-K65 PolarHBondContact O-N 3.24Å; L63-K65 VanDerWaalsContact O-N 3.11Å
66R90.9Very high92.1Very high125 Ų12571 Ų7147%0.47235%0.345SS..Hα-helixtrans-85.1-20.3179.369.3176.6-177.6-144.8-8.9114.2E18 Y47 F62 L63E18-R66 IonicContact OE1-CZ 2.65Å; E18-R66 IonicContact OE1-NE 3.81Å; E18-R66 PolarHBondContact OE1-NE 3.48Å; E18-R66 IonicContact OE1-NH2 2.67Å; E18-R66 IonicContact OE2-CZ 3.01Å; E18-R66 IonicContact OE2-NE 2.93Å; E18-R66 PolarHBondContact OE2-NE 3.03Å; E18-R66 IonicContact OE2-NH1 3.66Å; E18-R66 IonicContact OE2-NH2 3.26Å; E18-R66 PolarHBondContact OE2-NH2 3.26Å; Y47-R66 PolarHBondContact OH-NH2 3.14Å; F62-R66 PolarHBondContact O-N 3.28Å; L63-R66 HydrophobicContact CD1-CG 4.43Å; L63-R66 VanDerWaalsContact O-CG 3.3Å; L63-R66 WeakPolarHBondContact O-CG 3.15Å; L63-R66 PolarHBondContact O-N 3.26Å; L63-R66 VanDerWaalsContact O-N 3.07Å
67M89.1Confident92.2Very high7 Ų769.2 Ų69.23%0.03434%0.336CS..SBendtrans-52.2133.2177.5-82.3179.7-156.200111.9Y44 L48 L63 L69 I77Y44-M67 HydrophobicContact CD1-CE 4.28Å; Y44-M67 HydrophobicContact CD1-CG 3.63Å; Y44-M67 HydrophobicContact CD1-SD 4.39Å; Y44-M67 HydrophobicContact CE1-CG 3.92Å; Y44-M67 HydrophobicContact CG-CG 4.19Å; L48-M67 HydrophobicContact CB-CE 3.93Å; L48-M67 HydrophobicContact CD1-CE 4.3Å; L48-M67 HydrophobicContact CD2-CE 4.12Å; L48-M67 HydrophobicContact CG-CE 4.34Å; L63-M67 HydrophobicContact CB-CE 4.42Å; L63-M67 HydrophobicContact CD2-CE 3.62Å; L63-M67 HydrophobicContact CG-CE 3.52Å; L63-M67 HydrophobicContact CG-CG 4.4Å; L63-M67 VanDerWaalsContact O-CG 3.31Å; L63-M67 WeakPolarHBondContact O-CG 3.15Å; L63-M67 PolarHBondContact O-N 2.75Å; M67-L69 PolarHBondContact O-N 3.48Å; M67-I77 HydrophobicContact SD-CG2 3.96Å
68P89.3Confident92.3Very high43 Ų4372.5 Ų72.528%0.27935%0.348SS..  trans-54.7138.5172.6-25.733.7000112.1T23 K70 I71 K72T23-P68 HydrophobicContact CG2-CG 4.17Å; P68-K70 VanDerWaalsContact C-N 3.29Å; P68-K70 PolarHBondContact O-N 3.45Å; P68-I71 HydrophobicContact CB-CD1 4.19Å; P68-I71 HydrophobicContact CB-CG1 4.31Å; P68-I71 HydrophobicContact CG-CD1 3.99Å; P68-I71 PolarHBondContact O-N 3.05Å; P68-K72 PolarHBondContact O-N 3.05Å
69L89.8Confident92.4Very high132 Ų13267.8 Ų67.869%0.69133%0.325SS*.Hα-helixtrans-55.2-42.3-175.9-70.7174.2000112.8M67 I71 K72 E73M67-L69 PolarHBondContact O-N 3.48Å; L69-I71 PolarHBondContact O-N 3.02Å; L69-K72 PolarHBondContact O-N 2.94Å; L69-E73 WeakPolarHBondContact O-CG 3.39Å; L69-E73 PolarHBondContact O-N 3.02Å
70K89.5Confident92.5Very high189 Ų18964.7 Ų64.782%0.82231%0.309SS*.Hα-helixtrans-56.7-37.2178-66.3-178178.6179.40112.9P68P68-K70 VanDerWaalsContact C-N 3.29Å; P68-K70 PolarHBondContact O-N 3.45Å
71I89.9Confident92.6Very high13 Ų1367 Ų677%0.06732%0.317CS..Hα-helixtrans-78.6-45.4-179.9-61.9177.7000109.3P40 V41 Y44 P68 L69 E73 N74 I77P40-I71 HydrophobicContact CB-CD1 3.94Å; V41-I71 HydrophobicContact CG2-CG2 4.3Å; Y44-I71 HydrophobicContact CD2-CD1 3.53Å; Y44-I71 HydrophobicContact CD2-CG2 3.83Å; Y44-I71 HydrophobicContact CE2-CD1 3.59Å; Y44-I71 HydrophobicContact CG-CG2 4.11Å; P68-I71 HydrophobicContact CB-CD1 4.19Å; P68-I71 HydrophobicContact CB-CG1 4.31Å; P68-I71 HydrophobicContact CG-CD1 3.99Å; P68-I71 PolarHBondContact O-N 3.05Å; L69-I71 PolarHBondContact O-N 3.02Å; I71-E73 PolarHBondContact O-N 3.5Å; I71-N74 WeakPolarHBondContact O-CB 3.23Å; I71-N74 PolarHBondContact O-N 3.46Å; I71-I77 HydrophobicContact CG2-CD1 3.3Å; I71-I77 WeakPolarHBondContact O-CD1 3Å
72K91.3Very high92.7Very high77 Ų7763.7 Ų63.734%0.33531%0.307SS..Hα-helixtrans-60-25.9177.2-173.8173.7-178.8166.10113.7C64 P68 L69 N74 K78C64-K72 PolarHBondContact O-NZ 3.32Å; P68-K72 PolarHBondContact O-N 3.05Å; L69-K72 PolarHBondContact O-N 2.94Å; K72-N74 PolarHBondContact O-N 2.92Å; K72-K78 WeakPolarHBondContact O-CG 3.29Å
73E92.8Very high92.8Very high130 Ų13059 Ų5961%0.60729%0.287SS*.THydrogen-bonded Turntrans-72.6-17.1177.7-80.3-179.916500114L69 I71 K78L69-E73 WeakPolarHBondContact O-CG 3.39Å; L69-E73 PolarHBondContact O-N 3.02Å; I71-E73 PolarHBondContact O-N 3.5Å; E73-K78 WeakPolarHBondContact O-CE 3.48Å; E73-K78 PolarHBondContact O-NZ 3.11Å
74N93.6Very high93Very high55 Ų5559 Ų5929%0.29429%0.287SS..SBendtrans-60.2137.4178.6-170.9-77.4000112V41 I71 K72 S76 I77 K78V41-N74 HydrophobicContact CG1-CB 4.06Å; I71-N74 WeakPolarHBondContact O-CB 3.23Å; I71-N74 PolarHBondContact O-N 3.46Å; K72-N74 PolarHBondContact O-N 2.92Å; N74-S76 VanDerWaalsContact C-N 3.33Å; N74-S76 PolarHBondContact O-N 3.45Å; N74-S76 WeakPolarHBondContact OD1-CB 3Å; N74-S76 PolarHBondContact OD1-N 3.25Å; N74-S76 PolarHBondContact OD1-OG 3.49Å; N74-I77 PolarHBondContact O-N 3.05Å; N74-K78 WeakPolarHBondContact O-CG 3.36Å; N74-K78 PolarHBondContact O-N 3.42Å
75A93.4Very high93.2Very high75 Ų7564 Ų6462%0.6230%0.304SS*.Hα-helixtrans-60.4-40.2-176.900000112.7K78 C79A75-K78 PolarHBondContact O-N 3.4Å; A75-C79 VanDerWaalsContact O-CB 3.28Å; A75-C79 WeakPolarHBondContact O-CB 3.37Å; A75-C79 PolarHBondContact O-N 2.86Å
76S93.6Very high93.4Very high19 Ų1959 Ų5913%0.13328%0.283CS..Hα-helixtrans-66.8-42-178.1-500000111.8N74 C79 L80 P109N74-S76 VanDerWaalsContact C-N 3.33Å; N74-S76 PolarHBondContact O-N 3.45Å; N74-S76 WeakPolarHBondContact OD1-CB 3Å; N74-S76 PolarHBondContact OD1-N 3.25Å; N74-S76 PolarHBondContact OD1-OG 3.49Å; S76-C79 PolarHBondContact O-N 3.01Å; S76-L80 WeakPolarHBondContact O-CB 3.39Å; S76-L80 PolarHBondContact O-N 3.18Å; S76-P109 WeakPolarHBondContact OG-CG 3.32Å
77I94.9Very high93.6Very high3 Ų353.4 Ų53.42%0.01526%0.262CS..Hα-helixtrans-67.7-42.1177.2-67.2-179.5000110.6V41 L45 M67 I71 N74 C79 L80 W81V41-I77 HydrophobicContact CG1-CD1 3.99Å; V41-I77 HydrophobicContact CG1-CG1 4.39Å; L45-I77 HydrophobicContact CB-CG1 4.26Å; L45-I77 HydrophobicContact CD1-CG1 3.97Å; M67-I77 HydrophobicContact SD-CG2 3.96Å; I71-I77 HydrophobicContact CG2-CD1 3.3Å; I71-I77 WeakPolarHBondContact O-CD1 3Å; N74-I77 PolarHBondContact O-N 3.05Å; I77-C79 VanDerWaalsContact C-N 3.33Å; I77-C79 PolarHBondContact O-N 3.24Å; I77-L80 PolarHBondContact O-N 3.41Å; I77-W81 VanDerWaalsContact O-CB 3.31Å; I77-W81 WeakPolarHBondContact O-CB 3.16Å; I77-W81 PolarHBondContact O-N 3.05Å
78K95.4Very high93.8Very high116 Ų11656 Ų5650%0.50428%0.279SS..Hα-helixtrans-60.1-43.9173.9-75.9173.9173.9158.30111.8K72 E73 N74 A75 W81 E82K72-K78 WeakPolarHBondContact O-CG 3.29Å; E73-K78 WeakPolarHBondContact O-CE 3.48Å; E73-K78 PolarHBondContact O-NZ 3.11Å; N74-K78 WeakPolarHBondContact O-CG 3.36Å; N74-K78 PolarHBondContact O-N 3.42Å; A75-K78 PolarHBondContact O-N 3.4Å; K78-W81 PolarHBondContact O-N 3.13Å; K78-E82 WeakPolarHBondContact O-CB 3.37Å; K78-E82 PolarHBondContact O-N 3.46Å
79C95.5Very high94.1Very high12 Ų1262.6 Ų62.68%0.08130%0.298CS..Hα-helixtrans-62.3-47.3178.4-170.30000111.4A75 S76 I77 E82 L83 V102 L112A75-C79 VanDerWaalsContact O-CB 3.28Å; A75-C79 WeakPolarHBondContact O-CB 3.37Å; A75-C79 PolarHBondContact O-N 2.86Å; S76-C79 PolarHBondContact O-N 3.01Å; I77-C79 VanDerWaalsContact C-N 3.33Å; I77-C79 PolarHBondContact O-N 3.24Å; C79-E82 WeakPolarHBondContact O-CB 3.3Å; C79-E82 PolarHBondContact O-N 2.66Å; C79-L83 PolarHBondContact O-N 3.14Å; C79-V102 WeakPolarHBondContact SG-CG2 3.33Å; C79-L112 HydrophobicContact CB-CD2 4.09Å
80L95.9Very high94.3Very high0 Ų062 Ų620%030%0.295CS..Hα-helixtrans-65.9-42.6178.2-171.560.4000112.1L45 L48 L52 S76 I77 E82 L83 G84 L112 M115 V116 I119L45-L80 HydrophobicContact CD1-CB 4.02Å; L45-L80 HydrophobicContact CD1-CD2 3.6Å; L45-L80 HydrophobicContact CD1-CG 4.47Å; L45-L80 HydrophobicContact CG-CD2 4.29Å; L45-L80 WeakPolarHBondContact O-CD2 3.46Å; L48-L80 HydrophobicContact CB-CD2 4.26Å; L48-L80 HydrophobicContact CD2-CB 4.37Å; L48-L80 HydrophobicContact CD2-CD2 4.18Å; L48-L80 HydrophobicContact CD2-CG 4.2Å; L48-L80 HydrophobicContact CG-CD2 4.2Å; L48-L80 HydrophobicContact CG-CG 4.46Å; L52-L80 HydrophobicContact CD1-CD1 4Å; L52-L80 HydrophobicContact CD1-CG 3.96Å; S76-L80 WeakPolarHBondContact O-CB 3.39Å; S76-L80 PolarHBondContact O-N 3.18Å; I77-L80 PolarHBondContact O-N 3.41Å; L80-E82 VanDerWaalsContact C-N 3.3Å; L80-E82 PolarHBondContact O-N 2.81Å; L80-L83 WeakPolarHBondContact O-CB 3.31Å; L80-L83 PolarHBondContact O-N 3.08Å; L80-G84 PolarHBondContact O-N 2.98Å; L80-L112 HydrophobicContact CB-CD1 3.81Å; L80-L112 HydrophobicContact CD1-CD1 4.18Å; L80-L112 HydrophobicContact CG-CD1 4.44Å; L80-M115 HydrophobicContact CD2-SD 4.4Å; L80-V116 HydrophobicContact CD1-CG2 4.07Å; L80-I119 HydrophobicContact CD1-CD1 3.75Å
81W96.1Very high94.5Very high47 Ų4755.8 Ų55.818%0.17827%0.271CS..Hα-helixtrans-67.6-31.6177.2-179.1-124.2000112.4L48 A60 R61 C64 I77 K78 L83 G84 R85 V88L48-W81 HydrophobicContact CD1-CE3 4.06Å; L48-W81 HydrophobicContact CD1-CZ3 4.42Å; L48-W81 HydrophobicContact CD2-CB 4.01Å; L48-W81 HydrophobicContact CD2-CE3 4.43Å; A60-W81 HydrophobicContact CB-CZ3 4.03Å; R61-W81 HydrophobicContact CB-CH2 3.87Å; R61-W81 HydrophobicContact CB-CZ2 4.5Å; R61-W81 HydrophobicContact CG-CH2 4.09Å; R61-W81 HydrophobicContact CG-CZ2 4.24Å; C64-W81 HydrophobicContact CB-CD2 4.08Å; C64-W81 HydrophobicContact CB-CE3 4.38Å; C64-W81 HydrophobicContact CB-CZ2 4.24Å; I77-W81 VanDerWaalsContact O-CB 3.31Å; I77-W81 WeakPolarHBondContact O-CB 3.16Å; I77-W81 PolarHBondContact O-N 3.05Å; K78-W81 PolarHBondContact O-N 3.13Å; W81-L83 VanDerWaalsContact C-N 3.32Å; W81-L83 PolarHBondContact O-N 2.96Å; W81-G84 CarbonylContact O-C 3.48Å; W81-G84 WeakPolarHBondContact O-CA 3.35Å; W81-G84 PolarHBondContact O-N 2.66Å; W81-G84 VanDerWaalsContact O-N 3.1Å; W81-R85 HydrophobicContact CD2-CG 4.37Å; W81-R85 HydrophobicContact CZ2-CG 4.21Å; W81-R85 WeakPolarHBondContact O-CG 3.37Å; W81-R85 PolarHBondContact O-N 2.89Å; W81-V88 HydrophobicContact CH2-CG2 4.32Å
82E96.3Very high94.7Very high49 Ų4956.1 Ų56.123%0.22927%0.273CS..Hα-helixtrans-59.1-43.6172.9178.6166.1-119.600112K78 C79 L80 G84 R85 F86 R98K78-E82 WeakPolarHBondContact O-CB 3.37Å; K78-E82 PolarHBondContact O-N 3.46Å; C79-E82 WeakPolarHBondContact O-CB 3.3Å; C79-E82 PolarHBondContact O-N 2.66Å; L80-E82 VanDerWaalsContact C-N 3.3Å; L80-E82 PolarHBondContact O-N 2.81Å; E82-G84 VanDerWaalsContact C-N 3.34Å; E82-R85 WeakPolarHBondContact O-CB 3.06Å; E82-R85 PolarHBondContact O-N 3.44Å; E82-R85 IonicContact OE1-NH2 3.65Å; E82-R85 PolarHBondContact OE1-NH2 3.38Å; E82-F86 HydrophobicContact CG-CE2 3.95Å; E82-F86 WeakPolarHBondContact O-CD2 3.45Å; E82-F86 PolarHBondContact O-N 3.19Å; E82-R98 IonicContact OE2-CZ 3.79Å; E82-R98 VanDerWaalsContact OE2-CZ 3.26Å; E82-R98 IonicContact OE2-NE 2.81Å; E82-R98 PolarHBondContact OE2-NE 2.92Å; E82-R98 IonicContact OE2-NH2 2.81Å; E82-R98 PolarHBondContact OE2-NH2 3.1Å
