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Uroplakin-1b

Component of the asymmetric unit membrane (AUM); a highly specialized biomembrane elaborated by terminally differentiated urothelial cells. May play an important role in normal bladder epithelial physiology, possibly in regulating membrane permeability of superficial umbrella cells or in stabilizing the apical membrane through AUM/cytoskeletal interactions.

AlphaFold DB (G7MKD6), UniProt , Accession A0A096MRT9, Species PAPAN (Papio anubis, Olive baboon), Gene UPK1B, Length 260 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
1M50.3Low72.4Confident207 Ų207114.3 Ų114.3100%1.0261%0.607SS**  0-63.80-84.3170.2170.300112.3K3 D4 D5M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 2.78Å; M1-K3 VanDerWaalsContact O-N 3.11Å; M1-D4 WeakPolarHBondContact O-CB 3.41Å; M1-D4 PolarHBondContact O-N 3.15Å; M1-D5 PolarHBondContact O-N 3.3Å
2A52.1Low73.9Confident75 Ų75107.8 Ų107.862%0.6257%0.571SS**Hα-helixtrans-58.2-30.9-175.600000117D4 S6A2-D4 VanDerWaalsContact C-N 3.32Å; A2-S6 WeakPolarHBondContact O-CB 3.31Å; A2-S6 PolarHBondContact O-N 3.11Å; A2-S6 VanDerWaalsContact O-N 3.15Å; A2-S6 PolarHBondContact O-OG 3.34Å
3K50.8Low75.3Confident184 Ų184102.4 Ų102.480%0.856%0.556SS**Hα-helixtrans-72.6-26.9178-146.1176.5-173.2-179.30112.5M1 T7M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 2.78Å; M1-K3 VanDerWaalsContact O-N 3.11Å; K3-T7 WeakPolarHBondContact O-CB 3.42Å; K3-T7 PolarHBondContact O-N 3.31Å; K3-T7 PolarHBondContact O-OG1 2.97Å
4D64.1Low76.7Confident115 Ų115102.9 Ų102.962%0.61556%0.558SS**Hα-helixtrans-78.2-47.1178.9-155.433.7000110M1 A2 S6 T7 V8M1-D4 WeakPolarHBondContact O-CB 3.41Å; M1-D4 PolarHBondContact O-N 3.15Å; A2-D4 VanDerWaalsContact C-N 3.32Å; D4-S6 VanDerWaalsContact C-N 3.33Å; D4-S6 PolarHBondContact O-N 2.69Å; D4-T7 PolarHBondContact O-N 3Å; D4-T7 VanDerWaalsContact O-N 3.13Å; D4-V8 VanDerWaalsContact O-CG2 3.31Å; D4-V8 WeakPolarHBondContact O-CG2 3.45Å; D4-V8 PolarHBondContact O-N 3.13Å
5D72.4Confident77.9Confident102 Ų10296.3 Ų96.355%0.54552%0.521SS..Hα-helixtrans-60.4-39.6174.9-71.1-34.1000113.2M1 T7 R9M1-D5 PolarHBondContact O-N 3.3Å; D5-T7 VanDerWaalsContact C-N 3.34Å; D5-R9 WeakPolarHBondContact O-CB 3.45Å; D5-R9 VanDerWaalsContact O-CG 3.3Å; D5-R9 WeakPolarHBondContact O-CG 3.39Å; D5-R9 PolarHBondContact O-N 2.97Å
6S79.4Confident79Confident75 Ų7593.1 Ų93.152%0.52450%0.504SS..Hα-helixtrans-67.6-36.5177.7-580000111.8A2 D4 C10A2-S6 WeakPolarHBondContact O-CB 3.31Å; A2-S6 PolarHBondContact O-N 3.11Å; A2-S6 VanDerWaalsContact O-N 3.15Å; A2-S6 PolarHBondContact O-OG 3.34Å; D4-S6 VanDerWaalsContact C-N 3.33Å; D4-S6 PolarHBondContact O-N 2.69Å; S6-C10 WeakPolarHBondContact O-CB 3.36Å; S6-C10 PolarHBondContact O-N 2.96Å
7T81.3Confident80Confident88 Ų8895 Ų9554%0.5451%0.506SS..Hα-helixtrans-69.8-43.5178.4-58.20000110.8K3 D4 D5 R9 C10 F11K3-T7 WeakPolarHBondContact O-CB 3.42Å; K3-T7 PolarHBondContact O-N 3.31Å; K3-T7 PolarHBondContact O-OG1 2.97Å; D4-T7 PolarHBondContact O-N 3Å; D4-T7 VanDerWaalsContact O-N 3.13Å; D5-T7 VanDerWaalsContact C-N 3.34Å; T7-R9 PolarHBondContact O-N 3.35Å; T7-C10 PolarHBondContact O-N 3.49Å; T7-F11 WeakPolarHBondContact O-CB 3.3Å; T7-F11 PolarHBondContact O-N 3.02Å
8V82.6Confident80.8Confident62 Ų6289.8 Ų89.838%0.37648%0.479SS..Hα-helixtrans-61.2-45.3175.9174.70000110.9D4 F11 Q12 Y254D4-V8 VanDerWaalsContact O-CG2 3.31Å; D4-V8 WeakPolarHBondContact O-CG2 3.45Å; D4-V8 PolarHBondContact O-N 3.13Å; V8-F11 PolarHBondContact O-N 2.89Å; V8-Q12 WeakPolarHBondContact O-CG 3.33Å; V8-Q12 PolarHBondContact O-N 3.27Å; V8-Y254 HydrophobicContact CG1-CE2 4.48Å