83L96.1Very high94.9Very high2 Ų257.4 Ų57.41%0.0128%0.278CS..Hα-helixtrans-60.4-44.7170.2-66.4169.1000111.4C79 L80 W81 R85 F86 L87 F95 R98 V116C79-L83 PolarHBondContact O-N 3.14Å; L80-L83 WeakPolarHBondContact O-CB 3.31Å; L80-L83 PolarHBondContact O-N 3.08Å; W81-L83 VanDerWaalsContact C-N 3.32Å; W81-L83 PolarHBondContact O-N 2.96Å; L83-R85 VanDerWaalsContact C-N 3.27Å; L83-R85 PolarHBondContact O-N 3.28Å; L83-F86 PolarHBondContact O-N 3.28Å; L83-F86 VanDerWaalsContact O-N 3.11Å; L83-L87 PolarHBondContact O-N 2.95Å; L83-L87 VanDerWaalsContact O-N 3.14Å; L83-F95 HydrophobicContact CB-CD2 4.18Å; L83-F95 HydrophobicContact CB-CE2 4.12Å; L83-F95 HydrophobicContact CD2-CD2 4.06Å; L83-F95 HydrophobicContact CD2-CE2 4.24Å; L83-R98 HydrophobicContact CD2-CB 3.69Å; L83-R98 HydrophobicContact CD2-CG 3.63Å; L83-R98 HydrophobicContact CG-CG 4.37Å; L83-V116 HydrophobicContact CD1-CB 4.29Å; L83-V116 HydrophobicContact CD1-CG1 3.83Å; L83-V116 HydrophobicContact CD1-CG2 3.5Å
84G95.5Very high95.1Very high0 Ų053.1 Ų53.10%026%0.263CS..Hα-helixtrans-57.2-36.3174.500000113.7L80 W81 E82 L87 V88L80-G84 PolarHBondContact O-N 2.98Å; W81-G84 CarbonylContact O-C 3.48Å; W81-G84 WeakPolarHBondContact O-CA 3.35Å; W81-G84 PolarHBondContact O-N 2.66Å; W81-G84 VanDerWaalsContact O-N 3.1Å; E82-G84 VanDerWaalsContact C-N 3.34Å; G84-L87 PolarHBondContact O-N 3.23Å; G84-V88 VanDerWaalsContact O-CG2 3.23Å; G84-V88 WeakPolarHBondContact O-CG2 3.38Å; G84-V88 PolarHBondContact O-N 2.91Å
85R95.8Very high95.3Very high107 Ų10750.6 Ų50.640%0.40425%0.249SC..Hα-helixtrans-65.2-37.9175.9-70.2-170.7-59.9-179.8-0.3112.3W81 E82 L83 V88 R89W81-R85 HydrophobicContact CD2-CG 4.37Å; W81-R85 HydrophobicContact CZ2-CG 4.21Å; W81-R85 WeakPolarHBondContact O-CG 3.37Å; W81-R85 PolarHBondContact O-N 2.89Å; E82-R85 WeakPolarHBondContact O-CB 3.06Å; E82-R85 PolarHBondContact O-N 3.44Å; E82-R85 IonicContact OE1-NH2 3.65Å; E82-R85 PolarHBondContact OE1-NH2 3.38Å; L83-R85 VanDerWaalsContact C-N 3.27Å; L83-R85 PolarHBondContact O-N 3.28Å; R85-V88 PolarHBondContact O-N 2.88Å; R85-R89 WeakPolarHBondContact O-CG 3.23Å; R85-R89 PolarHBondContact O-N 3.48Å; R85-R89 VanDerWaalsContact O-N 3.16Å
86F96.7Very high95.4Very high38 Ų3847 Ų4717%0.16722%0.219CC..Hα-helixtrans-65.4-43.1175-66.3-54.3000110.9E82 L83 V88 R89 N90 D91 S94 F95 R98E82-F86 HydrophobicContact CG-CE2 3.95Å; E82-F86 WeakPolarHBondContact O-CD2 3.45Å; E82-F86 PolarHBondContact O-N 3.19Å; L83-F86 PolarHBondContact O-N 3.28Å; L83-F86 VanDerWaalsContact O-N 3.11Å; F86-V88 PolarHBondContact O-N 3.39Å; F86-R89 CarbonylContact O-C 3.53Å; F86-R89 PolarHBondContact O-N 3.4Å; F86-R89 VanDerWaalsContact O-N 3.14Å; F86-N90 PolarHBondContact O-N 3.24Å; F86-N90 VanDerWaalsContact O-N 3.1Å; F86-D91 HydrophobicContact CD1-CB 4.39Å; F86-D91 PolarHBondContact O-N 2.8Å; F86-S94 VanDerWaalsContact CD1-CB 3.46Å; F86-S94 VanDerWaalsContact CE1-CB 3.5Å; F86-F95 HydrophobicContact CB-CB 3.85Å; F86-R98 HydrophobicContact CD2-CB 4.25Å; F86-R98 HydrophobicContact CE2-CB 3.87Å; F86-R98 HydrophobicContact CE2-CG 4.01Å
87L95.2Very high95.6Very high7 Ų747.7 Ų47.74%0.03723%0.227CC..Hα-helixtrans-60.7-44.5174.7-63.9175.9000112.3L52 L57 L83 G84 R89 N90 M92 F95 I119 Q123L52-L87 HydrophobicContact CD2-CD1 4.27Å; L57-L87 HydrophobicContact CD1-CB 4.18Å; L57-L87 WeakPolarHBondContact CD1-O 3.44Å; L57-L87 HydrophobicContact CD2-CB 3.72Å; L57-L87 HydrophobicContact CD2-CD1 4.36Å; L83-L87 PolarHBondContact O-N 2.95Å; L83-L87 VanDerWaalsContact O-N 3.14Å; G84-L87 PolarHBondContact O-N 3.23Å; L87-R89 PolarHBondContact O-N 3.04Å; L87-N90 PolarHBondContact O-N 2.83Å; L87-M92 HydrophobicContact CD2-CE 4.13Å; L87-M92 HydrophobicContact CD2-SD 3.86Å; L87-F95 HydrophobicContact CD1-CD2 4.16Å; L87-F95 HydrophobicContact CD1-CE2 3.85Å; L87-F95 HydrophobicContact CD2-CB 4.43Å; L87-F95 HydrophobicContact CD2-CD1 4.2Å; L87-F95 HydrophobicContact CD2-CD2 3.61Å; L87-F95 HydrophobicContact CD2-CE1 4.44Å; L87-F95 HydrophobicContact CD2-CE2 3.87Å; L87-F95 HydrophobicContact CD2-CG 3.8Å; L87-F95 HydrophobicContact CD2-CZ 4.29Å; L87-F95 HydrophobicContact CG-CD2 3.66Å; L87-F95 HydrophobicContact CG-CE2 3.88Å; L87-F95 HydrophobicContact CG-CG 4.32Å; L87-I119 HydrophobicContact CD1-CG2 4.09Å; L87-Q123 HydrophobicContact CD2-CG 3.9Å
88V94.1Very high95.6Very high62 Ų6251.2 Ų51.238%0.37624%0.24SC..Hα-helixtrans-59.3-32.9176.1170.40000112.3L57 W81 G84 R85 F86 N90L57-V88 HydrophobicContact CB-CG2 3.91Å; W81-V88 HydrophobicContact CH2-CG2 4.32Å; G84-V88 VanDerWaalsContact O-CG2 3.23Å; G84-V88 WeakPolarHBondContact O-CG2 3.38Å; G84-V88 PolarHBondContact O-N 2.91Å; R85-V88 PolarHBondContact O-N 2.88Å; F86-V88 PolarHBondContact O-N 3.39Å; V88-N90 VanDerWaalsContact C-N 3.31Å
89R94.7Very high95.7Very high181 Ų18145.7 Ų45.768%0.68322%0.216SC*.THydrogen-bonded Turntrans-87.6-0.6177.7-69.3174.2177.2173.8-2.8113.3R85 F86 L87 D91R85-R89 WeakPolarHBondContact O-CG 3.23Å; R85-R89 PolarHBondContact O-N 3.48Å; R85-R89 VanDerWaalsContact O-N 3.16Å; F86-R89 CarbonylContact O-C 3.53Å; F86-R89 PolarHBondContact O-N 3.4Å; F86-R89 VanDerWaalsContact O-N 3.14Å; L87-R89 PolarHBondContact O-N 3.04Å; R89-D91 HydrophobicContact CB-CB 4.41Å; R89-D91 PolarHBondContact O-N 3.32Å
90N93Very high95.7Very high120 Ų12046.5 Ų46.564%0.64222%0.221SC*.THydrogen-bonded Turntrans55.429.1-171.1-159.738.3000113.4F86 L87 V88 M92F86-N90 PolarHBondContact O-N 3.24Å; F86-N90 VanDerWaalsContact O-N 3.1Å; L87-N90 PolarHBondContact O-N 2.83Å; V88-N90 VanDerWaalsContact C-N 3.31Å; N90-M92 PolarHBondContact O-N 3.45Å; N90-M92 WeakPolarHBondContact OD1-CE 3.41Å
91D95.5Very high95.6Very high59 Ų5951.9 Ų51.932%0.31625%0.246SC..  trans-91.376.7178.4-174.6-3.8000109.9F86 R89 K93 S94 F95F86-D91 HydrophobicContact CD1-CB 4.39Å; F86-D91 PolarHBondContact O-N 2.8Å; R89-D91 HydrophobicContact CB-CB 4.41Å; R89-D91 PolarHBondContact O-N 3.32Å; D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 2.77Å; D91-S94 VanDerWaalsContact CG-CB 3.41Å; D91-S94 PolarHBondContact O-N 3.32Å; D91-S94 WeakPolarHBondContact OD1-CB 3.16Å; D91-S94 PolarHBondContact OD1-N 2.85Å; D91-S94 PolarHBondContact OD1-OG 3.15Å; D91-S94 VanDerWaalsContact OD1-OG 3.14Å; D91-S94 WeakPolarHBondContact OD2-CB 3.48Å; D91-S94 PolarHBondContact OD2-OG 3.06Å; D91-F95 WeakPolarHBondContact O-CB 3.42Å; D91-F95 PolarHBondContact O-N 2.81Å
92M94.2Very high95.6Very high19 Ų1949.8 Ų49.89%0.09424%0.239CC..Hα-helixtrans-66.4-33.9-176.6-63.8-58.3177.800112.4L87 N90 F95 F96 V127 Y146L87-M92 HydrophobicContact CD2-CE 4.13Å; L87-M92 HydrophobicContact CD2-SD 3.86Å; N90-M92 PolarHBondContact O-N 3.45Å; N90-M92 WeakPolarHBondContact OD1-CE 3.41Å; M92-F95 WeakPolarHBondContact O-CB 3.17Å; M92-F95 PolarHBondContact O-N 2.87Å; M92-F96 HydrophobicContact CB-CD2 4.3Å; M92-F96 HydrophobicContact CB-CE2 4.11Å; M92-F96 WeakPolarHBondContact O-CD2 3.27Å; M92-F96 PolarHBondContact O-N 3.46Å; M92-V127 HydrophobicContact CG-CG2 4.14Å; M92-V127 HydrophobicContact SD-CG2 4.38Å; M92-Y146 HydrophobicContact CB-CE1 3.95Å
93K94.7Very high95.5Very high105 Ų10550.1 Ų50.146%0.45724%0.242SC..Hα-helixtrans-61.5-50.7177.7-176.3172.9-178.5167.80110.9D91 F95 F96 A97 D145D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 2.77Å; K93-F95 VanDerWaalsContact C-N 3.31Å; K93-F95 PolarHBondContact O-N 3.32Å; K93-F96 PolarHBondContact O-N 3.22Å; K93-A97 WeakPolarHBondContact O-CB 3.25Å; K93-A97 PolarHBondContact O-N 3.31Å; K93-D145 VanDerWaalsContact CE-O 3.32Å; K93-D145 WeakPolarHBondContact CE-O 3.39Å
94S96.5Very high95.4Very high40 Ų4054 Ų5428%0.2827%0.274SS..Hα-helixtrans-66.1-34.6176.2-60.60000112.2F86 D91 R98F86-S94 VanDerWaalsContact CD1-CB 3.46Å; F86-S94 VanDerWaalsContact CE1-CB 3.5Å; D91-S94 VanDerWaalsContact CG-CB 3.41Å; D91-S94 PolarHBondContact O-N 3.32Å; D91-S94 WeakPolarHBondContact OD1-CB 3.16Å; D91-S94 PolarHBondContact OD1-N 2.85Å; D91-S94 PolarHBondContact OD1-OG 3.15Å; D91-S94 VanDerWaalsContact OD1-OG 3.14Å; D91-S94 WeakPolarHBondContact OD2-CB 3.48Å; D91-S94 PolarHBondContact OD2-OG 3.06Å; S94-R98 VanDerWaalsContact O-CB 3.23Å; S94-R98 WeakPolarHBondContact O-CB 3.2Å; S94-R98 PolarHBondContact O-N 3.47Å
95F97.5Very high95.3Very high1 Ų156.8 Ų56.80%0.00429%0.289CS..Hα-helixtrans-60.9-48.1174.3169.4-94.3000112.3L83 F86 L87 D91 M92 K93 R98 S99 I119 Q123L83-F95 HydrophobicContact CB-CD2 4.18Å; L83-F95 HydrophobicContact CB-CE2 4.12Å; L83-F95 HydrophobicContact CD2-CD2 4.06Å; L83-F95 HydrophobicContact CD2-CE2 4.24Å; F86-F95 HydrophobicContact CB-CB 3.85Å; L87-F95 HydrophobicContact CD1-CD2 4.16Å; L87-F95 HydrophobicContact CD1-CE2 3.85Å; L87-F95 HydrophobicContact CD2-CB 4.43Å; L87-F95 HydrophobicContact CD2-CD1 4.2Å; L87-F95 HydrophobicContact CD2-CD2 3.61Å; L87-F95 HydrophobicContact CD2-CE1 4.44Å; L87-F95 HydrophobicContact CD2-CE2 3.87Å; L87-F95 HydrophobicContact CD2-CG 3.8Å; L87-F95 HydrophobicContact CD2-CZ 4.29Å; L87-F95 HydrophobicContact CG-CD2 3.66Å; L87-F95 HydrophobicContact CG-CE2 3.88Å; L87-F95 HydrophobicContact CG-CG 4.32Å; D91-F95 WeakPolarHBondContact O-CB 3.42Å; D91-F95 PolarHBondContact O-N 2.81Å; M92-F95 WeakPolarHBondContact O-CB 3.17Å; M92-F95 PolarHBondContact O-N 2.87Å; K93-F95 VanDerWaalsContact C-N 3.31Å; K93-F95 PolarHBondContact O-N 3.32Å; F95-R98 PolarHBondContact O-N 3.14Å; F95-S99 VanDerWaalsContact O-CB 3.32Å; F95-S99 WeakPolarHBondContact O-CB 3.43Å; F95-S99 PolarHBondContact O-N 3.11Å; F95-S99 PolarHBondContact O-OG 3.49Å; F95-I119 HydrophobicContact CE2-CG2 4.08Å; F95-I119 HydrophobicContact CZ-CG2 3.88Å; F95-Q123 HydrophobicContact CE1-CB 3.79Å; F95-Q123 HydrophobicContact CE1-CG 3.92Å; F95-Q123 HydrophobicContact CZ-CB 4.3Å; F95-Q123 HydrophobicContact CZ-CG 3.96Å
96F97.2Very high95Very high0 Ų056.8 Ų56.80%031%0.312CS..Hα-helixtrans-68.3-39.9179.9-75.1-59.9000112.3M92 K93 R98 S99 S100 R120 Q123 L124 V127 L147M92-F96 HydrophobicContact CB-CD2 4.3Å; M92-F96 HydrophobicContact CB-CE2 4.11Å; M92-F96 WeakPolarHBondContact O-CD2 3.27Å; M92-F96 PolarHBondContact O-N 3.46Å; K93-F96 PolarHBondContact O-N 3.22Å; F96-R98 PolarHBondContact O-N 3.33Å; F96-S99 WeakPolarHBondContact CA-OG 3.43Å; F96-S99 PolarHBondContact O-OG 3.14Å; F96-S99 VanDerWaalsContact O-OG 3.05Å; F96-S100 WeakPolarHBondContact O-CB 3.38Å; F96-S100 PolarHBondContact O-N 3.16Å; F96-S100 PolarHBondContact O-OG 3.4Å; F96-R120 HydrophobicContact CD1-CG 4.22Å; F96-R120 HydrophobicContact CE1-CG 4.24Å; F96-Q123 HydrophobicContact CZ-CB 4.28Å; F96-L124 HydrophobicContact CE1-CB 4.08Å; F96-L124 HydrophobicContact CE1-CD1 4.2Å; F96-L124 HydrophobicContact CZ-CB 4.36Å; F96-L124 HydrophobicContact CZ-CD1 4.3Å; F96-V127 HydrophobicContact CE2-CB 4.43Å; F96-V127 HydrophobicContact CE2-CG1 4.34Å; F96-V127 HydrophobicContact CE2-CG2 4.14Å; F96-V127 HydrophobicContact CZ-CB 4.43Å; F96-V127 HydrophobicContact CZ-CG2 4.26Å; F96-L147 WeakPolarHBondContact CB-O 3.23Å; F96-L147 HydrophobicContact CD2-CD2 3.87Å; F96-L147 HydrophobicContact CE2-CD2 3.52Å; F96-L147 HydrophobicContact CZ-CD2 3.91Å
97A96.3Very high94.7Very high34 Ų3463.9 Ų63.928%0.28134%0.343SS..Hα-helixtrans-60.6-47.7174.300000111K93 S100 Q101 S148K93-A97 WeakPolarHBondContact O-CB 3.25Å; K93-A97 PolarHBondContact O-N 3.31Å; A97-S100 PolarHBondContact O-N 3.3Å; A97-Q101 WeakPolarHBondContact O-CG 3.41Å; A97-Q101 PolarHBondContact O-N 3.47Å; A97-Q101 VanDerWaalsContact O-N 3.14Å; A97-S148 VanDerWaalsContact CA-OG 3.29Å; A97-S148 WeakPolarHBondContact CA-OG 3.45Å; A97-S148 PolarHBondContact N-OG 3.26Å
98R95.9Very high94.5Very high77 Ų7765.7 Ų65.729%0.29135%0.351SS..Hα-helixtrans-69.1-41.7-179-17261.6170.3150.72.6112.3E82 L83 F86 S94 F95 F96 S100 Q101 V102E82-R98 IonicContact OE2-CZ 3.79Å; E82-R98 VanDerWaalsContact OE2-CZ 3.26Å; E82-R98 IonicContact OE2-NE 2.81Å; E82-R98 PolarHBondContact OE2-NE 2.92Å; E82-R98 IonicContact OE2-NH2 2.81Å; E82-R98 PolarHBondContact OE2-NH2 3.1Å; L83-R98 HydrophobicContact CD2-CB 3.69Å; L83-R98 HydrophobicContact CD2-CG 3.63Å; L83-R98 HydrophobicContact CG-CG 4.37Å; F86-R98 HydrophobicContact CD2-CB 4.25Å; F86-R98 HydrophobicContact CE2-CB 3.87Å; F86-R98 HydrophobicContact CE2-CG 4.01Å; S94-R98 VanDerWaalsContact O-CB 3.23Å; S94-R98 WeakPolarHBondContact O-CB 3.2Å; S94-R98 PolarHBondContact O-N 3.47Å; F95-R98 PolarHBondContact O-N 3.14Å; F96-R98 PolarHBondContact O-N 3.33Å; R98-S100 VanDerWaalsContact C-N 3.3Å; R98-S100 PolarHBondContact O-N 3.26Å; R98-Q101 WeakPolarHBondContact O-CB 3.32Å; R98-Q101 PolarHBondContact O-N 3.46Å; R98-V102 WeakPolarHBondContact O-CG2 3.32Å; R98-V102 PolarHBondContact O-N 3.04Å
99S96.5Very high94.4Very high0 Ų065.1 Ų65.10%035%0.348CS..Hα-helixtrans-63.8-38.8178.257.10000111.3F95 F96 Q101 V102 L103F95-S99 VanDerWaalsContact O-CB 3.32Å; F95-S99 WeakPolarHBondContact O-CB 3.43Å; F95-S99 PolarHBondContact O-N 3.11Å; F95-S99 PolarHBondContact O-OG 3.49Å; F96-S99 WeakPolarHBondContact CA-OG 3.43Å; F96-S99 PolarHBondContact O-OG 3.14Å; F96-S99 VanDerWaalsContact O-OG 3.05Å; S99-Q101 PolarHBondContact O-N 2.94Å; S99-V102 PolarHBondContact O-N 3.26Å; S99-L103 VanDerWaalsContact O-CG 3.27Å; S99-L103 WeakPolarHBondContact O-CG 3.16Å; S99-L103 PolarHBondContact O-N 3.41Å
100S95.1Very high94.2Very high29 Ų2962.9 Ų62.920%0.20335%0.35CS..Hα-helixtrans-64.1-39.8175.5-55.20000112.1F96 A97 R98 V102 L103 A104F96-S100 WeakPolarHBondContact O-CB 3.38Å; F96-S100 PolarHBondContact O-N 3.16Å; F96-S100 PolarHBondContact O-OG 3.4Å; A97-S100 PolarHBondContact O-N 3.3Å; R98-S100 VanDerWaalsContact C-N 3.3Å; R98-S100 PolarHBondContact O-N 3.26Å; S100-V102 PolarHBondContact O-N 2.97Å; S100-L103 PolarHBondContact O-N 2.89Å; S100-A104 WeakPolarHBondContact O-CB 3.25Å; S100-A104 PolarHBondContact O-N 3.47Å
101Q95.1Very high94Very high112 Ų11258.3 Ų58.352%0.52333%0.326SS..Hα-helixtrans-61.5-42.9172.9-70.4171.9200112.5A97 R98 S99 A104 D105A97-Q101 WeakPolarHBondContact O-CG 3.41Å; A97-Q101 PolarHBondContact O-N 3.47Å; A97-Q101 VanDerWaalsContact O-N 3.14Å; R98-Q101 WeakPolarHBondContact O-CB 3.32Å; R98-Q101 PolarHBondContact O-N 3.46Å; S99-Q101 PolarHBondContact O-N 2.94Å; Q101-A104 PolarHBondContact O-N 3.41Å; Q101-D105 PolarHBondContact O-N 3.45Å
102V95Very high93.9Very high4 Ų455.5 Ų55.52%0.02431%0.311CS..Hα-helixtrans-66.6-39.5179.6175.60000111.1C79 R98 S99 S100 A104 D105 Q108 L112 V116C79-V102 WeakPolarHBondContact SG-CG2 3.33Å; R98-V102 WeakPolarHBondContact O-CG2 3.32Å; R98-V102 PolarHBondContact O-N 3.04Å; S99-V102 PolarHBondContact O-N 3.26Å; S100-V102 PolarHBondContact O-N 2.97Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-D105 PolarHBondContact O-N 3.17Å; V102-Q108 HydrophobicContact CG1-CG 4.24Å; V102-L112 HydrophobicContact CG1-CD2 4.21Å; V102-L112 HydrophobicContact CG1-CG 4.37Å; V102-V116 HydrophobicContact CB-CG1 4.41Å; V102-V116 HydrophobicContact CG1-CB 4.45Å; V102-V116 HydrophobicContact CG1-CG1 4.31Å; V102-V116 HydrophobicContact CG1-CG2 4.05Å
103L94.4Very high94Very high55 Ų5556.6 Ų56.629%0.28832%0.318SS..Hα-helixtrans-71.6-26.7177.9-67.2175.3000113.2S99 S100 V113 V116 K117S99-L103 VanDerWaalsContact O-CG 3.27Å; S99-L103 WeakPolarHBondContact O-CG 3.16Å; S99-L103 PolarHBondContact O-N 3.41Å; S100-L103 PolarHBondContact O-N 2.89Å; L103-V113 HydrophobicContact CD2-CG1 3.86Å; L103-V116 HydrophobicContact CD2-CB 4.31Å; L103-V116 HydrophobicContact CD2-CG1 4.08Å; L103-V116 HydrophobicContact CG-CG1 4.05Å; L103-K117 HydrophobicContact CD2-CB 4.08Å
104A93.5Very high93.9Very high84 Ų8458.4 Ų58.469%0.69432%0.322SS*.Hα-helixtrans-81.6-19.2176.300000113.4S100 Q101 V102 A106S100-A104 WeakPolarHBondContact O-CB 3.25Å; S100-A104 PolarHBondContact O-N 3.47Å; Q101-A104 PolarHBondContact O-N 3.41Å; V102-A104 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 2.85Å
105D93.4Very high93.7Very high59 Ų5956.8 Ų56.832%0.31631%0.31SS..  trans-82.3102.9-179.5-178.28.7000111.6Q101 V102 K107 Q108Q101-D105 PolarHBondContact O-N 3.45Å; V102-D105 PolarHBondContact O-N 3.17Å; D105-K107 PolarHBondContact O-N 3.39Å; D105-K107 WeakPolarHBondContact OD1-CB 3.43Å; D105-K107 PolarHBondContact OD1-N 3.34Å; D105-Q108 HydrophobicContact CB-CG 3.81Å; D105-Q108 WeakPolarHBondContact O-CB 3.29Å; D105-Q108 WeakPolarHBondContact O-CG 3.39Å; D105-Q108 PolarHBondContact O-N 3.2Å; D105-Q108 VanDerWaalsContact O-N 3.13Å; D105-Q108 PolarHBondContact OD2-NE2 3.48Å
106A89.8Confident93.7Very high106 Ų10656.8 Ų56.888%0.87631%0.31SS*.THydrogen-bonded Turntrans-63.4-9178.500000114.6A104A104-A106 PolarHBondContact O-N 2.85Å
107K92Very high93.6Very high188 Ų18862.5 Ų62.582%0.81734%0.335SS*.THydrogen-bonded Turntrans-86.1-10.6176.6-60.8177.9-179.1176.40113.1D105D105-K107 PolarHBondContact O-N 3.39Å; D105-K107 WeakPolarHBondContact OD1-CB 3.43Å; D105-K107 PolarHBondContact OD1-N 3.34Å
108Q91Very high93.5Very high45 Ų4565.2 Ų65.221%0.2134%0.342CS..SBendtrans-71.9143.7-178.5-62.6-60.1-28.700110.7V102 D105 L112 V113V102-Q108 HydrophobicContact CG1-CG 4.24Å; D105-Q108 HydrophobicContact CB-CG 3.81Å; D105-Q108 WeakPolarHBondContact O-CB 3.29Å; D105-Q108 WeakPolarHBondContact O-CG 3.39Å; D105-Q108 PolarHBondContact O-N 3.2Å; D105-Q108 VanDerWaalsContact O-N 3.13Å; D105-Q108 PolarHBondContact OD2-NE2 3.48Å; Q108-L112 HydrophobicContact CB-CD2 4.39Å; Q108-V113 HydrophobicContact CB-CG2 3.75Å
109P91.2Very high93.5Very high49 Ų4961.7 Ų61.732%0.31833%0.329SS..  trans-68.9142.5179.227.2-31.9000110.9S76 I111 L112 V113S76-P109 WeakPolarHBondContact OG-CG 3.32Å; P109-I111 HydrophobicContact CB-CG2 4.26Å; P109-I111 PolarHBondContact O-N 2.84Å; P109-I111 VanDerWaalsContact O-N 3.1Å; P109-L112 HydrophobicContact CG-CB 3.84Å; P109-L112 WeakPolarHBondContact O-CA 3.49Å; P109-L112 WeakPolarHBondContact O-CB 3.33Å; P109-L112 PolarHBondContact O-N 3.42Å; P109-V113 PolarHBondContact O-N 2.9Å; P109-V113 VanDerWaalsContact O-N 3.08Å
110D90.8Very high93.5Very high134 Ų13463.6 Ų63.672%0.71734%0.336SS*.Hα-helixtrans-53.7-36.8-175.2-65.8-22.5000113.7V113 R114D110-V113 PolarHBondContact O-N 3.08Å; D110-R114 VanDerWaalsContact O-CB 3.31Å; D110-R114 WeakPolarHBondContact O-CB 3.45Å; D110-R114 PolarHBondContact O-N 3.21Å
111I89.5Confident93.4Very high25 Ų2565.6 Ų65.613%0.12834%0.344CS..Hα-helixtrans-60.8-45176.2-175174.4000111.1L35 D42 L45 P109 R114 M115L35-I111 HydrophobicContact CD1-CD1 3.44Å; L35-I111 VanDerWaalsContact CD1-CD1 3.44Å; L35-I111 HydrophobicContact CD1-CG1 4.26Å; L35-I111 HydrophobicContact CD2-CD1 4.1Å; L35-I111 HydrophobicContact CG-CD1 4.45Å; D42-I111 HydrophobicContact CB-CD1 4.26Å; L45-I111 HydrophobicContact CD2-CB 4.48Å; L45-I111 HydrophobicContact CD2-CD1 4.18Å; L45-I111 HydrophobicContact CD2-CG1 4.18Å; L45-I111 HydrophobicContact CD2-CG2 3.63Å; P109-I111 HydrophobicContact CB-CG2 4.26Å; P109-I111 PolarHBondContact O-N 2.84Å; P109-I111 VanDerWaalsContact O-N 3.1Å; I111-R114 PolarHBondContact O-N 3.01Å; I111-M115 HydrophobicContact CG1-SD 4.3Å; I111-M115 WeakPolarHBondContact O-CG 3.46Å; I111-M115 PolarHBondContact O-N 3.38Å
112L93.1Very high93.4Very high0 Ų063.6 Ų63.60%033%0.332CS..Hα-helixtrans-65.5-46.9178.2178.467.7000110.3L45 C79 L80 V102 Q108 P109 R114 M115 V116L45-L112 HydrophobicContact CD1-CD1 4.22Å; C79-L112 HydrophobicContact CB-CD2 4.09Å; L80-L112 HydrophobicContact CB-CD1 3.81Å; L80-L112 HydrophobicContact CD1-CD1 4.18Å; L80-L112 HydrophobicContact CG-CD1 4.44Å; V102-L112 HydrophobicContact CG1-CD2 4.21Å; V102-L112 HydrophobicContact CG1-CG 4.37Å; Q108-L112 HydrophobicContact CB-CD2 4.39Å; P109-L112 HydrophobicContact CG-CB 3.84Å; P109-L112 WeakPolarHBondContact O-CA 3.49Å; P109-L112 WeakPolarHBondContact O-CB 3.33Å; P109-L112 PolarHBondContact O-N 3.42Å; L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 2.94Å; L112-M115 PolarHBondContact O-N 2.87Å; L112-V116 HydrophobicContact CD1-CG2 3.91Å; L112-V116 HydrophobicContact CG-CG2 4.18Å; L112-V116 WeakPolarHBondContact O-CB 3.39Å; L112-V116 VanDerWaalsContact O-CG2 3.27Å; L112-V116 WeakPolarHBondContact O-CG2 3.34Å; L112-V116 PolarHBondContact O-N 2.84Å
113V94.9Very high93.3Very high41 Ų4163.9 Ų63.925%0.24833%0.333CS..Hα-helixtrans-57.3-46.9179.1175.80000110.6L103 Q108 P109 D110 M115 V116 K117L103-V113 HydrophobicContact CD2-CG1 3.86Å; Q108-V113 HydrophobicContact CB-CG2 3.75Å; P109-V113 PolarHBondContact O-N 2.9Å; P109-V113 VanDerWaalsContact O-N 3.08Å; D110-V113 PolarHBondContact O-N 3.08Å; V113-M115 PolarHBondContact O-N 3.47Å; V113-V116 PolarHBondContact O-N 2.97Å; V113-K117 WeakPolarHBondContact O-CB 3.46Å; V113-K117 PolarHBondContact O-N 2.91Å
114R93Very high93.3Very high144 Ų14462.2 Ų62.254%0.54332%0.324SS..Hα-helixtrans-59-47.8177.3-174-173-59.2177.21.4111.7D110 I111 L112 K117 Q118D110-R114 VanDerWaalsContact O-CB 3.31Å; D110-R114 WeakPolarHBondContact O-CB 3.45Å; D110-R114 PolarHBondContact O-N 3.21Å; I111-R114 PolarHBondContact O-N 3.01Å; L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 2.94Å; R114-K117 PolarHBondContact O-N 3.4Å; R114-Q118 WeakPolarHBondContact O-CG 3.42Å; R114-Q118 PolarHBondContact O-N 3.03Å