9R85.2Confident81.7Confident192 Ų19285.1 Ų85.173%0.72545%0.454SS*.Hα-helixtrans-64.7-40.4177.2-77176.3147-171.3-5.3113.3D5 T7 F11 Q12 G13D5-R9 WeakPolarHBondContact O-CB 3.45Å; D5-R9 VanDerWaalsContact O-CG 3.3Å; D5-R9 WeakPolarHBondContact O-CG 3.39Å; D5-R9 PolarHBondContact O-N 2.97Å; T7-R9 PolarHBondContact O-N 3.35Å; R9-F11 VanDerWaalsContact C-N 3.31Å; R9-Q12 PolarHBondContact O-N 2.69Å; R9-G13 PolarHBondContact O-N 3.29Å
10C88.1Confident82.4Confident94 Ų9484 Ų8464%0.63545%0.45SS*.Hα-helixtrans-61.4-43.2174.4-176.50000110.9S6 T7 G13 L14S6-C10 WeakPolarHBondContact O-CB 3.36Å; S6-C10 PolarHBondContact O-N 2.96Å; T7-C10 PolarHBondContact O-N 3.49Å; C10-G13 PolarHBondContact O-N 3.46Å; C10-L14 PolarHBondContact O-N 3.34Å
11F89.6Confident83.1Confident63 Ų6382.3 Ų82.328%0.27644%0.441SS..Hα-helixtrans-65.7-43.6177.7-167.4-116.9000112.6T7 V8 R9 G13 L14 L15 F253 Y254T7-F11 WeakPolarHBondContact O-CB 3.3Å; T7-F11 PolarHBondContact O-N 3.02Å; V8-F11 PolarHBondContact O-N 2.89Å; R9-F11 VanDerWaalsContact C-N 3.31Å; F11-G13 VanDerWaalsContact C-N 3.31Å; F11-G13 PolarHBondContact O-N 3.02Å; F11-L14 PolarHBondContact O-N 2.91Å; F11-L15 HydrophobicContact CD1-CD1 4.05Å; F11-L15 HydrophobicContact CE1-CD1 3.78Å; F11-L15 HydrophobicContact CE1-CG 4.37Å; F11-L15 HydrophobicContact CZ-CD1 4.28Å; F11-L15 HydrophobicContact CZ-CD2 4.4Å; F11-L15 HydrophobicContact CZ-CG 4.47Å; F11-L15 WeakPolarHBondContact O-CG 3.49Å; F11-L15 PolarHBondContact O-N 3.4Å; F11-F253 AromaticContact CE1-CD1 3.81Å; F11-F253 HydrophobicContact CE1-CD1 3.81Å; F11-F253 HydrophobicContact CE1-CE1 4.45Å; F11-F253 AromaticContact CZ-CD1 3.87Å; F11-F253 HydrophobicContact CZ-CD1 3.87Å; F11-Y254 HydrophobicContact CD1-CD2 4.22Å
12Q90.8Very high85.2Confident37 Ų3772.5 Ų72.517%0.17339%0.393CS..Hα-helixtrans-56.6-45.5171.7-72.4174.5-44.600111.6V8 R9 L14 L15 I16 I80 Y254V8-Q12 WeakPolarHBondContact O-CG 3.33Å; V8-Q12 PolarHBondContact O-N 3.27Å; R9-Q12 PolarHBondContact O-N 2.69Å; Q12-L14 VanDerWaalsContact C-N 3.32Å; Q12-L14 PolarHBondContact O-N 2.9Å; Q12-L15 PolarHBondContact O-N 3.27Å; Q12-I16 WeakPolarHBondContact O-CB 3.26Å; Q12-I16 VanDerWaalsContact O-CG1 3.26Å; Q12-I16 WeakPolarHBondContact O-CG1 3.41Å; Q12-I16 PolarHBondContact O-N 3.45Å; Q12-I80 HydrophobicContact CB-CG2 3.89Å; Q12-I80 HydrophobicContact CG-CG2 3.96Å; Q12-Y254 HydrophobicContact CG-CD2 4.5Å; Q12-Y254 HydrophobicContact CG-CE2 3.7Å; Q12-Y254 PolarHBondContact NE2-OH 2.93Å
13G92.6Very high87.3Confident37 Ų3769.1 Ų69.138%0.38137%0.365SS..Hα-helixtrans-59.3-41.7177.100000112.8R9 C10 F11 I16 F17R9-G13 PolarHBondContact O-N 3.29Å; C10-G13 PolarHBondContact O-N 3.46Å; F11-G13 VanDerWaalsContact C-N 3.31Å; F11-G13 PolarHBondContact O-N 3.02Å; G13-I16 PolarHBondContact O-N 3.35Å; G13-F17 WeakPolarHBondContact O-CB 3.49Å; G13-F17 PolarHBondContact O-N 3.24Å
14L94.1Very high89.5Confident110 Ų11064 Ų6458%0.57635%0.351SS*.Hα-helixtrans-64.8-42.1176.4-175.6142.3000112.2C10 F11 Q12 F17 G18C10-L14 PolarHBondContact O-N 3.34Å; F11-L14 PolarHBondContact O-N 2.91Å; Q12-L14 VanDerWaalsContact C-N 3.32Å; Q12-L14 PolarHBondContact O-N 2.9Å; L14-F17 PolarHBondContact O-N 3.46Å; L14-G18 PolarHBondContact O-N 2.9Å
15L94.5Very high90.9Very high3 Ų359.8 Ų59.82%0.01633%0.33CS..Hα-helixtrans-68.3-36.7176.8-64.6177.5000112.4F11 Q12 G18 N19 I80 Y254F11-L15 HydrophobicContact CD1-CD1 4.05Å; F11-L15 HydrophobicContact CE1-CD1 3.78Å; F11-L15 HydrophobicContact CE1-CG 4.37Å; F11-L15 HydrophobicContact CZ-CD1 4.28Å; F11-L15 HydrophobicContact CZ-CD2 4.4Å; F11-L15 HydrophobicContact CZ-CG 4.47Å; F11-L15 WeakPolarHBondContact O-CG 3.49Å; F11-L15 PolarHBondContact O-N 3.4Å; Q12-L15 PolarHBondContact O-N 3.27Å; L15-G18 PolarHBondContact O-N 3Å; L15-N19 PolarHBondContact O-N 3.28Å; L15-N19 PolarHBondContact O-ND2 2.86Å; L15-I80 HydrophobicContact CB-CD1 3.57Å; L15-I80 HydrophobicContact CB-CG1 4.48Å; L15-Y254 HydrophobicContact CD1-CG 4.06Å