115M93.2Very high93.3Very high6 Ų660.6 Ų60.63%0.0331%0.308CS..Hα-helixtrans-66.7-44.7-178.7-68.4-17391.300112.2L45 Q46 M53 L80 I111 L112 V113 K117 Q118 I119L45-M115 HydrophobicContact CG-SD 4.2Å; L45-M115 WeakPolarHBondContact O-CE 3.5Å; Q46-M115 HydrophobicContact CB-CE 4.34Å; Q46-M115 HydrophobicContact CG-CE 4.35Å; Q46-M115 WeakPolarHBondContact O-CE 3.4Å; M53-M115 HydrophobicContact CE-CB 4Å; M53-M115 HydrophobicContact CE-CE 3.87Å; M53-M115 HydrophobicContact CE-CG 4.02Å; L80-M115 HydrophobicContact CD2-SD 4.4Å; I111-M115 HydrophobicContact CG1-SD 4.3Å; I111-M115 WeakPolarHBondContact O-CG 3.46Å; I111-M115 PolarHBondContact O-N 3.38Å; L112-M115 PolarHBondContact O-N 2.87Å; V113-M115 PolarHBondContact O-N 3.47Å; M115-K117 VanDerWaalsContact C-N 3.28Å; M115-K117 PolarHBondContact O-N 3.34Å; M115-Q118 PolarHBondContact O-N 3.44Å; M115-I119 WeakPolarHBondContact O-CD1 3.28Å; M115-I119 WeakPolarHBondContact O-CG1 3.37Å; M115-I119 PolarHBondContact O-N 2.99Å
116V96.4Very high93.2Very high1 Ų161 Ų611%0.00632%0.315CS..Hα-helixtrans-61.3-40.7177.6171.50000110.6L80 L83 V102 L103 L112 V113 I119 R120L80-V116 HydrophobicContact CD1-CG2 4.07Å; L83-V116 HydrophobicContact CD1-CB 4.29Å; L83-V116 HydrophobicContact CD1-CG1 3.83Å; L83-V116 HydrophobicContact CD1-CG2 3.5Å; V102-V116 HydrophobicContact CB-CG1 4.41Å; V102-V116 HydrophobicContact CG1-CB 4.45Å; V102-V116 HydrophobicContact CG1-CG1 4.31Å; V102-V116 HydrophobicContact CG1-CG2 4.05Å; L103-V116 HydrophobicContact CD2-CB 4.31Å; L103-V116 HydrophobicContact CD2-CG1 4.08Å; L103-V116 HydrophobicContact CG-CG1 4.05Å; L112-V116 HydrophobicContact CD1-CG2 3.91Å; L112-V116 HydrophobicContact CG-CG2 4.18Å; L112-V116 WeakPolarHBondContact O-CB 3.39Å; L112-V116 VanDerWaalsContact O-CG2 3.27Å; L112-V116 WeakPolarHBondContact O-CG2 3.34Å; L112-V116 PolarHBondContact O-N 2.84Å; V113-V116 PolarHBondContact O-N 2.97Å; V116-I119 PolarHBondContact O-N 3.39Å; V116-R120 WeakPolarHBondContact O-CB 3.45Å; V116-R120 PolarHBondContact O-N 2.92Å
117K95.6Very high93.3Very high119 Ų11956.4 Ų56.452%0.51728%0.277SS..Hα-helixtrans-59.5-51.8174.5-172.4178.5-176.7-177.10111.3L103 V113 R114 M115 I119 R120 D121L103-K117 HydrophobicContact CD2-CB 4.08Å; V113-K117 WeakPolarHBondContact O-CB 3.46Å; V113-K117 PolarHBondContact O-N 2.91Å; R114-K117 PolarHBondContact O-N 3.4Å; M115-K117 VanDerWaalsContact C-N 3.28Å; M115-K117 PolarHBondContact O-N 3.34Å; K117-I119 PolarHBondContact O-N 3.33Å; K117-R120 PolarHBondContact O-N 3.36Å; K117-D121 WeakPolarHBondContact O-CB 3.48Å; K117-D121 PolarHBondContact O-N 2.85Å
118Q94.2Very high93.3Very high92 Ų9247.6 Ų47.643%0.4324%0.239SC..Hα-helixtrans-60.7-41.9179.5-73.1176.6-42.600113M53 R114 M115 R122M53-Q118 HydrophobicContact CE-CB 3.8Å; M53-Q118 HydrophobicContact CG-CB 4.42Å; M53-Q118 HydrophobicContact SD-CB 3.93Å; R114-Q118 WeakPolarHBondContact O-CG 3.42Å; R114-Q118 PolarHBondContact O-N 3.03Å; M115-Q118 PolarHBondContact O-N 3.44Å; Q118-R122 WeakPolarHBondContact O-CG 3.27Å; Q118-R122 PolarHBondContact O-N 3.27Å; Q118-R122 VanDerWaalsContact O-N 3.17Å
119I95.8Very high93.2Very high3 Ų348.2 Ų48.22%0.01524%0.243CC..Hα-helixtrans-65.5-47.1176.4-61.6159000109.5L52 M53 L80 L87 F95 M115 V116 K117 D121 R122 Q123L52-I119 HydrophobicContact CB-CD1 3.7Å; L52-I119 HydrophobicContact CB-CG1 4.08Å; L52-I119 HydrophobicContact CB-CG2 4.29Å; L52-I119 HydrophobicContact CD1-CD1 4.08Å; M53-I119 HydrophobicContact CB-CG1 4.46Å; M53-I119 HydrophobicContact CE-CG1 4.25Å; M53-I119 HydrophobicContact CG-CD1 4.49Å; M53-I119 HydrophobicContact CG-CG1 3.47Å; M53-I119 VanDerWaalsContact CG-CG1 3.47Å; L80-I119 HydrophobicContact CD1-CD1 3.75Å; L87-I119 HydrophobicContact CD1-CG2 4.09Å; F95-I119 HydrophobicContact CE2-CG2 4.08Å; F95-I119 HydrophobicContact CZ-CG2 3.88Å; M115-I119 WeakPolarHBondContact O-CD1 3.28Å; M115-I119 WeakPolarHBondContact O-CG1 3.37Å; M115-I119 PolarHBondContact O-N 2.99Å; V116-I119 PolarHBondContact O-N 3.39Å; K117-I119 PolarHBondContact O-N 3.33Å; I119-D121 PolarHBondContact O-N 3.47Å; I119-R122 PolarHBondContact O-N 2.79Å; I119-Q123 HydrophobicContact CG2-CG 4.31Å; I119-Q123 VanDerWaalsContact O-CG 3.3Å; I119-Q123 WeakPolarHBondContact O-CG 3.3Å; I119-Q123 PolarHBondContact O-N 2.9Å
120R95.8Very high93.2Very high40 Ų4051 Ų5115%0.15126%0.255CS..Hα-helixtrans-58.4-46.6179-178.6-178.9-178.6-103.86.8111.5F96 V116 K117 R122 Q123 L124F96-R120 HydrophobicContact CD1-CG 4.22Å; F96-R120 HydrophobicContact CE1-CG 4.24Å; V116-R120 WeakPolarHBondContact O-CB 3.45Å; V116-R120 PolarHBondContact O-N 2.92Å; K117-R120 PolarHBondContact O-N 3.36Å; R120-R122 PolarHBondContact O-N 3.1Å; R120-Q123 PolarHBondContact O-N 3.06Å; R120-L124 WeakPolarHBondContact O-CB 3.47Å; R120-L124 PolarHBondContact O-N 3.47Å
121D94.3Very high93.2Very high71 Ų7145 Ų4538%0.3822%0.223SC..Hα-helixtrans-64.6-40.5-178.2-64.5-14.4000111.2K117 I119 L124 S125K117-D121 WeakPolarHBondContact O-CB 3.48Å; K117-D121 PolarHBondContact O-N 2.85Å; I119-D121 PolarHBondContact O-N 3.47Å; D121-L124 PolarHBondContact O-N 2.87Å; D121-S125 PolarHBondContact O-N 3.3Å
122R93.8Very high93Very high69 Ų6947.7 Ų47.726%0.2623%0.233SC..Hα-helixtrans-62.5-49.3173.7-76.7-175.4173.3-120.4-10.3112D4 M53 Q118 I119 R120 L124 S125 S126D4-R122 IonicContact OD1-CZ 2.87Å; D4-R122 IonicContact OD1-NH1 3.32Å; D4-R122 PolarHBondContact OD1-NH1 3.1Å; D4-R122 IonicContact OD1-NH2 3.52Å; D4-R122 PolarHBondContact OD1-NH2 3.04Å; M53-R122 VanDerWaalsContact O-CD 3.23Å; M53-R122 WeakPolarHBondContact O-CD 3.42Å; M53-R122 PolarHBondContact O-NH1 3.4Å; Q118-R122 WeakPolarHBondContact O-CG 3.27Å; Q118-R122 PolarHBondContact O-N 3.27Å; Q118-R122 VanDerWaalsContact O-N 3.17Å; I119-R122 PolarHBondContact O-N 2.79Å; R120-R122 PolarHBondContact O-N 3.1Å; R122-L124 VanDerWaalsContact C-N 3.31Å; R122-L124 PolarHBondContact O-N 3.38Å; R122-S125 PolarHBondContact O-N 3.04Å; R122-S126 PolarHBondContact O-N 2.91Å; R122-S126 PolarHBondContact O-OG 3.25Å
123Q94.5Very high92.7Very high10 Ų1056.8 Ų56.85%0.04727%0.268CS..Hα-helixtrans-64.3-38178.3-64-56.3-38.900111.5S55 L87 F95 F96 I119 R120 S126 V127S55-Q123 PolarHBondContact OG-NE2 2.82Å; L87-Q123 HydrophobicContact CD2-CG 3.9Å; F95-Q123 HydrophobicContact CE1-CB 3.79Å; F95-Q123 HydrophobicContact CE1-CG 3.92Å; F95-Q123 HydrophobicContact CZ-CB 4.3Å; F95-Q123 HydrophobicContact CZ-CG 3.96Å; F96-Q123 HydrophobicContact CZ-CB 4.28Å; I119-Q123 HydrophobicContact CG2-CG 4.31Å; I119-Q123 VanDerWaalsContact O-CG 3.3Å; I119-Q123 WeakPolarHBondContact O-CG 3.3Å; I119-Q123 PolarHBondContact O-N 2.9Å; R120-Q123 PolarHBondContact O-N 3.06Å; Q123-S126 PolarHBondContact O-N 3.21Å; Q123-V127 VanDerWaalsContact O-CB 3.29Å; Q123-V127 WeakPolarHBondContact O-CB 3.39Å; Q123-V127 VanDerWaalsContact O-CG2 3.25Å; Q123-V127 WeakPolarHBondContact O-CG2 3.4Å; Q123-V127 PolarHBondContact O-N 3.48Å
124L94.2Very high92.3Very high20 Ų2057.9 Ų57.911%0.10528%0.281CS..Hα-helixtrans-61-45.3175.7-175.462.5000110.9F96 R120 D121 R122 T128 L147 L157F96-L124 HydrophobicContact CE1-CB 4.08Å; F96-L124 HydrophobicContact CE1-CD1 4.2Å; F96-L124 HydrophobicContact CZ-CB 4.36Å; F96-L124 HydrophobicContact CZ-CD1 4.3Å; R120-L124 WeakPolarHBondContact O-CB 3.47Å; R120-L124 PolarHBondContact O-N 3.47Å; D121-L124 PolarHBondContact O-N 2.87Å; R122-L124 VanDerWaalsContact C-N 3.31Å; R122-L124 PolarHBondContact O-N 3.38Å; L124-T128 VanDerWaalsContact O-CB 3.25Å; L124-T128 WeakPolarHBondContact O-CB 3.41Å; L124-T128 PolarHBondContact O-N 3.39Å; L124-T128 PolarHBondContact O-OG1 3.39Å; L124-L147 HydrophobicContact CD1-CD1 3.99Å; L124-L147 HydrophobicContact CD1-CD2 3.75Å; L124-L147 HydrophobicContact CD1-CG 4.32Å; L124-L157 HydrophobicContact CD1-CD2 3.88Å; L124-L157 HydrophobicContact CD2-CD1 4.38Å; L124-L157 HydrophobicContact CD2-CD2 4.07Å; L124-L157 HydrophobicContact CG-CD2 4.04Å
125S92.2Very high92.1Very high50 Ų5055.8 Ų55.835%0.3527%0.274SS..Hα-helixtrans-60.8-50.3174.5-170.20000111.3D121 R122 V127 T128 D129D121-S125 PolarHBondContact O-N 3.3Å; R122-S125 PolarHBondContact O-N 3.04Å; S125-V127 VanDerWaalsContact C-N 3.34Å; S125-V127 PolarHBondContact O-N 3.45Å; S125-T128 PolarHBondContact O-N 2.82Å; S125-D129 WeakPolarHBondContact O-CB 3.31Å; S125-D129 PolarHBondContact O-N 3.25Å
126S91.7Very high91.7Very high68 Ų6859.1 Ų59.148%0.47630%0.298SS..Hα-helixtrans-60.8-41.4-179-60.30000113R122 Q123 L130R122-S126 PolarHBondContact O-N 2.91Å; R122-S126 PolarHBondContact O-OG 3.25Å; Q123-S126 PolarHBondContact O-N 3.21Å; S126-L130 PolarHBondContact O-N 3.24Å
127V92.8Very high91.4Very high10 Ų1065.1 Ų65.16%0.06133%0.325CS..Hα-helixtrans-69.9-41178.1167.20000111.2M92 F96 Q123 S125 D129 L130 F131 Y146 L147M92-V127 HydrophobicContact CG-CG2 4.14Å; M92-V127 HydrophobicContact SD-CG2 4.38Å; F96-V127 HydrophobicContact CE2-CB 4.43Å; F96-V127 HydrophobicContact CE2-CG1 4.34Å; F96-V127 HydrophobicContact CE2-CG2 4.14Å; F96-V127 HydrophobicContact CZ-CB 4.43Å; F96-V127 HydrophobicContact CZ-CG2 4.26Å; Q123-V127 VanDerWaalsContact O-CB 3.29Å; Q123-V127 WeakPolarHBondContact O-CB 3.39Å; Q123-V127 VanDerWaalsContact O-CG2 3.25Å; Q123-V127 WeakPolarHBondContact O-CG2 3.4Å; Q123-V127 PolarHBondContact O-N 3.48Å; S125-V127 VanDerWaalsContact C-N 3.34Å; S125-V127 PolarHBondContact O-N 3.45Å; V127-D129 VanDerWaalsContact C-N 3.32Å; V127-D129 PolarHBondContact O-N 3.36Å; V127-L130 WeakPolarHBondContact O-CB 3.4Å; V127-L130 PolarHBondContact O-N 3.1Å; V127-L130 VanDerWaalsContact O-N 3.15Å; V127-F131 HydrophobicContact CG1-CD2 3.85Å; V127-F131 HydrophobicContact CG1-CE2 3.37Å; V127-F131 HydrophobicContact CG1-CZ 4.07Å; V127-F131 VanDerWaalsContact O-CD2 3.31Å; V127-F131 WeakPolarHBondContact O-CD2 3.39Å; V127-F131 PolarHBondContact O-N 3.39Å; V127-Y146 HydrophobicContact CG1-CD1 4.37Å; V127-Y146 HydrophobicContact CG1-CE1 3.82Å; V127-L147 HydrophobicContact CG1-CD2 3.83Å
128T90.6Very high91.2Very high3 Ų359.7 Ų59.72%0.01830%0.302CS..Hα-helixtrans-64.3-39.7176.1-540000111L124 S125 L130 F131 F132 F158 K161L124-T128 VanDerWaalsContact O-CB 3.25Å; L124-T128 WeakPolarHBondContact O-CB 3.41Å; L124-T128 PolarHBondContact O-N 3.39Å; L124-T128 PolarHBondContact O-OG1 3.39Å; S125-T128 PolarHBondContact O-N 2.82Å; T128-L130 VanDerWaalsContact C-N 3.27Å; T128-L130 PolarHBondContact O-N 3.2Å; T128-F131 PolarHBondContact O-N 3.11Å; T128-F132 PolarHBondContact O-N 3.44Å; T128-F158 HydrophobicContact CG2-CE1 4.21Å; T128-F158 HydrophobicContact CG2-CE2 4.32Å; T128-F158 HydrophobicContact CG2-CZ 4.04Å; T128-K161 HydrophobicContact CG2-CG 4.21Å
129D90.3Very high91.1Very high57 Ų5757.1 Ų57.131%0.30529%0.294SS..Hα-helixtrans-67.5-27.6175.4-62.9-21.9000112S125 V127 F132 R133 K161S125-D129 WeakPolarHBondContact O-CB 3.31Å; S125-D129 PolarHBondContact O-N 3.25Å; V127-D129 VanDerWaalsContact C-N 3.32Å; V127-D129 PolarHBondContact O-N 3.36Å; D129-F132 WeakPolarHBondContact O-CB 3.31Å; D129-R133 WeakPolarHBondContact O-CG 3.23Å; D129-R133 PolarHBondContact O-N 3.41Å; D129-K161 IonicContact OD1-NZ 3.26Å; D129-K161 PolarHBondContact OD1-NZ 3.31Å