16I95.4Very high91.9Very high46 Ų4654.9 Ų54.924%0.23630%0.304CS..Hα-helixtrans-62.7-48.5173.4-71.3166.1000109.7Q12 G13 G18 N19 V20 I77 I80 M81Q12-I16 WeakPolarHBondContact O-CB 3.26Å; Q12-I16 VanDerWaalsContact O-CG1 3.26Å; Q12-I16 WeakPolarHBondContact O-CG1 3.41Å; Q12-I16 PolarHBondContact O-N 3.45Å; G13-I16 PolarHBondContact O-N 3.35Å; I16-G18 VanDerWaalsContact C-N 3.29Å; I16-G18 PolarHBondContact O-N 2.93Å; I16-N19 PolarHBondContact O-N 2.96Å; I16-N19 VanDerWaalsContact O-N 3.16Å; I16-V20 HydrophobicContact CG2-CG2 4.49Å; I16-V20 WeakPolarHBondContact O-CG2 3.3Å; I16-V20 PolarHBondContact O-N 3.02Å; I16-I77 HydrophobicContact CG1-CG2 4.43Å; I16-I77 HydrophobicContact CG2-CG1 4.29Å; I16-I77 HydrophobicContact CG2-CG2 4.17Å; I16-I80 HydrophobicContact CD1-CG2 4.16Å; I16-I80 HydrophobicContact CG1-CB 4.28Å; I16-I80 HydrophobicContact CG1-CD1 4.37Å; I16-I80 HydrophobicContact CG1-CG2 3.96Å; I16-M81 HydrophobicContact CD1-CG 3.92Å
17F96.4Very high92.7Very high125 Ų12555.5 Ų55.555%0.54830%0.301SS..Hα-helixtrans-58.2-42.5175.8177.9-106.1000112.1G13 L14 N19 V20 I21G13-F17 WeakPolarHBondContact O-CB 3.49Å; G13-F17 PolarHBondContact O-N 3.24Å; L14-F17 PolarHBondContact O-N 3.46Å; F17-N19 VanDerWaalsContact C-N 3.35Å; F17-N19 PolarHBondContact O-N 2.9Å; F17-V20 PolarHBondContact O-N 3.43Å; F17-I21 HydrophobicContact CD1-CD1 3.93Å; F17-I21 HydrophobicContact CE1-CD1 3.31Å; F17-I21 HydrophobicContact CE1-CG1 4.37Å; F17-I21 HydrophobicContact CE2-CD1 4.21Å; F17-I21 HydrophobicContact CZ-CD1 3.48Å; F17-I21 VanDerWaalsContact CZ-CD1 3.48Å; F17-I21 HydrophobicContact CZ-CG1 4.22Å; F17-I21 PolarHBondContact O-N 3.22Å
18G95.5Very high93.2Very high2 Ų253.5 Ų53.52%0.02129%0.293CS..Hα-helixtrans-56.7-45.6174.300000113.3L14 L15 I16 I21 I22 W243L14-G18 PolarHBondContact O-N 2.9Å; L15-G18 PolarHBondContact O-N 3Å; I16-G18 VanDerWaalsContact C-N 3.29Å; I16-G18 PolarHBondContact O-N 2.93Å; G18-I21 PolarHBondContact O-N 3.4Å; G18-I22 WeakPolarHBondContact O-CG1 3.39Å; G18-I22 PolarHBondContact O-N 3.42Å; G18-W243 PolarHBondContact O-NE1 3.13Å; G18-W243 VanDerWaalsContact O-NE1 3.1Å
19N96.2Very high93.6Very high0 Ų051.5 Ų51.50%028%0.28CS..Hα-helixtrans-68.9-36.5176-78.9-82.7000112.3L15 I16 F17 I21 I22 G23 S73 I77 Y91L15-N19 PolarHBondContact O-N 3.28Å; L15-N19 PolarHBondContact O-ND2 2.86Å; I16-N19 PolarHBondContact O-N 2.96Å; I16-N19 VanDerWaalsContact O-N 3.16Å; F17-N19 VanDerWaalsContact C-N 3.35Å; F17-N19 PolarHBondContact O-N 2.9Å; N19-I21 VanDerWaalsContact C-N 3.31Å; N19-I21 PolarHBondContact O-N 2.96Å; N19-I22 PolarHBondContact O-N 2.96Å; N19-I22 VanDerWaalsContact O-N 3.15Å; N19-G23 PolarHBondContact O-N 3.45Å; N19-S73 VanDerWaalsContact O-CB 3.25Å; N19-S73 WeakPolarHBondContact O-CB 3.47Å; N19-I77 HydrophobicContact CB-CD1 4.18Å; N19-I77 HydrophobicContact CB-CG1 3.66Å; N19-Y91 PolarHBondContact OD1-OH 2.8Å
20V97.1Very high93.9Very high63 Ų6343.3 Ų43.338%0.38225%0.251SS..Hα-helixtrans-57.9-44.8174.3169.80000111.1I16 F17 I22 G23 C24 I77I16-V20 HydrophobicContact CG2-CG2 4.49Å; I16-V20 WeakPolarHBondContact O-CG2 3.3Å; I16-V20 PolarHBondContact O-N 3.02Å; F17-V20 PolarHBondContact O-N 3.43Å; V20-I22 VanDerWaalsContact C-N 3.33Å; V20-I22 PolarHBondContact O-N 3.33Å; V20-G23 PolarHBondContact O-N 3.45Å; V20-C24 PolarHBondContact O-N 3.38Å; V20-C24 PolarHBondContact O-SG 3.26Å; V20-C24 VanDerWaalsContact O-SG 3.39Å; V20-I77 HydrophobicContact CG2-CD1 3.77Å