130L90.7Very high91Very high107 Ų10757.1 Ų57.156%0.5629%0.294SS*.Hα-helixtrans-71.1-45.6170.8-178.363.7000111.3S126 V127 T128 F132 R133 A134S126-L130 PolarHBondContact O-N 3.24Å; V127-L130 WeakPolarHBondContact O-CB 3.4Å; V127-L130 PolarHBondContact O-N 3.1Å; V127-L130 VanDerWaalsContact O-N 3.15Å; T128-L130 VanDerWaalsContact C-N 3.27Å; T128-L130 PolarHBondContact O-N 3.2Å; L130-F132 PolarHBondContact O-N 3.17Å; L130-R133 PolarHBondContact O-N 2.92Å; L130-R133 VanDerWaalsContact O-N 3.11Å; L130-A134 WeakPolarHBondContact O-CB 3.42Å; L130-A134 PolarHBondContact O-N 3.2Å
131F90.8Very high90.8Very high10 Ų1060.1 Ų60.14%0.04431%0.313CS..Hα-helixtrans-58.5-37.7173.9-71-48.8000111.5V127 T128 R133 A134 Y135 I138 F142 L143 Y146 L147 F158V127-F131 HydrophobicContact CG1-CD2 3.85Å; V127-F131 HydrophobicContact CG1-CE2 3.37Å; V127-F131 HydrophobicContact CG1-CZ 4.07Å; V127-F131 VanDerWaalsContact O-CD2 3.31Å; V127-F131 WeakPolarHBondContact O-CD2 3.39Å; V127-F131 PolarHBondContact O-N 3.39Å; T128-F131 PolarHBondContact O-N 3.11Å; F131-R133 PolarHBondContact O-N 3.3Å; F131-A134 PolarHBondContact O-N 2.99Å; F131-Y135 AromaticContact CD1-CD2 3.72Å; F131-Y135 HydrophobicContact CD1-CD2 3.72Å; F131-Y135 AromaticContact CD1-CE2 3.6Å; F131-Y135 HydrophobicContact CD1-CE2 3.6Å; F131-Y135 HydrophobicContact CE1-CE2 4.01Å; F131-Y135 PolarHBondContact O-N 3.05Å; F131-I138 HydrophobicContact CD1-CD1 3.79Å; F131-I138 HydrophobicContact CE1-CD1 4.13Å; F131-I138 HydrophobicContact CG-CD1 4.19Å; F131-F142 AromaticContact CE1-CE1 3.97Å; F131-F142 HydrophobicContact CE1-CE1 3.97Å; F131-F142 HydrophobicContact CZ-CE1 4.2Å; F131-L143 HydrophobicContact CD2-CD2 3.7Å; F131-L143 HydrophobicContact CE2-CD2 3.57Å; F131-L143 HydrophobicContact CG-CD2 4.23Å; F131-L143 HydrophobicContact CZ-CD2 4.02Å; F131-Y146 AromaticContact CE2-CD1 3.95Å; F131-Y146 HydrophobicContact CE2-CD1 3.95Å; F131-Y146 HydrophobicContact CE2-CE1 4.16Å; F131-Y146 AromaticContact CZ-CD1 3.61Å; F131-Y146 HydrophobicContact CZ-CD1 3.61Å; F131-Y146 AromaticContact CZ-CE1 3.74Å; F131-Y146 HydrophobicContact CZ-CE1 3.74Å; F131-Y146 HydrophobicContact CZ-CG 4.1Å; F131-L147 HydrophobicContact CE2-CD2 4.35Å; F131-F158 HydrophobicContact CB-CE1 4.39Å; F131-F158 HydrophobicContact CB-CZ 4.38Å; F131-F158 HydrophobicContact CD2-CZ 4.25Å
132F85.8Confident90.8Very high80 Ų8061 Ų6135%0.35131%0.313SS..Hα-helixtrans-52.7-42.1175.4-172.1-87.3000113.1T128 D129 L130 W163 H174T128-F132 PolarHBondContact O-N 3.44Å; D129-F132 WeakPolarHBondContact O-CB 3.31Å; L130-F132 PolarHBondContact O-N 3.17Å; F132-W163 HydrophobicContact CD2-CZ2 4.28Å; F132-W163 AromaticContact CD2-NE1 3.15Å; F132-W163 AromaticContact CE2-NE1 3.56Å; F132-H174 AromaticContact CE1-CE1 3.94Å; F132-H174 AromaticContact CE2-CD2 3.52Å; F132-H174 AromaticContact CE2-CE1 3.48Å; F132-H174 VanDerWaalsContact CE2-CE1 3.48Å; F132-H174 WeakPolarHBondContact CE2-CE1 3.29Å; F132-H174 AromaticContact CE2-ND1 3.99Å; F132-H174 AromaticContact CE2-NE2 3.15Å; F132-H174 WeakPolarHBondContact CE2-NE2 3.17Å; F132-H174 AromaticContact CZ-CE1 3.15Å; F132-H174 WeakPolarHBondContact CZ-CE1 3.29Å; F132-H174 AromaticContact CZ-ND1 3.93Å; F132-H174 AromaticContact CZ-NE2 3.19Å; F132-H174 WeakPolarHBondContact CZ-NE2 3.34Å
133R86.3Confident90.7Very high192 Ų19257.7 Ų57.773%0.72530%0.301SS*.Hα-helixtrans-88-27.3-175.1-64.2172.4-173.2179.52.4113.3D129 L130 F131D129-R133 WeakPolarHBondContact O-CG 3.23Å; D129-R133 PolarHBondContact O-N 3.41Å; L130-R133 PolarHBondContact O-N 2.92Å; L130-R133 VanDerWaalsContact O-N 3.11Å; F131-R133 PolarHBondContact O-N 3.3Å
134A87.2Confident90.7Very high64 Ų6458.1 Ų58.153%0.52931%0.305SS..Hα-helixtrans-94.1-25.2-171.300000113.8L130 F131L130-A134 WeakPolarHBondContact O-CB 3.42Å; L130-A134 PolarHBondContact O-N 3.2Å; F131-A134 PolarHBondContact O-N 2.99Å
135Y87.5Confident90.7Very high100 Ų10062 Ų6239%0.39233%0.326SS..  trans-126.3132.9-172.6-63.1-91.1000111.4F131 I138 W163F131-Y135 AromaticContact CD1-CD2 3.72Å; F131-Y135 HydrophobicContact CD1-CD2 3.72Å; F131-Y135 AromaticContact CD1-CE2 3.6Å; F131-Y135 HydrophobicContact CD1-CE2 3.6Å; F131-Y135 HydrophobicContact CE1-CE2 4.01Å; F131-Y135 PolarHBondContact O-N 3.05Å; Y135-I138 HydrophobicContact CD1-CD1 4.43Å; Y135-I138 HydrophobicContact CD2-CD1 4.1Å; Y135-I138 HydrophobicContact CE2-CD1 4.45Å; Y135-I138 HydrophobicContact CG-CD1 4.09Å; Y135-W163 WeakPolarHBondContact O-CH2 3.2Å
136S86Confident90.8Very high76 Ų7662.5 Ų62.553%0.53132%0.32SS..SBendtrans-86.2-31.1165.5-49.60000111.5S173 H174S136-S173 WeakPolarHBondContact O-CA 3.3Å; S136-H174 PolarHBondContact O-N 2.92Å
137H89.3Confident90.9Very high126 Ų12659.2 Ų59.258%0.58330%0.298SS*.EExtended strand (participates in β ladder)trans-137.4135.4178.1-57.1-82000108.7I172 S173H137-I172 WeakPolarHBondContact CA-O 3.42Å; H137-S173 VanDerWaalsContact ND1-CB 3.27Å; H137-S173 WeakPolarHBondContact ND1-CB 3.46Å
138I91.7Very high90.9Very high5 Ų560.7 Ų60.73%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-139.9140.1179.6-167.1160.9000110.5F131 Y135 F142 L143 W163 F171 I172F131-I138 HydrophobicContact CD1-CD1 3.79Å; F131-I138 HydrophobicContact CE1-CD1 4.13Å; F131-I138 HydrophobicContact CG-CD1 4.19Å; Y135-I138 HydrophobicContact CD1-CD1 4.43Å; Y135-I138 HydrophobicContact CD2-CD1 4.1Å; Y135-I138 HydrophobicContact CE2-CD1 4.45Å; Y135-I138 HydrophobicContact CG-CD1 4.09Å; I138-F142 HydrophobicContact CD1-CD1 3.97Å; I138-F142 HydrophobicContact CD1-CE1 4.12Å; I138-F142 HydrophobicContact CG1-CD1 4.05Å; I138-L143 HydrophobicContact CB-CD1 4.46Å; I138-L143 HydrophobicContact CD1-CD1 4.12Å; I138-L143 HydrophobicContact CD1-CD2 3.6Å; I138-L143 HydrophobicContact CD1-CG 3.76Å; I138-L143 HydrophobicContact CG1-CD1 4.12Å; I138-L143 HydrophobicContact CG1-CD2 4.35Å; I138-L143 HydrophobicContact CG1-CG 3.94Å; I138-L143 HydrophobicContact CG2-CD1 3.55Å; I138-L143 HydrophobicContact CG2-CG 4.33Å; I138-W163 HydrophobicContact CG2-CE3 4.38Å; I138-W163 HydrophobicContact CG2-CH2 4.4Å; I138-W163 HydrophobicContact CG2-CZ3 3.67Å; I138-F171 WeakPolarHBondContact O-CA 3.25Å; I138-I172 HydrophobicContact CG2-CB 4.21Å; I138-I172 PolarHBondContact N-O 2.84Å; I138-I172 PolarHBondContact O-N 3.4Å
139C92.6Very high91Very high39 Ų3961.9 Ų61.926%0.26431%0.314SS..EExtended strand (participates in β ladder)trans-73.7134176.8-175.50000110.1D141 F142 L143 R170 F171C139-D141 VanDerWaalsContact C-N 3.35Å; C139-F142 HydrophobicContact CB-CB 4.13Å; C139-F142 PolarHBondContact O-N 3.05Å; C139-L143 PolarHBondContact O-N 3.4Å; C139-R170 WeakPolarHBondContact CA-O 3.23Å; C139-F171 HydrophobicContact CB-CD1 4.22Å; C139-F171 HydrophobicContact CB-CE1 3.97Å
140V92.4Very high91.1Very high3 Ų361.8 Ų61.82%0.01832%0.318CS..Hα-helixtrans-64-40.9178.1173.80000110.9F142 L143 C144 V154 T169 R170 I172V140-F142 VanDerWaalsContact C-N 3.29Å; V140-F142 PolarHBondContact O-N 3.11Å; V140-L143 WeakPolarHBondContact O-CB 3.39Å; V140-L143 PolarHBondContact O-N 2.92Å; V140-L143 VanDerWaalsContact O-N 3.08Å; V140-C144 PolarHBondContact O-N 3.21Å; V140-C144 PolarHBondContact O-SG 3.07Å; V140-V154 HydrophobicContact CG1-CG1 4.41Å; V140-T169 VanDerWaalsContact CG2-O 3.24Å; V140-T169 WeakPolarHBondContact CG2-O 3.24Å; V140-R170 PolarHBondContact N-O 3.11Å; V140-I172 HydrophobicContact CG2-CD1 3.89Å; V140-I172 HydrophobicContact CG2-CG1 3.48Å; V140-I172 VanDerWaalsContact CG2-CG1 3.48Å
141D92.8Very high91.1Very high103 Ų10359.9 Ų59.955%0.55131%0.314SS*.Hα-helixtrans-60.5-40.8179.4-61.6-31.7000111.5C139 L143 C144 D145C139-D141 VanDerWaalsContact C-N 3.35Å; D141-L143 VanDerWaalsContact C-N 3.35Å; D141-L143 PolarHBondContact O-N 2.99Å; D141-C144 PolarHBondContact O-N 2.9Å; D141-D145 WeakPolarHBondContact O-CB 3.18Å; D141-D145 PolarHBondContact O-N 3.24Å
142F92.9Very high91.1Very high88 Ų8865.3 Ų65.339%0.38634%0.339SS..Hα-helixtrans-61.3-43.5175.1172.2-97000111.7F131 I138 C139 V140 D145 Y146F131-F142 AromaticContact CE1-CE1 3.97Å; F131-F142 HydrophobicContact CE1-CE1 3.97Å; F131-F142 HydrophobicContact CZ-CE1 4.2Å; I138-F142 HydrophobicContact CD1-CD1 3.97Å; I138-F142 HydrophobicContact CD1-CE1 4.12Å; I138-F142 HydrophobicContact CG1-CD1 4.05Å; C139-F142 HydrophobicContact CB-CB 4.13Å; C139-F142 PolarHBondContact O-N 3.05Å; V140-F142 VanDerWaalsContact C-N 3.29Å; V140-F142 PolarHBondContact O-N 3.11Å; F142-D145 PolarHBondContact O-N 3.47Å; F142-Y146 HydrophobicContact CZ-CD2 4.16Å; F142-Y146 WeakPolarHBondContact O-CB 3.2Å; F142-Y146 PolarHBondContact O-N 3.09Å
143L93.1Very high91.4Very high0 Ų065.1 Ų65.10%034%0.342CS..Hα-helixtrans-66.8-41.8177.3-76.4172000112.4F131 I138 C139 V140 D141 D145 Y146 L147 V154 F158 I172F131-L143 HydrophobicContact CD2-CD2 3.7Å; F131-L143 HydrophobicContact CE2-CD2 3.57Å; F131-L143 HydrophobicContact CG-CD2 4.23Å; F131-L143 HydrophobicContact CZ-CD2 4.02Å; I138-L143 HydrophobicContact CB-CD1 4.46Å; I138-L143 HydrophobicContact CD1-CD1 4.12Å; I138-L143 HydrophobicContact CD1-CD2 3.6Å; I138-L143 HydrophobicContact CD1-CG 3.76Å; I138-L143 HydrophobicContact CG1-CD1 4.12Å; I138-L143 HydrophobicContact CG1-CD2 4.35Å; I138-L143 HydrophobicContact CG1-CG 3.94Å; I138-L143 HydrophobicContact CG2-CD1 3.55Å; I138-L143 HydrophobicContact CG2-CG 4.33Å; C139-L143 PolarHBondContact O-N 3.4Å; V140-L143 WeakPolarHBondContact O-CB 3.39Å; V140-L143 PolarHBondContact O-N 2.92Å; V140-L143 VanDerWaalsContact O-N 3.08Å; D141-L143 VanDerWaalsContact C-N 3.35Å; D141-L143 PolarHBondContact O-N 2.99Å; L143-D145 VanDerWaalsContact C-N 3.32Å; L143-D145 PolarHBondContact O-N 3.18Å; L143-Y146 PolarHBondContact O-N 3.32Å; L143-L147 HydrophobicContact CD2-CD1 4.24Å; L143-L147 VanDerWaalsContact O-CB 3.3Å; L143-L147 WeakPolarHBondContact O-CB 3.25Å; L143-L147 PolarHBondContact O-N 3.06Å; L143-V154 HydrophobicContact CB-CG1 3.71Å; L143-V154 HydrophobicContact CB-CG2 4.29Å; L143-V154 HydrophobicContact CD1-CG1 3.73Å; L143-V154 HydrophobicContact CG-CG1 4.38Å; L143-F158 HydrophobicContact CD1-CD2 4.19Å; L143-F158 HydrophobicContact CD1-CE1 4.08Å; L143-F158 HydrophobicContact CD1-CE2 3.61Å; L143-F158 HydrophobicContact CD1-CZ 3.54Å; L143-F158 HydrophobicContact CD2-CE2 4.04Å; L143-F158 HydrophobicContact CD2-CZ 3.69Å; L143-F158 HydrophobicContact CG-CE2 4.38Å; L143-F158 HydrophobicContact CG-CZ 4.27Å; L143-I172 HydrophobicContact CD1-CD1 4.15Å
144C94Very high91.6Very high19 Ų1956 Ų5613%0.12831%0.308CS..Hα-helixtrans-58.5-47.8176-63.80000110.5V140 D141 Y146 S148 I149 S151V140-C144 PolarHBondContact O-N 3.21Å; V140-C144 PolarHBondContact O-SG 3.07Å; D141-C144 PolarHBondContact O-N 2.9Å; C144-Y146 PolarHBondContact O-N 3.3Å; C144-S148 VanDerWaalsContact O-CA 3.26Å; C144-S148 WeakPolarHBondContact O-CA 3.38Å; C144-S148 PolarHBondContact O-N 3.02Å; C144-I149 PolarHBondContact O-N 3.43Å; C144-S151 WeakPolarHBondContact SG-CA 3.26Å