21I96.4Very high94.1Very high49 Ų4941.5 Ų41.525%0.25124%0.243SC..Hα-helixtrans-59.3-45.5175.8-72167.8000110.8F17 G18 N19 G23 C24 C25 W243F17-I21 HydrophobicContact CD1-CD1 3.93Å; F17-I21 HydrophobicContact CE1-CD1 3.31Å; F17-I21 HydrophobicContact CE1-CG1 4.37Å; F17-I21 HydrophobicContact CE2-CD1 4.21Å; F17-I21 HydrophobicContact CZ-CD1 3.48Å; F17-I21 VanDerWaalsContact CZ-CD1 3.48Å; F17-I21 HydrophobicContact CZ-CG1 4.22Å; F17-I21 PolarHBondContact O-N 3.22Å; G18-I21 PolarHBondContact O-N 3.4Å; N19-I21 VanDerWaalsContact C-N 3.31Å; N19-I21 PolarHBondContact O-N 2.96Å; I21-G23 VanDerWaalsContact C-N 3.3Å; I21-G23 PolarHBondContact O-N 3.41Å; I21-C24 PolarHBondContact O-N 2.94Å; I21-C25 WeakPolarHBondContact O-CB 3.43Å; I21-C25 PolarHBondContact O-N 3.45Å; I21-C25 PolarHBondContact O-SG 2.88Å; I21-C25 VanDerWaalsContact O-SG 3.33Å; I21-W243 HydrophobicContact CB-CZ2 4.39Å; I21-W243 HydrophobicContact CD1-CH2 3.93Å; I21-W243 HydrophobicContact CD1-CZ2 3.37Å; I21-W243 HydrophobicContact CG1-CZ2 4.43Å
22I95.3Very high93.9Very high1 Ų141.4 Ų41.41%0.00524%0.244CC..Hα-helixtrans-60.2-42.5177.6-63.6167000111G18 N19 V20 C25 G26 L69 M95 T244 V247G18-I22 WeakPolarHBondContact O-CG1 3.39Å; G18-I22 PolarHBondContact O-N 3.42Å; N19-I22 PolarHBondContact O-N 2.96Å; N19-I22 VanDerWaalsContact O-N 3.15Å; V20-I22 VanDerWaalsContact C-N 3.33Å; V20-I22 PolarHBondContact O-N 3.33Å; I22-C25 PolarHBondContact O-N 2.93Å; I22-G26 PolarHBondContact O-N 3.29Å; I22-L69 HydrophobicContact CG2-CB 4.48Å; I22-L69 HydrophobicContact CG2-CD2 4.24Å; I22-M95 HydrophobicContact CD1-CE 4.04Å; I22-M95 HydrophobicContact CG2-CE 3.78Å; I22-T244 HydrophobicContact CD1-CG2 4.27Å; I22-V247 HydrophobicContact CD1-CB 4.04Å; I22-V247 HydrophobicContact CD1-CG1 3.98Å; I22-V247 HydrophobicContact CD1-CG2 4.16Å
23G96.3Very high93.6Very high3 Ų340.5 Ų40.53%0.03124%0.241CC..Hα-helixtrans-62.2-44.1176.600000112.7N19 V20 I21 G26 I27 S73N19-G23 PolarHBondContact O-N 3.45Å; V20-G23 PolarHBondContact O-N 3.45Å; I21-G23 VanDerWaalsContact C-N 3.3Å; I21-G23 PolarHBondContact O-N 3.41Å; G23-G26 PolarHBondContact O-N 3.47Å; G23-I27 WeakPolarHBondContact O-CG1 3.41Å; G23-I27 PolarHBondContact O-N 3.44Å; G23-S73 VanDerWaalsContact CA-OG 3.23Å; G23-S73 WeakPolarHBondContact CA-OG 3.44Å
24C95.9Very high93.4Very high76 Ų7642.9 Ų42.951%0.51425%0.245SC..Hα-helixtrans-62.3-42.1174.6-69.50000112V20 I21 I27 A28V20-C24 PolarHBondContact O-N 3.38Å; V20-C24 PolarHBondContact O-SG 3.26Å; V20-C24 VanDerWaalsContact O-SG 3.39Å; I21-C24 PolarHBondContact O-N 2.94Å; C24-I27 PolarHBondContact O-N 2.81Å; C24-A28 WeakPolarHBondContact O-CB 3.4Å; C24-A28 PolarHBondContact O-N 3.18Å
25C94Very high92.9Very high27 Ų2743.9 Ų43.918%0.18224%0.244CC..Hα-helixtrans-62.3-41174.5-73.20000112.1I21 I22 A28 L29 F236 I240I21-C25 WeakPolarHBondContact O-CB 3.43Å; I21-C25 PolarHBondContact O-N 3.45Å; I21-C25 PolarHBondContact O-SG 2.88Å; I21-C25 VanDerWaalsContact O-SG 3.33Å; I22-C25 PolarHBondContact O-N 2.93Å; C25-A28 PolarHBondContact O-N 3.42Å; C25-L29 WeakPolarHBondContact O-CB 3.3Å; C25-L29 PolarHBondContact O-N 2.85Å; C25-F236 HydrophobicContact CB-CZ 4.35Å; C25-I240 HydrophobicContact CB-CD1 3.71Å; C25-I240 HydrophobicContact CB-CG1 3.85Å
26G93.9Very high92Very high0 Ų048.1 Ų48.10%026%0.263CS..Hα-helixtrans-61.9-41.6175.200000112.9I22 G23 T30 G66I22-G26 PolarHBondContact O-N 3.29Å; G23-G26 PolarHBondContact O-N 3.47Å; G26-T30 WeakPolarHBondContact O-CB 3.42Å; G26-T30 PolarHBondContact O-N 3.24Å; G26-T30 PolarHBondContact O-OG1 3.38Å; G26-G66 CarbonylContact C-O 3.33Å; G26-G66 WeakPolarHBondContact CA-O 3.46Å; G26-G66 CarbonylContact O-C 3.56Å; G26-G66 WeakPolarHBondContact O-CA 3.4Å
27I95Very high91.2Very high88 Ų8847.3 Ų47.345%0.45126%0.26SS..Hα-helixtrans-64.4-45173.8-66.3165.7000110.8G23 C24 T30 A31 F70G23-I27 WeakPolarHBondContact O-CG1 3.41Å; G23-I27 PolarHBondContact O-N 3.44Å; C24-I27 PolarHBondContact O-N 2.81Å; I27-T30 PolarHBondContact O-N 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.46Å; I27-A31 PolarHBondContact O-N 3.03Å; I27-F70 HydrophobicContact CD1-CD2 3.63Å; I27-F70 HydrophobicContact CD1-CE2 3.72Å; I27-F70 HydrophobicContact CG1-CD2 3.77Å; I27-F70 HydrophobicContact CG1-CE2 4.32Å; I27-F70 HydrophobicContact CG1-CG 4.25Å
28A93.1Very high90.3Very high46 Ų4644.8 Ų44.838%0.3826%0.258SS..Hα-helixtrans-61.2-45.117900000111.7C24 C25 T30 A31 E32 F236C24-A28 WeakPolarHBondContact O-CB 3.4Å; C24-A28 PolarHBondContact O-N 3.18Å; C25-A28 PolarHBondContact O-N 3.42Å; A28-T30 VanDerWaalsContact C-N 3.35Å; A28-T30 PolarHBondContact O-N 3.28Å; A28-A31 PolarHBondContact O-N 3.1Å; A28-E32 WeakPolarHBondContact O-CB 3.37Å; A28-E32 PolarHBondContact O-N 3.43Å; A28-F236 HydrophobicContact CB-CZ 4.2Å
29L90Very high89.1Confident20 Ų2047.6 Ų47.611%0.10527%0.273CS..Hα-helixtrans-59.1-46.3174.7-178.765.6000111.3C25 A31 E32 C33 L69 F236C25-L29 WeakPolarHBondContact O-CB 3.3Å; C25-L29 PolarHBondContact O-N 2.85Å; L29-A31 VanDerWaalsContact C-N 3.34Å; L29-A31 PolarHBondContact O-N 3.2Å; L29-E32 PolarHBondContact O-N 3.41Å; L29-C33 PolarHBondContact O-N 3Å; L29-C33 PolarHBondContact O-SG 3.16Å; L29-C33 VanDerWaalsContact O-SG 3.33Å; L29-L69 HydrophobicContact CD2-CD1 4.49Å; L29-F236 HydrophobicContact CB-CE1 4.41Å
30T91.8Very high87.2Confident19 Ų1954 Ų5412%0.11730%0.302CS..Hα-helixtrans-59.7-45.7178-53.70000111.2G26 I27 A28 C33 I34 I63 G66 I67G26-T30 WeakPolarHBondContact O-CB 3.42Å; G26-T30 PolarHBondContact O-N 3.24Å; G26-T30 PolarHBondContact O-OG1 3.38Å; I27-T30 PolarHBondContact O-N 3.31Å; A28-T30 VanDerWaalsContact C-N 3.35Å; A28-T30 PolarHBondContact O-N 3.28Å; T30-C33 PolarHBondContact O-N 3.44Å; T30-I34 HydrophobicContact CG2-CD1 3.87Å; T30-I34 WeakPolarHBondContact O-CB 3.43Å; T30-I34 VanDerWaalsContact O-CG1 3.23Å; T30-I34 WeakPolarHBondContact O-CG1 3.27Å; T30-I34 PolarHBondContact O-N 3.37Å; T30-I63 HydrophobicContact CG2-CG2 4.19Å; T30-G66 VanDerWaalsContact OG1-C 3.25Å; T30-G66 WeakPolarHBondContact OG1-CA 3.31Å; T30-I67 HydrophobicContact CG2-CD1 4.48Å; T30-I67 HydrophobicContact CG2-CG1 4.05Å; T30-I67 PolarHBondContact OG1-N 3.06Å
31A91.5Very high85.3Confident56 Ų5656.5 Ų56.546%0.46331%0.31SS..Hα-helixtrans-64.5-41.2179.300000112.2I27 A28 L29 I34 F35I27-A31 WeakPolarHBondContact O-CB 3.46Å; I27-A31 PolarHBondContact O-N 3.03Å; A28-A31 PolarHBondContact O-N 3.1Å; L29-A31 VanDerWaalsContact C-N 3.34Å; L29-A31 PolarHBondContact O-N 3.2Å; A31-I34 PolarHBondContact O-N 2.89Å; A31-F35 WeakPolarHBondContact O-CB 3.34Å; A31-F35 PolarHBondContact O-N 2.98Å
32E86Confident83.8Confident62 Ų6255.7 Ų55.729%0.2931%0.308SS..Hα-helixtrans-63.6-47.9176.5-177171.2-159.300111.3A28 L29 I34 F35 F36 V233A28-E32 WeakPolarHBondContact O-CB 3.37Å; A28-E32 PolarHBondContact O-N 3.43Å; L29-E32 PolarHBondContact O-N 3.41Å; E32-I34 VanDerWaalsContact C-N 3.35Å; E32-I34 PolarHBondContact O-N 3.34Å; E32-F35 WeakPolarHBondContact O-CB 3.05Å; E32-F35 PolarHBondContact O-N 3.48Å; E32-F36 HydrophobicContact CG-CD2 3.82Å; E32-F36 HydrophobicContact CG-CE2 3.6Å; E32-F36 WeakPolarHBondContact O-CD2 3.43Å; E32-F36 PolarHBondContact O-N 3.44Å; E32-V233 VanDerWaalsContact OE1-CG2 3.3Å; E32-V233 WeakPolarHBondContact OE1-CG2 3.37Å