145D93.7Very high91.8Very high102 Ų10253.9 Ų53.955%0.54529%0.288SS..Hα-helixtrans-66-36.5178.5-79.1-8.9000112.6K93 D141 F142 L143K93-D145 VanDerWaalsContact CE-O 3.32Å; K93-D145 WeakPolarHBondContact CE-O 3.39Å; D141-D145 WeakPolarHBondContact O-CB 3.18Å; D141-D145 PolarHBondContact O-N 3.24Å; F142-D145 PolarHBondContact O-N 3.47Å; L143-D145 VanDerWaalsContact C-N 3.32Å; L143-D145 PolarHBondContact O-N 3.18Å
146Y93.9Very high91.9Very high60 Ų6053.4 Ų53.424%0.23529%0.29CS..Hα-helixtrans-77.3-44.1-177.4-168-88.3000112.4M92 V127 F131 F142 L143 C144M92-Y146 HydrophobicContact CB-CE1 3.95Å; V127-Y146 HydrophobicContact CG1-CD1 4.37Å; V127-Y146 HydrophobicContact CG1-CE1 3.82Å; F131-Y146 AromaticContact CE2-CD1 3.95Å; F131-Y146 HydrophobicContact CE2-CD1 3.95Å; F131-Y146 HydrophobicContact CE2-CE1 4.16Å; F131-Y146 AromaticContact CZ-CD1 3.61Å; F131-Y146 HydrophobicContact CZ-CD1 3.61Å; F131-Y146 AromaticContact CZ-CE1 3.74Å; F131-Y146 HydrophobicContact CZ-CE1 3.74Å; F131-Y146 HydrophobicContact CZ-CG 4.1Å; F142-Y146 HydrophobicContact CZ-CD2 4.16Å; F142-Y146 WeakPolarHBondContact O-CB 3.2Å; F142-Y146 PolarHBondContact O-N 3.09Å; L143-Y146 PolarHBondContact O-N 3.32Å; C144-Y146 PolarHBondContact O-N 3.3Å
147L94.4Very high92.2Very high0 Ų051.5 Ų51.50%027%0.274CS..Hα-helixtrans-92-5.8-176.5-61.8176.4000113.1F96 L124 V127 F131 L143 I149 L157 F158F96-L147 WeakPolarHBondContact CB-O 3.23Å; F96-L147 HydrophobicContact CD2-CD2 3.87Å; F96-L147 HydrophobicContact CE2-CD2 3.52Å; F96-L147 HydrophobicContact CZ-CD2 3.91Å; L124-L147 HydrophobicContact CD1-CD1 3.99Å; L124-L147 HydrophobicContact CD1-CD2 3.75Å; L124-L147 HydrophobicContact CD1-CG 4.32Å; V127-L147 HydrophobicContact CG1-CD2 3.83Å; F131-L147 HydrophobicContact CE2-CD2 4.35Å; L143-L147 HydrophobicContact CD2-CD1 4.24Å; L143-L147 VanDerWaalsContact O-CB 3.3Å; L143-L147 WeakPolarHBondContact O-CB 3.25Å; L143-L147 PolarHBondContact O-N 3.06Å; L147-I149 VanDerWaalsContact C-N 3.27Å; L147-I149 HydrophobicContact CB-CD1 3.96Å; L147-I149 HydrophobicContact CB-CG1 3.63Å; L147-I149 HydrophobicContact CD1-CD1 4.07Å; L147-I149 PolarHBondContact O-N 3.44Å; L147-L157 HydrophobicContact CD1-CD2 4.5Å; L147-F158 HydrophobicContact CD1-CE2 4.33Å
148S93.6Very high92.2Very high41 Ų4145.5 Ų45.529%0.28725%0.246SC..THydrogen-bonded Turntrans51.744.9-178.4-58.20000112.8A97 C144A97-S148 VanDerWaalsContact CA-OG 3.29Å; A97-S148 WeakPolarHBondContact CA-OG 3.45Å; A97-S148 PolarHBondContact N-OG 3.26Å; C144-S148 VanDerWaalsContact O-CA 3.26Å; C144-S148 WeakPolarHBondContact O-CA 3.38Å; C144-S148 PolarHBondContact O-N 3.02Å
149I92.7Very high92.1Very high27 Ų2749.8 Ų49.814%0.13827%0.268CS..  trans-128.9162.6177.948.8168.3000110.2C144 L147 D153 V154 L157C144-I149 PolarHBondContact O-N 3.43Å; L147-I149 VanDerWaalsContact C-N 3.27Å; L147-I149 HydrophobicContact CB-CD1 3.96Å; L147-I149 HydrophobicContact CB-CG1 3.63Å; L147-I149 HydrophobicContact CD1-CD1 4.07Å; L147-I149 PolarHBondContact O-N 3.44Å; I149-D153 HydrophobicContact CB-CB 4.2Å; I149-D153 HydrophobicContact CD1-CB 4.33Å; I149-V154 HydrophobicContact CD1-CB 4.37Å; I149-V154 HydrophobicContact CD1-CG2 3.47Å; I149-V154 VanDerWaalsContact CD1-CG2 3.47Å; I149-V154 HydrophobicContact CG1-CG2 3.53Å; I149-L157 HydrophobicContact CD1-CD2 4.37Å
150S92.3Very high91.9Very high55 Ų5555.9 Ų55.939%0.38529%0.293SS..  trans-70.3157.4-179.476.80000111.4Q152 D153 V154S150-Q152 PolarHBondContact O-N 3.03Å; S150-D153 WeakPolarHBondContact CB-OD2 3.15Å; S150-D153 PolarHBondContact N-OD2 3.43Å; S150-D153 PolarHBondContact O-N 2.61Å; S150-D153 VanDerWaalsContact O-N 3.15Å; S150-D153 PolarHBondContact OG-N 3.24Å; S150-D153 PolarHBondContact OG-OD2 3.01Å; S150-V154 WeakPolarHBondContact O-CG2 3.46Å; S150-V154 PolarHBondContact O-N 3.37Å
151S90.3Very high91.6Very high67 Ų6759.5 Ų59.547%0.46931%0.308SS..Hα-helixtrans-59.3-33.1176.454.40000112.8C144 C155C144-S151 WeakPolarHBondContact SG-CA 3.26Å; S151-C155 PolarHBondContact O-N 3.48Å; S151-C155 PolarHBondContact O-SG 2.86Å
152Q90.6Very high91.2Very high125 Ų12557.2 Ų57.258%0.58431%0.309SS*.Hα-helixtrans-64.6-50.1174.5-176.1178.3-15.600111S150 V154 C155 E156S150-Q152 PolarHBondContact O-N 3.03Å; Q152-V154 VanDerWaalsContact C-N 3.29Å; Q152-V154 PolarHBondContact O-N 3.43Å; Q152-C155 PolarHBondContact O-N 2.93Å; Q152-C155 VanDerWaalsContact O-N 3.12Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.41Å; Q152-E156 PolarHBondContact NE2-OE1 3.16Å; Q152-E156 WeakPolarHBondContact O-CG 3.49Å; Q152-E156 PolarHBondContact O-N 3.47Å
153D91.5Very high91Very high76 Ų7653.3 Ų53.341%0.40629%0.292SS..Hα-helixtrans-62.7-37.2179.8-56.7-43.3000111.6I149 S150 L157I149-D153 HydrophobicContact CB-CB 4.2Å; I149-D153 HydrophobicContact CD1-CB 4.33Å; S150-D153 WeakPolarHBondContact CB-OD2 3.15Å; S150-D153 PolarHBondContact N-OD2 3.43Å; S150-D153 PolarHBondContact O-N 2.61Å; S150-D153 VanDerWaalsContact O-N 3.15Å; S150-D153 PolarHBondContact OG-N 3.24Å; S150-D153 PolarHBondContact OG-OD2 3.01Å; D153-L157 WeakPolarHBondContact O-CB 3.43Å; D153-L157 PolarHBondContact O-N 2.83Å
154V91.7Very high90.7Very high0 Ų059.4 Ų59.40%032%0.318CS..Hα-helixtrans-61.7-48.2174.1174.70000110.2V140 L143 I149 S150 Q152 E156 L157 F158 I172V140-V154 HydrophobicContact CG1-CG1 4.41Å; L143-V154 HydrophobicContact CB-CG1 3.71Å; L143-V154 HydrophobicContact CB-CG2 4.29Å; L143-V154 HydrophobicContact CD1-CG1 3.73Å; L143-V154 HydrophobicContact CG-CG1 4.38Å; I149-V154 HydrophobicContact CD1-CB 4.37Å; I149-V154 HydrophobicContact CD1-CG2 3.47Å; I149-V154 VanDerWaalsContact CD1-CG2 3.47Å; I149-V154 HydrophobicContact CG1-CG2 3.53Å; S150-V154 WeakPolarHBondContact O-CG2 3.46Å; S150-V154 PolarHBondContact O-N 3.37Å; Q152-V154 VanDerWaalsContact C-N 3.29Å; Q152-V154 PolarHBondContact O-N 3.43Å; V154-E156 PolarHBondContact O-N 3.49Å; V154-L157 PolarHBondContact O-N 2.86Å; V154-F158 HydrophobicContact CG1-CD2 3.95Å; V154-F158 HydrophobicContact CG1-CE2 4.16Å; V154-F158 VanDerWaalsContact O-CD2 3.26Å; V154-F158 WeakPolarHBondContact O-CD2 3.45Å; V154-F158 PolarHBondContact O-N 3.37Å; V154-I172 HydrophobicContact CG1-CD1 3.88Å
155C90.2Very high90.2Very high19 Ų1960.4 Ų60.413%0.12832%0.324CS..Hα-helixtrans-61.5-46.2-179.9-69.20000111S151 Q152 F158 L159 V165S151-C155 PolarHBondContact O-N 3.48Å; S151-C155 PolarHBondContact O-SG 2.86Å; Q152-C155 PolarHBondContact O-N 2.93Å; Q152-C155 VanDerWaalsContact O-N 3.12Å; C155-F158 PolarHBondContact O-N 3.13Å; C155-L159 VanDerWaalsContact O-CB 3.25Å; C155-L159 WeakPolarHBondContact O-CB 3.38Å; C155-L159 WeakPolarHBondContact O-CD1 3.44Å; C155-L159 WeakPolarHBondContact O-CG 3.31Å; C155-L159 PolarHBondContact O-N 3.29Å; C155-V165 HydrophobicContact CB-CG2 4.15Å
156E91.1Very high89.8Confident91 Ų9157.4 Ų57.443%0.42531%0.31SS..Hα-helixtrans-60.1-49.7177.6-70.6176.1-167.100111.5Q152 V154 F158 L159 E160Q152-E156 WeakPolarHBondContact CG-OE1 3.41Å; Q152-E156 PolarHBondContact NE2-OE1 3.16Å; Q152-E156 WeakPolarHBondContact O-CG 3.49Å; Q152-E156 PolarHBondContact O-N 3.47Å; V154-E156 PolarHBondContact O-N 3.49Å; E156-F158 VanDerWaalsContact C-N 3.32Å; E156-F158 PolarHBondContact O-N 3.38Å; E156-L159 PolarHBondContact O-N 3.38Å; E156-E160 WeakPolarHBondContact O-CG 3.46Å; E156-E160 PolarHBondContact O-N 2.92Å
157L90.4Very high88.9Confident36 Ų3660.8 Ų60.819%0.18834%0.339CS..Hα-helixtrans-57.3-42.8179.4-179.169.3000112.7L124 L147 I149 D153 V154 K161L124-L157 HydrophobicContact CD1-CD2 3.88Å; L124-L157 HydrophobicContact CD2-CD1 4.38Å; L124-L157 HydrophobicContact CD2-CD2 4.07Å; L124-L157 HydrophobicContact CG-CD2 4.04Å; L147-L157 HydrophobicContact CD1-CD2 4.5Å; I149-L157 HydrophobicContact CD1-CD2 4.37Å; D153-L157 WeakPolarHBondContact O-CB 3.43Å; D153-L157 PolarHBondContact O-N 2.83Å; V154-L157 PolarHBondContact O-N 2.86Å; L157-K161 WeakPolarHBondContact O-CG 3.21Å; L157-K161 PolarHBondContact O-N 2.91Å
158F89.8Confident88.2Confident0 Ų065.2 Ų65.20%036%0.363CS..Hα-helixtrans-79.6-32-179-82.9-100000112.4T128 F131 L143 L147 V154 C155 E156 K161 G162 W163 I172T128-F158 HydrophobicContact CG2-CE1 4.21Å; T128-F158 HydrophobicContact CG2-CE2 4.32Å; T128-F158 HydrophobicContact CG2-CZ 4.04Å; F131-F158 HydrophobicContact CB-CE1 4.39Å; F131-F158 HydrophobicContact CB-CZ 4.38Å; F131-F158 HydrophobicContact CD2-CZ 4.25Å; L143-F158 HydrophobicContact CD1-CD2 4.19Å; L143-F158 HydrophobicContact CD1-CE1 4.08Å; L143-F158 HydrophobicContact CD1-CE2 3.61Å; L143-F158 HydrophobicContact CD1-CZ 3.54Å; L143-F158 HydrophobicContact CD2-CE2 4.04Å; L143-F158 HydrophobicContact CD2-CZ 3.69Å; L143-F158 HydrophobicContact CG-CE2 4.38Å; L143-F158 HydrophobicContact CG-CZ 4.27Å; L147-F158 HydrophobicContact CD1-CE2 4.33Å; V154-F158 HydrophobicContact CG1-CD2 3.95Å; V154-F158 HydrophobicContact CG1-CE2 4.16Å; V154-F158 VanDerWaalsContact O-CD2 3.26Å; V154-F158 WeakPolarHBondContact O-CD2 3.45Å; V154-F158 PolarHBondContact O-N 3.37Å; C155-F158 PolarHBondContact O-N 3.13Å; E156-F158 VanDerWaalsContact C-N 3.32Å; E156-F158 PolarHBondContact O-N 3.38Å; F158-K161 CarbonylContact O-C 3.5Å; F158-K161 PolarHBondContact O-N 3.46Å; F158-G162 PolarHBondContact O-N 2.7Å; F158-W163 HydrophobicContact CB-CB 4.12Å; F158-W163 HydrophobicContact CB-CG 4.33Å; F158-W163 AromaticContact CD1-CD2 3.62Å; F158-W163 HydrophobicContact CD1-CD2 3.62Å; F158-W163 AromaticContact CD1-CE3 3.89Å; F158-W163 HydrophobicContact CD1-CE3 3.89Å; F158-W163 AromaticContact CD1-CG 3.92Å; F158-W163 HydrophobicContact CD1-CG 3.92Å; F158-W163 HydrophobicContact CD1-CZ3 4.48Å; F158-W163 HydrophobicContact CE1-CD2 4.27Å; F158-W163 HydrophobicContact CE1-CE3 4.38Å; F158-W163 VanDerWaalsContact O-CB 3.29Å; F158-W163 WeakPolarHBondContact O-CB 3.37Å; F158-W163 PolarHBondContact O-N 3.22Å; F158-I172 HydrophobicContact CB-CD1 3.79Å; F158-I172 HydrophobicContact CB-CG2 4.14Å; F158-I172 HydrophobicContact CD1-CD1 4.48Å; F158-I172 HydrophobicContact CD2-CD1 4.25Å; F158-I172 HydrophobicContact CG-CD1 3.93Å
159L89.2Confident87.3Confident94 Ų9467.5 Ų67.549%0.49238%0.375SS..Hα-helixtrans-62.2-42.7171.5-77.2166.5000111.3C155 E156 K161 G162 V165C155-L159 VanDerWaalsContact O-CB 3.25Å; C155-L159 WeakPolarHBondContact O-CB 3.38Å; C155-L159 WeakPolarHBondContact O-CD1 3.44Å; C155-L159 WeakPolarHBondContact O-CG 3.31Å; C155-L159 PolarHBondContact O-N 3.29Å; E156-L159 PolarHBondContact O-N 3.38Å; L159-K161 PolarHBondContact O-N 3.04Å; L159-G162 PolarHBondContact O-N 3.46Å; L159-V165 HydrophobicContact CD1-CG2 4.16Å; L159-V165 HydrophobicContact CD2-CG2 3.93Å; L159-V165 HydrophobicContact CG-CG2 3.82Å