33C84.9Confident82.7Confident18 Ų1857.7 Ų57.712%0.12232%0.319CS..Hα-helixtrans-63.5-39.3177.3-63.90000112.3L29 T30 F35 F36 V37 I63L29-C33 PolarHBondContact O-N 3Å; L29-C33 PolarHBondContact O-SG 3.16Å; L29-C33 VanDerWaalsContact O-SG 3.33Å; T30-C33 PolarHBondContact O-N 3.44Å; C33-F35 VanDerWaalsContact C-N 3.34Å; C33-F36 PolarHBondContact O-N 3.32Å; C33-V37 WeakPolarHBondContact O-CG2 3.26Å; C33-V37 PolarHBondContact O-N 2.91Å; C33-I63 HydrophobicContact CB-CD1 4.34Å; C33-I63 HydrophobicContact CB-CG1 3.48Å; C33-I63 VanDerWaalsContact CB-CG1 3.48Å
34I87.8Confident81.5Confident87 Ų8759.3 Ų59.345%0.44632%0.324SS..Hα-helixtrans-62.1-43.8173.9-71.1168.5000110.6T30 A31 E32 F36 V37 S38 I63T30-I34 HydrophobicContact CG2-CD1 3.87Å; T30-I34 WeakPolarHBondContact O-CB 3.43Å; T30-I34 VanDerWaalsContact O-CG1 3.23Å; T30-I34 WeakPolarHBondContact O-CG1 3.27Å; T30-I34 PolarHBondContact O-N 3.37Å; A31-I34 PolarHBondContact O-N 2.89Å; E32-I34 VanDerWaalsContact C-N 3.35Å; E32-I34 PolarHBondContact O-N 3.34Å; I34-F36 VanDerWaalsContact C-N 3.33Å; I34-F36 PolarHBondContact O-N 2.87Å; I34-V37 PolarHBondContact O-N 2.81Å; I34-S38 VanDerWaalsContact O-CB 3.24Å; I34-S38 WeakPolarHBondContact O-CB 3.38Å; I34-S38 PolarHBondContact O-N 3.47Å; I34-S38 PolarHBondContact O-OG 3.13Å; I34-S38 VanDerWaalsContact O-OG 3.11Å; I34-I63 HydrophobicContact CG1-CD1 3.89Å; I34-I63 HydrophobicContact CG1-CG1 4.14Å
35F84.3Confident80.4Confident130 Ų13056.3 Ų56.357%0.5730%0.304SS*.Hα-helixtrans-57.3-48.1176.6176.6-97.4000110.9A31 E32 C33 V37 S38 D39A31-F35 WeakPolarHBondContact O-CB 3.34Å; A31-F35 PolarHBondContact O-N 2.98Å; E32-F35 WeakPolarHBondContact O-CB 3.05Å; E32-F35 PolarHBondContact O-N 3.48Å; C33-F35 VanDerWaalsContact C-N 3.34Å; F35-V37 PolarHBondContact O-N 3.32Å; F35-S38 WeakPolarHBondContact CA-OG 3.47Å; F35-S38 PolarHBondContact O-N 3.34Å; F35-S38 PolarHBondContact O-OG 3.18Å; F35-D39 PolarHBondContact O-N 3.08Å; F35-D39 VanDerWaalsContact O-N 3.09Å
36F75.9Confident79.5Confident93 Ų9355.1 Ų55.141%0.40830%0.296SS..Hα-helixtrans-60.7-42.4177.3-84.2-68.1000113.6E32 C33 I34 S38 Y44E32-F36 HydrophobicContact CG-CD2 3.82Å; E32-F36 HydrophobicContact CG-CE2 3.6Å; E32-F36 WeakPolarHBondContact O-CD2 3.43Å; E32-F36 PolarHBondContact O-N 3.44Å; C33-F36 PolarHBondContact O-N 3.32Å; I34-F36 VanDerWaalsContact C-N 3.33Å; I34-F36 PolarHBondContact O-N 2.87Å; F36-S38 VanDerWaalsContact C-N 3.33Å; F36-Y44 WeakPolarHBondContact O-CD2 3.39Å
37V77.1Confident78.4Confident28 Ų2857 Ų5717%0.1731%0.306CS..Hα-helixtrans-70-33177.6174.90000111.6C33 I34 F35 Y44 A59 I63C33-V37 WeakPolarHBondContact O-CG2 3.26Å; C33-V37 PolarHBondContact O-N 2.91Å; I34-V37 PolarHBondContact O-N 2.81Å; F35-V37 PolarHBondContact O-N 3.32Å; V37-Y44 HydrophobicContact CB-CE2 4.44Å; V37-Y44 HydrophobicContact CG1-CE2 4.35Å; V37-A59 HydrophobicContact CG2-CB 3.63Å; V37-I63 HydrophobicContact CG2-CD1 4.41Å
38S77.4Confident77.2Confident73 Ų7355.1 Ų55.151%0.5130%0.295SS..Hα-helixtrans-79.2-19.6-177.971.90000114.3I34 F35 F36 Q40I34-S38 VanDerWaalsContact O-CB 3.24Å; I34-S38 WeakPolarHBondContact O-CB 3.38Å; I34-S38 PolarHBondContact O-N 3.47Å; I34-S38 PolarHBondContact O-OG 3.13Å; I34-S38 VanDerWaalsContact O-OG 3.11Å; F35-S38 WeakPolarHBondContact CA-OG 3.47Å; F35-S38 PolarHBondContact O-N 3.34Å; F35-S38 PolarHBondContact O-OG 3.18Å; F36-S38 VanDerWaalsContact C-N 3.33Å; S38-Q40 PolarHBondContact O-N 3.42Å
39D70.1Confident75.8Confident61 Ų6153.1 Ų53.133%0.32628%0.278SS..  trans-78.567.6-178.3-170.822.2000112.3F35 H41 S42 Y44F35-D39 PolarHBondContact O-N 3.08Å; F35-D39 VanDerWaalsContact O-N 3.09Å; D39-H41 PolarHBondContact O-N 3.28Å; D39-H41 VanDerWaalsContact O-N 3.08Å; D39-S42 WeakPolarHBondContact OD2-CB 3.45Å; D39-Y44 WeakPolarHBondContact O-CB 3.25Å
40Q56.9Low74.6Confident134 Ų13452.5 Ų52.563%0.62628%0.275SS*.THydrogen-bonded Turntrans-62.4-14.6-179.8-67.1-175-36.700114S38 P45S38-Q40 PolarHBondContact O-N 3.42Å; Q40-P45 WeakPolarHBondContact O-CG 3.26Å
41H57.1Low72.9Confident116 Ų11657.6 Ų57.654%0.53730%0.302SS..THydrogen-bonded Turntrans-97.7-13.5-169-77.369.2000113.9D39 R152D39-H41 PolarHBondContact O-N 3.28Å; D39-H41 VanDerWaalsContact O-N 3.08Å; H41-R152 PolarHBondContact O-NE 3.37Å; H41-R152 PolarHBondContact O-NH1 2.84Å; H41-R152 VanDerWaalsContact O-NH1 3.17Å
42S65.7Low71.2Confident32 Ų3258.1 Ų58.122%0.22430%0.297CS..THydrogen-bonded Turntrans-103.4-76.8-165.9-138.20000115.6D39 T149 R152D39-S42 WeakPolarHBondContact OD2-CB 3.45Å; S42-T149 WeakPolarHBondContact O-CG2 3.41Å; S42-R152 PolarHBondContact O-NH2 3.34Å; S42-R152 PolarHBondContact OG-NH1 2.95Å; S42-R152 PolarHBondContact OG-NH2 2.94Å
43L71.2Confident69.8Low42 Ų4261 Ų6122%0.2231%0.314CS..THydrogen-bonded Turntrans-130-9.1-179.4-66.5168.3000111.9L46 L47 L153 I222 M226L43-L46 HydrophobicContact CD2-CD1 3.97Å; L43-L46 WeakPolarHBondContact O-CB 3.33Å; L43-L46 PolarHBondContact O-N 2.97Å; L43-L47 PolarHBondContact O-N 3.19Å; L43-L47 VanDerWaalsContact O-N 3.17Å; L43-L153 HydrophobicContact CD2-CD1 4.19Å; L43-L153 HydrophobicContact CD2-CD2 4.39Å; L43-I222 HydrophobicContact CD1-CG2 4.24Å; L43-I222 HydrophobicContact CD2-CG2 3.98Å; L43-M226 HydrophobicContact CD1-CG 3.9Å; L43-M226 HydrophobicContact CD1-SD 3.72Å
44Y71Confident68.6Low37 Ų3764.8 Ų64.815%0.14533%0.333CS..Hα-helixtrans-54.3-44.8-178.8-175.5-89000113.3F36 V37 D39 L46 L47 E48 Y56F36-Y44 WeakPolarHBondContact O-CD2 3.39Å; V37-Y44 HydrophobicContact CB-CE2 4.44Å; V37-Y44 HydrophobicContact CG1-CE2 4.35Å; D39-Y44 WeakPolarHBondContact O-CB 3.25Å; Y44-L46 PolarHBondContact O-N 2.93Å; Y44-L47 PolarHBondContact O-N 3.16Å; Y44-L47 VanDerWaalsContact O-N 3.11Å; Y44-E48 HydrophobicContact CE1-CB 4.38Å; Y44-E48 WeakPolarHBondContact CE1-OE2 3.39Å; Y44-E48 WeakPolarHBondContact O-CB 3.48Å; Y44-E48 PolarHBondContact O-N 3.01Å; Y44-Y56 WeakPolarHBondContact OH-CD2 3.5Å; Y44-Y56 VanDerWaalsContact OH-CE2 3.25Å; Y44-Y56 WeakPolarHBondContact OH-CE2 3.47Å
45P74.3Confident67.5Low14 Ų1462.2 Ų62.29%0.09132%0.32CS..Hα-helixtrans-64.3-26.3177.6-22.235000113.8Q40 A49Q40-P45 WeakPolarHBondContact O-CG 3.26Å; P45-A49 VanDerWaalsContact O-CB 3.24Å; P45-A49 WeakPolarHBondContact O-CB 3.23Å; P45-A49 PolarHBondContact O-N 3.02Å
46L74.3Confident66.5Low1 Ų161 Ų611%0.00531%0.313CS..Hα-helixtrans-73.3-41.9174.5-61.4178.1000110.8L43 Y44 E48 T50 F121 Q124 V146 T149 W150 L153L43-L46 HydrophobicContact CD2-CD1 3.97Å; L43-L46 WeakPolarHBondContact O-CB 3.33Å; L43-L46 PolarHBondContact O-N 2.97Å; Y44-L46 PolarHBondContact O-N 2.93Å; L46-E48 VanDerWaalsContact C-N 3.34Å; L46-T50 PolarHBondContact O-N 2.85Å; L46-T50 VanDerWaalsContact O-N 3.15Å; L46-T50 PolarHBondContact O-OG1 2.69Å; L46-F121 HydrophobicContact CB-CE1 4.29Å; L46-Q124 PolarHBondContact O-NE2 3.49Å; L46-Q124 PolarHBondContact O-OE1 3.44Å; L46-V146 HydrophobicContact CD2-CB 4.38Å; L46-V146 HydrophobicContact CD2-CG1 4Å; L46-V146 HydrophobicContact CD2-CG2 4.33Å; L46-T149 HydrophobicContact CD1-CG2 3.72Å; L46-T149 HydrophobicContact CD2-CG2 4.27Å; L46-T149 HydrophobicContact CG-CG2 3.7Å; L46-W150 HydrophobicContact CD2-CG 4.49Å; L46-L153 HydrophobicContact CD1-CD1 3.92Å
47L70.9Confident66.3Low41 Ų4157.8 Ų57.822%0.21531%0.305CS..Hα-helixtrans-67.4-37.3178.2-62.2173.8000111.7L43 Y44 T50 I55 F116L43-L47 PolarHBondContact O-N 3.19Å; L43-L47 VanDerWaalsContact O-N 3.17Å; Y44-L47 PolarHBondContact O-N 3.16Å; Y44-L47 VanDerWaalsContact O-N 3.11Å; L47-T50 WeakPolarHBondContact O-CB 3.28Å; L47-I55 HydrophobicContact CB-CG2 4.27Å; L47-I55 HydrophobicContact CD1-CG2 4.33Å; L47-I55 HydrophobicContact CD2-CD1 4.06Å; L47-I55 HydrophobicContact CD2-CG2 4.36Å; L47-F116 HydrophobicContact CD2-CE1 4.17Å