160E89Confident86.9Confident167 Ų16772.8 Ų72.878%0.7839%0.393SS*.Hα-helixtrans-60.2-31.3174.3-73.3-177.4171.300112.6E156 G162E156-E160 WeakPolarHBondContact O-CG 3.46Å; E156-E160 PolarHBondContact O-N 2.92Å; E160-G162 VanDerWaalsContact C-N 3.26Å; E160-G162 PolarHBondContact O-N 3.24Å
161K85.5Confident86.7Confident80 Ų8074.6 Ų74.635%0.34840%0.395SS..THydrogen-bonded Turntrans-83.25.8174.9-68.8-81.5-173.1164.10113.5T128 D129 L157 F158 L159T128-K161 HydrophobicContact CG2-CG 4.21Å; D129-K161 IonicContact OD1-NZ 3.26Å; D129-K161 PolarHBondContact OD1-NZ 3.31Å; L157-K161 WeakPolarHBondContact O-CG 3.21Å; L157-K161 PolarHBondContact O-N 2.91Å; F158-K161 CarbonylContact O-C 3.5Å; F158-K161 PolarHBondContact O-N 3.46Å; L159-K161 PolarHBondContact O-N 3.04Å
162G85.5Confident86.7Confident54 Ų5471.4 Ų71.456%0.55737%0.372SS*.THydrogen-bonded Turntrans84.712.9175.500000115.3F158 L159 E160F158-G162 PolarHBondContact O-N 2.7Å; L159-G162 PolarHBondContact O-N 3.46Å; E160-G162 VanDerWaalsContact C-N 3.26Å; E160-G162 PolarHBondContact O-N 3.24Å
163W88.2Confident86.5Confident7 Ų766.6 Ų66.63%0.02735%0.352CS..PPolyproline II helixtrans-79157175.4-71.444.3000111.3F132 Y135 I138 F158 I172 H174F132-W163 HydrophobicContact CD2-CZ2 4.28Å; F132-W163 AromaticContact CD2-NE1 3.15Å; F132-W163 AromaticContact CE2-NE1 3.56Å; Y135-W163 WeakPolarHBondContact O-CH2 3.2Å; I138-W163 HydrophobicContact CG2-CE3 4.38Å; I138-W163 HydrophobicContact CG2-CH2 4.4Å; I138-W163 HydrophobicContact CG2-CZ3 3.67Å; F158-W163 HydrophobicContact CB-CB 4.12Å; F158-W163 HydrophobicContact CB-CG 4.33Å; F158-W163 AromaticContact CD1-CD2 3.62Å; F158-W163 HydrophobicContact CD1-CD2 3.62Å; F158-W163 AromaticContact CD1-CE3 3.89Å; F158-W163 HydrophobicContact CD1-CE3 3.89Å; F158-W163 AromaticContact CD1-CG 3.92Å; F158-W163 HydrophobicContact CD1-CG 3.92Å; F158-W163 HydrophobicContact CD1-CZ3 4.48Å; F158-W163 HydrophobicContact CE1-CD2 4.27Å; F158-W163 HydrophobicContact CE1-CE3 4.38Å; F158-W163 VanDerWaalsContact O-CB 3.29Å; F158-W163 WeakPolarHBondContact O-CB 3.37Å; F158-W163 PolarHBondContact O-N 3.22Å; W163-I172 HydrophobicContact CB-CG2 3.53Å; W163-I172 HydrophobicContact CD2-CG2 4.18Å; W163-I172 HydrophobicContact CE3-CB 3.91Å; W163-I172 HydrophobicContact CE3-CG2 3.56Å; W163-I172 HydrophobicContact CG-CG2 4.24Å; W163-H174 AromaticContact CD1-CD2 3.75Å; W163-H174 HydrophobicContact CD2-CB 3.59Å; W163-H174 AromaticContact CE2-CG 3.84Å; W163-H174 HydrophobicContact CE3-CB 3.86Å; W163-H174 HydrophobicContact CG-CB 4.09Å; W163-H174 HydrophobicContact CH2-CB 3.83Å; W163-H174 HydrophobicContact CZ2-CB 3.44Å; W163-H174 VanDerWaalsContact CZ2-CB 3.44Å; W163-H174 HydrophobicContact CZ3-CB 4.01Å; W163-H174 AromaticContact NE1-CD2 3.58Å; W163-H174 AromaticContact NE1-CG 3.74Å
164K86.6Confident85.9Confident128 Ų12864.5 Ų64.556%0.55734%0.34SS*.EExtended strand (participates in β ladder)trans-103.5126.5175-66.7175-175.9166.10109.5I172 S173K164-I172 WeakPolarHBondContact O-CA 3.43Å; K164-I172 WeakPolarHBondContact O-CG2 3.31Å; K164-S173 PolarHBondContact N-O 3Å; K164-S173 PolarHBondContact O-N 3.17Å; K164-S173 PolarHBondContact O-OG 3.49Å
165V85.1Confident84.7Confident40 Ų4068.5 Ų68.524%0.24237%0.368CS..EExtended strand (participates in β ladder)trans-85.7127.1173.2-177.30000108.2C155 L159 T169 I172C155-V165 HydrophobicContact CB-CG2 4.15Å; L159-V165 HydrophobicContact CD1-CG2 4.16Å; L159-V165 HydrophobicContact CD2-CG2 3.93Å; L159-V165 HydrophobicContact CG-CG2 3.82Å; V165-T169 HydrophobicContact CG1-CG2 4.35Å; V165-I172 HydrophobicContact CG2-CG1 4.48Å; V165-I172 HydrophobicContact CG2-CG2 4.19Å
166C83.5Confident83Confident39 Ų3968.4 Ų68.426%0.26437%0.371SS..PPolyproline II helixtrans-62.2151.3174.9-71.10000110.5D168 T169 F171C166-D168 PolarHBondContact O-N 3.5Å; C166-D168 VanDerWaalsContact O-N 3.13Å; C166-T169 WeakPolarHBondContact O-CA 3.38Å; C166-T169 PolarHBondContact O-N 2.88Å; C166-F171 HydrophobicContact CB-CB 4.44Å; C166-F171 WeakPolarHBondContact CB-O 3.46Å; C166-F171 PolarHBondContact N-O 3.23Å
167P76.6Confident81.1Confident130 Ų13071.5 Ų71.584%0.84439%0.385SS*.THydrogen-bonded Turntrans-58.8-29.8-178.522.9-33.5000113T169P167-T169 PolarHBondContact O-N 3.07Å
168D77.9Confident79.2Confident94 Ų9476.4 Ų76.450%0.50341%0.411SS..THydrogen-bonded Turntrans-72.9-6.4175.6-66.1-3.1000113.3C166 R170C166-D168 PolarHBondContact O-N 3.5Å; C166-D168 VanDerWaalsContact O-N 3.13Å; D168-R170 HydrophobicContact CB-CB 4.46Å; D168-R170 HydrophobicContact CB-CG 4.31Å; D168-R170 PolarHBondContact O-N 3.05Å; D168-R170 IonicContact OD2-CZ 3.6Å; D168-R170 IonicContact OD2-NE 2.87Å; D168-R170 IonicContact OD2-NH2 2.73Å; D168-R170 PolarHBondContact OD2-NH2 3.04Å
169T74.7Confident77.1Confident89 Ų8978.1 Ų78.155%0.54643%0.425SS..SBendtrans56.28.2-173.9610000115.6V140 V165 C166 P167V140-T169 VanDerWaalsContact CG2-O 3.24Å; V140-T169 WeakPolarHBondContact CG2-O 3.24Å; V165-T169 HydrophobicContact CG1-CG2 4.35Å; C166-T169 WeakPolarHBondContact O-CA 3.38Å; C166-T169 PolarHBondContact O-N 2.88Å; P167-T169 PolarHBondContact O-N 3.07Å
170R85.9Confident75Confident137 Ų13776.7 Ų76.752%0.51742%0.423SS..SBendtrans-83-30.7-179.6-70.5-173.5-73.2179-2.8113.7C139 V140 D168C139-R170 WeakPolarHBondContact CA-O 3.23Å; V140-R170 PolarHBondContact N-O 3.11Å; D168-R170 HydrophobicContact CB-CB 4.46Å; D168-R170 HydrophobicContact CB-CG 4.31Å; D168-R170 PolarHBondContact O-N 3.05Å; D168-R170 IonicContact OD2-CZ 3.6Å; D168-R170 IonicContact OD2-NE 2.87Å; D168-R170 IonicContact OD2-NH2 2.73Å; D168-R170 PolarHBondContact OD2-NH2 3.04Å
171F88.1Confident72.9Confident94 Ų9475.7 Ų75.741%0.41242%0.423SS..EExtended strand (participates in β ladder)trans-130144.7-175.7-63.9-80.7000110.3I138 C139 C166I138-F171 WeakPolarHBondContact O-CA 3.25Å; C139-F171 HydrophobicContact CB-CD1 4.22Å; C139-F171 HydrophobicContact CB-CE1 3.97Å; C166-F171 HydrophobicContact CB-CB 4.44Å; C166-F171 WeakPolarHBondContact CB-O 3.46Å; C166-F171 PolarHBondContact N-O 3.23Å
172I89.2Confident70.9Confident0 Ų077 Ų770%043%0.434CS..EExtended strand (participates in β ladder)trans-112.2130.4167.7-40.4-174.7000106.6H137 I138 V140 L143 V154 F158 W163 K164 V165H137-I172 WeakPolarHBondContact CA-O 3.42Å; I138-I172 HydrophobicContact CG2-CB 4.21Å; I138-I172 PolarHBondContact N-O 2.84Å; I138-I172 PolarHBondContact O-N 3.4Å; V140-I172 HydrophobicContact CG2-CD1 3.89Å; V140-I172 HydrophobicContact CG2-CG1 3.48Å; V140-I172 VanDerWaalsContact CG2-CG1 3.48Å; L143-I172 HydrophobicContact CD1-CD1 4.15Å; V154-I172 HydrophobicContact CG1-CD1 3.88Å; F158-I172 HydrophobicContact CB-CD1 3.79Å; F158-I172 HydrophobicContact CB-CG2 4.14Å; F158-I172 HydrophobicContact CD1-CD1 4.48Å; F158-I172 HydrophobicContact CD2-CD1 4.25Å; F158-I172 HydrophobicContact CG-CD1 3.93Å; W163-I172 HydrophobicContact CB-CG2 3.53Å; W163-I172 HydrophobicContact CD2-CG2 4.18Å; W163-I172 HydrophobicContact CE3-CB 3.91Å; W163-I172 HydrophobicContact CE3-CG2 3.56Å; W163-I172 HydrophobicContact CG-CG2 4.24Å; K164-I172 WeakPolarHBondContact O-CA 3.43Å; K164-I172 WeakPolarHBondContact O-CG2 3.31Å; V165-I172 HydrophobicContact CG2-CG1 4.48Å; V165-I172 HydrophobicContact CG2-CG2 4.19Å
173S86.3Confident68.7Low23 Ų2378.6 Ų78.616%0.16143%0.429CS..EExtended strand (participates in β ladder)trans-116.8140.8178.358.70000110.3S136 H137 K164S136-S173 WeakPolarHBondContact O-CA 3.3Å; H137-S173 VanDerWaalsContact ND1-CB 3.27Å; H137-S173 WeakPolarHBondContact ND1-CB 3.46Å; K164-S173 PolarHBondContact N-O 3Å; K164-S173 PolarHBondContact O-N 3.17Å; K164-S173 PolarHBondContact O-OG 3.49Å
174H80.3Confident66.7Low32 Ų3288.1 Ų88.115%0.14847%0.471CS..  trans-110.8130.8170.2180-106.5000108.9F132 S136 W163 G176F132-H174 AromaticContact CE1-CE1 3.94Å; F132-H174 AromaticContact CE2-CD2 3.52Å; F132-H174 AromaticContact CE2-CE1 3.48Å; F132-H174 VanDerWaalsContact CE2-CE1 3.48Å; F132-H174 WeakPolarHBondContact CE2-CE1 3.29Å; F132-H174 AromaticContact CE2-ND1 3.99Å; F132-H174 AromaticContact CE2-NE2 3.15Å; F132-H174 WeakPolarHBondContact CE2-NE2 3.17Å; F132-H174 AromaticContact CZ-CE1 3.15Å; F132-H174 WeakPolarHBondContact CZ-CE1 3.29Å; F132-H174 AromaticContact CZ-ND1 3.93Å; F132-H174 AromaticContact CZ-NE2 3.19Å; F132-H174 WeakPolarHBondContact CZ-NE2 3.34Å; S136-H174 PolarHBondContact O-N 2.92Å; W163-H174 AromaticContact CD1-CD2 3.75Å; W163-H174 HydrophobicContact CD2-CB 3.59Å; W163-H174 AromaticContact CE2-CG 3.84Å; W163-H174 HydrophobicContact CE3-CB 3.86Å; W163-H174 HydrophobicContact CG-CB 4.09Å; W163-H174 HydrophobicContact CH2-CB 3.83Å; W163-H174 HydrophobicContact CZ2-CB 3.44Å; W163-H174 VanDerWaalsContact CZ2-CB 3.44Å; W163-H174 HydrophobicContact CZ3-CB 4.01Å; W163-H174 AromaticContact NE1-CD2 3.58Å; W163-H174 AromaticContact NE1-CG 3.74Å; H174-G176 WeakPolarHBondContact CE1-CA 3.42Å; H174-G176 WeakPolarHBondContact ND1-CA 3.13Å; H174-G176 PolarHBondContact ND1-N 3.49Å; H174-G176 PolarHBondContact O-N 3.2Å
175S66.6Low64.8Low84 Ų8484.8 Ų84.859%0.58747%0.467SS*.  trans-74.381.6165.2-64.20000107.1E177S175-E177 PolarHBondContact O-N 3Å
176G54.3Low62.6Low18 Ų1887.8 Ų87.819%0.18648%0.481CS..  trans-50.1133.5178.100000112.6H174 L178 A179H174-G176 WeakPolarHBondContact CE1-CA 3.42Å; H174-G176 WeakPolarHBondContact ND1-CA 3.13Å; H174-G176 PolarHBondContact ND1-N 3.49Å; H174-G176 PolarHBondContact O-N 3.2Å; G176-L178 PolarHBondContact O-N 3.32Å; G176-A179 WeakPolarHBondContact O-CA 3.38Å; G176-A179 WeakPolarHBondContact O-CB 3.31Å; G176-A179 PolarHBondContact O-N 3.37Å
177E51.5Low60.3Low156 Ų15689.9 Ų89.973%0.72950%0.496SS*.Hα-helixtrans-67.2-12.5160-157.5163.5-175.700111.5S175 A179 S180 D181S175-E177 PolarHBondContact O-N 3Å; E177-A179 PolarHBondContact O-N 2.78Å; E177-S180 WeakPolarHBondContact CG-OG 3.46Å; E177-S180 PolarHBondContact O-N 3.42Å; E177-S180 PolarHBondContact O-OG 2.98Å; E177-S180 VanDerWaalsContact O-OG 3.08Å; E177-D181 PolarHBondContact O-N 2.99Å
178L49.4Very low58.6Low139 Ų13988.3 Ų88.373%0.72849%0.488SS*.Hα-helixtrans-64.7-16.3160.9-66.1179.6000112.7G176G176-L178 PolarHBondContact O-N 3.32Å
179A45.4Very low57.2Low36 Ų3690.7 Ų90.730%0.29850%0.496SS..Hα-helixtrans-74-47160.300000109G176 E177 D181 N182 D183G176-A179 WeakPolarHBondContact O-CA 3.38Å; G176-A179 WeakPolarHBondContact O-CB 3.31Å; G176-A179 PolarHBondContact O-N 3.37Å; E177-A179 PolarHBondContact O-N 2.78Å; A179-D181 VanDerWaalsContact C-N 3.32Å; A179-D181 PolarHBondContact O-N 2.89Å; A179-N182 CarbonylContact O-C 3.33Å; A179-N182 PolarHBondContact O-N 3.33Å; A179-D183 WeakPolarHBondContact CB-OD1 3.08Å; A179-D183 WeakPolarHBondContact CB-OD2 3.33Å; A179-D183 VanDerWaalsContact O-CA 3.29Å; A179-D183 WeakPolarHBondContact O-CA 3.15Å; A179-D183 WeakPolarHBondContact O-CB 3.35Å; A179-D183 PolarHBondContact O-N 3.37Å
180S45.6Very low56.2Low63 Ų6394.1 Ų94.144%0.44151%0.511SS..Hα-helixtrans-61.7-29-174.582.10000116.4E177E177-S180 WeakPolarHBondContact CG-OG 3.46Å; E177-S180 PolarHBondContact O-N 3.42Å; E177-S180 PolarHBondContact O-OG 2.98Å; E177-S180 VanDerWaalsContact O-OG 3.08Å
181D44.7Very low54.7Low147 Ų14794 Ų9479%0.78652%0.52SS*.THydrogen-bonded Turntrans-86.3-18.1173.7-96-11.8000114E177 A179E177-D181 PolarHBondContact O-N 2.99Å; A179-D181 VanDerWaalsContact C-N 3.32Å; A179-D181 PolarHBondContact O-N 2.89Å
182N44.3Very low53.3Low108 Ų10892.4 Ų92.458%0.57852%0.518SS*.THydrogen-bonded Turntrans-109.91.1173.6-98.9-5000114.4A179 K184 A185 L186A179-N182 CarbonylContact O-C 3.33Å; A179-N182 PolarHBondContact O-N 3.33Å; N182-K184 PolarHBondContact O-N 3.49Å; N182-A185 WeakPolarHBondContact O-CA 3.37Å; N182-A185 WeakPolarHBondContact O-CB 3.45Å; N182-A185 PolarHBondContact O-N 3.01Å; N182-L186 PolarHBondContact O-N 2.9Å
183D38.8Very low52.7Low86 Ų8696.6 Ų96.646%0.4654%0.544SS..THydrogen-bonded Turntrans-81.8-0.2178-82.5-12.7000110.5A179A179-D183 WeakPolarHBondContact CB-OD1 3.08Å; A179-D183 WeakPolarHBondContact CB-OD2 3.33Å; A179-D183 VanDerWaalsContact O-CA 3.29Å; A179-D183 WeakPolarHBondContact O-CA 3.15Å; A179-D183 WeakPolarHBondContact O-CB 3.35Å; A179-D183 PolarHBondContact O-N 3.37Å
184K46.4Very low52.5Low207 Ų207101.8 Ų101.890%0.957%0.57SS**THydrogen-bonded Turntrans-76-13.5154.5-69.7-170.6-179.9175.80112.8N182N182-K184 PolarHBondContact O-N 3.49Å
185A45.3Very low52.6Low59 Ų59106.2 Ų106.249%0.48860%0.595SS.*THydrogen-bonded Turntrans-111.1-17.5179.100000114.3N182N182-A185 WeakPolarHBondContact O-CA 3.37Å; N182-A185 WeakPolarHBondContact O-CB 3.45Å; N182-A185 PolarHBondContact O-N 3.01Å
186L39.8Very low53.5Low102 Ų102105.2 Ų105.253%0.53458%0.583SS.*SBendtrans-129.2118.2178.3-81.5148.9000110.9N182N182-L186 PolarHBondContact O-N 2.9Å
187C35.4Very low54.9Low84 Ų84109 Ų10957%0.56860%0.599SS**  trans90.457.7166.8-46.90000118.7E189C187-E189 HydrophobicContact CB-CG 4.18Å
188S40.8Very low56.5Low96 Ų96107.1 Ų107.167%0.67159%0.591SS**  -88.868.8120.6-870000108.3N190 D191S188-N190 PolarHBondContact O-N 3.26Å; S188-N190 VanDerWaalsContact O-N 3.13Å; S188-D191 PolarHBondContact O-N 2.94Å
189E49.2Very low58.2Low145 Ų145103.8 Ų103.868%0.67858%0.58SS**THydrogen-bonded Turntrans-67.1-3.9177.6-88-171.7160.700113.4C187C187-E189 HydrophobicContact CB-CG 4.18Å
190N52.8Low60Low160 Ų160107.9 Ų107.986%0.85659%0.587SS**THydrogen-bonded Turntrans-93.2-5.2177.7-71.6-11.8000114.4S188S188-N190 PolarHBondContact O-N 3.26Å; S188-N190 VanDerWaalsContact O-N 3.13Å
191D53.6Low61.8Low135 Ų135109.5 Ų109.572%0.72259%0.591SS**SBendtrans-13210.3179.1-73.1-43.6000114.1S188 T193S188-D191 PolarHBondContact O-N 2.94Å; D191-T193 VanDerWaalsContact C-N 3.33Å; D191-T193 PolarHBondContact O-N 3.31Å
192T58.7Low64Low60 Ų60105.6 Ų105.637%0.36857%0.574SS.*  trans-70.193.1169.934.10000109.1
193T77Confident66.1Low89 Ų89107.3 Ų107.355%0.54658%0.579SS.*  trans-54.4145172.466.80000109.7D191 N195 D196 L197D191-T193 VanDerWaalsContact C-N 3.33Å; D191-T193 PolarHBondContact O-N 3.31Å; T193-N195 PolarHBondContact O-N 2.67Å; T193-D196 WeakPolarHBondContact O-CB 3.48Å; T193-D196 PolarHBondContact O-N 3.27Å; T193-L197 PolarHBondContact O-N 2.65Å
194N83Confident68.6Low131 Ų131108.3 Ų108.370%0.70158%0.584SS**Hα-helixtrans-50.1-28.8179.7-73.8-22.6000113.3L197 M198N194-L197 PolarHBondContact O-N 2.91Å; N194-M198 WeakPolarHBondContact O-CB 3.48Å; N194-M198 VanDerWaalsContact O-CG 3.26Å; N194-M198 WeakPolarHBondContact O-CG 3.45Å; N194-M198 PolarHBondContact O-N 3.34Å
195N83Confident70.5Confident125 Ų125104.9 Ų104.967%0.66857%0.573SS**Hα-helixtrans-65.1-38.2175.5-71.1-17.4000112.8T193 M198 S199T193-N195 PolarHBondContact O-N 2.67Å; N195-M198 PolarHBondContact O-N 3.01Å; N195-S199 WeakPolarHBondContact O-CB 3.42Å; N195-S199 PolarHBondContact O-N 3.07Å; N195-S199 PolarHBondContact O-OG 3.48Å
196D83.8Confident72.6Confident64 Ų64105.4 Ų105.434%0.34257%0.572SS.*Hα-helixtrans-68.9-39.7177.8-160.343.8000110.7T193 S199 R200T193-D196 WeakPolarHBondContact O-CB 3.48Å; T193-D196 PolarHBondContact O-N 3.27Å; D196-S199 WeakPolarHBondContact O-CB 3.43Å; D196-S199 PolarHBondContact O-N 2.92Å; D196-R200 PolarHBondContact O-N 2.96Å; D196-R200 IonicContact OD2-NE 3.95Å; D196-R200 IonicContact OD2-NH2 3.64Å
197L84Confident75Confident98 Ų98107 Ų10751%0.51358%0.575SS.*Hα-helixtrans-61.3-46.9173.7-164.277.6000111.5T193 N194 S199 R200 L201T193-L197 PolarHBondContact O-N 2.65Å; N194-L197 PolarHBondContact O-N 2.91Å; L197-S199 VanDerWaalsContact C-N 3.26Å; L197-S199 PolarHBondContact O-N 3.05Å; L197-R200 PolarHBondContact O-N 3.13Å; L197-L201 HydrophobicContact CG-CD1 4.39Å; L197-L201 WeakPolarHBondContact O-CG 3.45Å; L197-L201 PolarHBondContact O-N 3.31Å
198M86.1Confident77.6Confident115 Ų115108.8 Ų108.857%0.56758%0.576SS**Hα-helixtrans-62.2-34.5176.9-73.5-63.9-65.500112.2N194 N195 S202N194-M198 WeakPolarHBondContact O-CB 3.48Å; N194-M198 VanDerWaalsContact O-CG 3.26Å; N194-M198 WeakPolarHBondContact O-CG 3.45Å; N194-M198 PolarHBondContact O-N 3.34Å; N195-M198 PolarHBondContact O-N 3.01Å; M198-S202 WeakPolarHBondContact O-CB 3.31Å; M198-S202 PolarHBondContact O-N 2.93Å; M198-S202 PolarHBondContact O-OG 3.15Å
199S83.9Confident79.5Confident70 Ų70112 Ų11249%0.4958%0.581SS.*Hα-helixtrans-66.7-47.6178.1-56.50000110.9N195 D196 L197 L201 S202 E203N195-S199 WeakPolarHBondContact O-CB 3.42Å; N195-S199 PolarHBondContact O-N 3.07Å; N195-S199 PolarHBondContact O-OG 3.48Å; D196-S199 WeakPolarHBondContact O-CB 3.43Å; D196-S199 PolarHBondContact O-N 2.92Å; L197-S199 VanDerWaalsContact C-N 3.26Å; L197-S199 PolarHBondContact O-N 3.05Å; S199-L201 PolarHBondContact O-N 2.96Å; S199-S202 WeakPolarHBondContact O-CB 3.41Å; S199-S202 PolarHBondContact O-N 3.34Å; S199-E203 PolarHBondContact O-N 3.17Å
200R83.5Confident80.6Confident122 Ų122111.4 Ų111.446%0.4658%0.582SS.*Hα-helixtrans-63.7-41.4177.4-68.4-179.1-176.2-150.1-0.9112.8D196 L197 S202 E203 L204D196-R200 PolarHBondContact O-N 2.96Å; D196-R200 IonicContact OD2-NE 3.95Å; D196-R200 IonicContact OD2-NH2 3.64Å; L197-R200 PolarHBondContact O-N 3.13Å; R200-S202 VanDerWaalsContact C-N 3.31Å; R200-S202 PolarHBondContact O-N 3.01Å; R200-E203 PolarHBondContact O-N 3.08Å; R200-L204 WeakPolarHBondContact O-CB 3.42Å; R200-L204 PolarHBondContact O-N 3.12Å
201L84Confident80.7Confident97 Ų97113.3 Ų113.351%0.50859%0.585SS.*Hα-helixtrans-63.4-39.2175.6-74.7172.3000111.9L197 S199 L204 M205L197-L201 HydrophobicContact CG-CD1 4.39Å; L197-L201 WeakPolarHBondContact O-CG 3.45Å; L197-L201 PolarHBondContact O-N 3.31Å; S199-L201 PolarHBondContact O-N 2.96Å; L201-L204 PolarHBondContact O-N 3.28Å; L201-M205 PolarHBondContact O-N 2.92Å
202S89.7Confident82Confident64 Ų64112.2 Ų112.245%0.44858%0.579SS.*Hα-helixtrans-65.6-43.1175.5-57.60000111.3M198 S199 R200 L204 M205 C206M198-S202 WeakPolarHBondContact O-CB 3.31Å; M198-S202 PolarHBondContact O-N 2.93Å; M198-S202 PolarHBondContact O-OG 3.15Å; S199-S202 WeakPolarHBondContact O-CB 3.41Å; S199-S202 PolarHBondContact O-N 3.34Å; R200-S202 VanDerWaalsContact C-N 3.31Å; R200-S202 PolarHBondContact O-N 3.01Å; S202-L204 VanDerWaalsContact C-N 3.33Å; S202-L204 PolarHBondContact O-N 3.11Å; S202-M205 PolarHBondContact O-N 3.32Å; S202-C206 PolarHBondContact O-N 2.98Å; S202-C206 PolarHBondContact O-SG 3.2Å
203E90.1Very high83.3Confident145 Ų145114.9 Ų114.968%0.67859%0.59SS**Hα-helixtrans-63.2-39.5178-158171.5-151.700111.9S199 R200 C206 F207S199-E203 PolarHBondContact O-N 3.17Å; R200-E203 PolarHBondContact O-N 3.08Å; E203-C206 PolarHBondContact O-N 3.38Å; E203-F207 PolarHBondContact O-N 3.18Å
204L90Very high83.6Confident107 Ų107116.4 Ų116.456%0.5659%0.592SS**Hα-helixtrans-67.8-39.9175.6-166.6125.1000112.4R200 L201 S202 F207 M208R200-L204 WeakPolarHBondContact O-CB 3.42Å; R200-L204 PolarHBondContact O-N 3.12Å; L201-L204 PolarHBondContact O-N 3.28Å; S202-L204 VanDerWaalsContact C-N 3.33Å; S202-L204 PolarHBondContact O-N 3.11Å; L204-F207 PolarHBondContact O-N 3.47Å; L204-M208 WeakPolarHBondContact O-CG 3.39Å; L204-M208 PolarHBondContact O-N 3.33Å
205M86.9Confident83.7Confident134 Ų134115.5 Ų115.566%0.6659%0.586SS**Hα-helixtrans-60.7-47171.5-88-106.6-84.200111.4L201 S202 F207 M208 E209L201-M205 PolarHBondContact O-N 2.92Å; S202-M205 PolarHBondContact O-N 3.32Å; M205-F207 VanDerWaalsContact C-N 3.27Å; M205-F207 PolarHBondContact O-N 3.36Å; M205-M208 PolarHBondContact O-N 3.4Å; M205-E209 WeakPolarHBondContact O-CB 3.47Å; M205-E209 PolarHBondContact O-N 3.4Å
206C88.3Confident83.7Confident70 Ų70114.9 Ų114.947%0.47358%0.581SS.*Hα-helixtrans-59.6-36.6175.7-72.10000112.7S202 E203 N210S202-C206 PolarHBondContact O-N 2.98Å; S202-C206 PolarHBondContact O-SG 3.2Å; E203-C206 PolarHBondContact O-N 3.38Å; C206-N210 PolarHBondContact O-N 3.5Å; C206-N210 PolarHBondContact O-ND2 2.88Å
207F90.9Very high83.7Confident135 Ų135118.3 Ų118.359%0.59260%0.597SS**Hα-helixtrans-68-43.3177-179.3-97.9000112E203 L204 M205 E209 N210 H211E203-F207 PolarHBondContact O-N 3.18Å; L204-F207 PolarHBondContact O-N 3.47Å; M205-F207 VanDerWaalsContact C-N 3.27Å; M205-F207 PolarHBondContact O-N 3.36Å; F207-E209 VanDerWaalsContact C-N 3.31Å; F207-E209 PolarHBondContact O-N 2.99Å; F207-N210 PolarHBondContact O-N 3.34Å; F207-H211 AromaticContact CE2-CD2 3.73Å; F207-H211 AromaticContact CE2-NE2 3.84Å; F207-H211 AromaticContact CZ-CD2 3.69Å
208M89.5Confident83.7Confident122 Ų122119.8 Ų119.860%0.60160%0.602SS**Hα-helixtrans-70.1-27.1177.8-66.1-150.2-4700113.3L204 M205 N210L204-M208 WeakPolarHBondContact O-CG 3.39Å; L204-M208 PolarHBondContact O-N 3.33Å; M205-M208 PolarHBondContact O-N 3.4Å; M208-N210 VanDerWaalsContact C-N 3.31Å
209E82.3Confident83.5Confident164 Ų164120.2 Ų120.277%0.76661%0.605SS**Hα-helixtrans-77.8-18.8-179.9-156.8171.1-162.400112.8M205 F207M205-E209 WeakPolarHBondContact O-CB 3.47Å; M205-E209 PolarHBondContact O-N 3.4Å; F207-E209 VanDerWaalsContact C-N 3.31Å; F207-E209 PolarHBondContact O-N 2.99Å
210N71.7Confident83.4Confident133 Ų133124.3 Ų124.371%0.71162%0.615SS**THydrogen-bonded Turntrans-99.66-179-73.8-55.3000114.6C206 F207 M208C206-N210 PolarHBondContact O-N 3.5Å; C206-N210 PolarHBondContact O-ND2 2.88Å; F207-N210 PolarHBondContact O-N 3.34Å; M208-N210 VanDerWaalsContact C-N 3.31Å
211H54.3Low83.4Confident199 Ų199124.5 Ų124.592%0.92163%0.629SS**  trans-1310177.5-81.5-55.6000111.7F207F207-H211 AromaticContact CE2-CD2 3.73Å; F207-H211 AromaticContact CE2-NE2 3.84Å; F207-H211 AromaticContact CZ-CD2 3.69Å

Retrieved 211 of 211 residues in 176.5 ms (Link to these results)

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