48E68.9Low66.2Low48 Ų4859.2 Ų59.222%0.22432%0.32CS..Hα-helixtrans-75-29.7-179.2-178.3171.2-146.400114.3Y44 L46 W141Y44-E48 HydrophobicContact CE1-CB 4.38Å; Y44-E48 WeakPolarHBondContact CE1-OE2 3.39Å; Y44-E48 WeakPolarHBondContact O-CB 3.48Å; Y44-E48 PolarHBondContact O-N 3.01Å; L46-E48 VanDerWaalsContact C-N 3.34Å; E48-W141 HydrophobicContact CG-CH2 3.78Å; E48-W141 HydrophobicContact CG-CZ3 4.29Å; E48-W141 WeakPolarHBondContact OE1-CH2 3.31Å; E48-W141 WeakPolarHBondContact OE2-CH2 3.02Å; E48-W141 VanDerWaalsContact OE2-CZ3 3.27Å; E48-W141 WeakPolarHBondContact OE2-CZ3 3.48Å
49A65.5Low66.3Low3 Ų356.9 Ų56.93%0.02531%0.305CS..Hα-helixtrans-92.8-5.8178.100000113.2P45 D51 Q124 R128 K142 V146P45-A49 VanDerWaalsContact O-CB 3.24Å; P45-A49 WeakPolarHBondContact O-CB 3.23Å; P45-A49 PolarHBondContact O-N 3.02Å; A49-D51 PolarHBondContact O-N 3.23Å; A49-Q124 VanDerWaalsContact CB-NE2 3.35Å; A49-R128 PolarHBondContact O-NE 3.24Å; A49-K142 HydrophobicContact CB-CB 4.18Å; A49-V146 HydrophobicContact CB-CG2 3.27Å
50T64.2Low66.9Low7 Ų759.9 Ų59.94%0.04331%0.312CS..SBendtrans-68.4114.7158.3-600000105.7L46 L47 N52 L120 Q124L46-T50 PolarHBondContact O-N 2.85Å; L46-T50 VanDerWaalsContact O-N 3.15Å; L46-T50 PolarHBondContact O-OG1 2.69Å; L47-T50 WeakPolarHBondContact O-CB 3.28Å; T50-N52 HydrophobicContact CG2-CB 4.05Å; T50-N52 PolarHBondContact O-N 3.26Å; T50-L120 HydrophobicContact CG2-CD1 3.79Å; T50-L120 HydrophobicContact CG2-CD2 3.63Å; T50-L120 HydrophobicContact CG2-CG 3.76Å; T50-Q124 PolarHBondContact OG1-OE1 2.97Å; T50-Q124 VanDerWaalsContact OG1-OE1 3.09Å
51D55.6Low68.3Low126 Ų12658 Ų5867%0.67431%0.305SS*.SBendtrans-64.317.4-175.7-139.930.4000114.2A49 R128A49-D51 PolarHBondContact O-N 3.23Å; D51-R128 IonicContact OD1-NH2 3.89Å
52N55.8Low69.7Low67 Ų6753.1 Ų53.136%0.35829%0.286SS..  trans-96.295.2170.4-67.8-35.7000107.8T50 D54T50-N52 HydrophobicContact CG2-CB 4.05Å; T50-N52 PolarHBondContact O-N 3.26Å; N52-D54 PolarHBondContact O-N 2.92Å
53D57.1Low70.8Confident124 Ų12452.6 Ų52.666%0.66328%0.28SS*.Hα-helixtrans-54.2-11.9173.9-67.5-35.1000113.7I55 G57D53-I55 PolarHBondContact O-N 3.44Å; D53-G57 PolarHBondContact O-N 3.33Å
54D59.9Low71.8Confident96 Ų9657.2 Ų57.251%0.51330%0.299SS..Hα-helixtrans-60.8-40.4-176.3-63.3-27.2000113.7N52 A58 F115N52-D54 PolarHBondContact O-N 2.92Å; D54-A58 WeakPolarHBondContact O-CB 3.11Å; D54-A58 PolarHBondContact O-N 2.89Å; D54-F115 HydrophobicContact CB-CE1 4.43Å
55I63.2Low72.7Confident34 Ų3456 Ų5617%0.17430%0.296CS..Hα-helixtrans-76.4-41.1-176.4-59.7176.5000110.8L47 D53 A58 A59 F115L47-I55 HydrophobicContact CB-CG2 4.27Å; L47-I55 HydrophobicContact CD1-CG2 4.33Å; L47-I55 HydrophobicContact CD2-CD1 4.06Å; L47-I55 HydrophobicContact CD2-CG2 4.36Å; D53-I55 PolarHBondContact O-N 3.44Å; I55-A58 WeakPolarHBondContact O-CB 3.42Å; I55-A58 PolarHBondContact O-N 2.95Å; I55-A59 PolarHBondContact O-N 3.25Å; I55-F115 HydrophobicContact CD1-CB 4.37Å; I55-F115 HydrophobicContact CD1-CD1 4.29Å; I55-F115 HydrophobicContact CG1-CD1 4.23Å
56Y64.8Low73.6Confident105 Ų10555.4 Ų55.441%0.41229%0.291SS..Hα-helixtrans-62.4-45.1173.2175.7-100.8000110.8Y44 A58 A59 W60Y44-Y56 WeakPolarHBondContact OH-CD2 3.5Å; Y44-Y56 VanDerWaalsContact OH-CE2 3.25Å; Y44-Y56 WeakPolarHBondContact OH-CE2 3.47Å; Y56-A58 VanDerWaalsContact C-N 3.31Å; Y56-A58 PolarHBondContact O-N 3.33Å; Y56-A59 PolarHBondContact O-N 3.4Å; Y56-W60 AromaticContact CE1-CD1 3.68Å; Y56-W60 AromaticContact CE1-NE1 3.73Å; Y56-W60 AromaticContact CE2-CD1 3.74Å; Y56-W60 AromaticContact CE2-NE1 3.26Å; Y56-W60 VanDerWaalsContact CE2-NE1 3.26Å; Y56-W60 AromaticContact CZ-CD1 3.49Å; Y56-W60 VanDerWaalsContact CZ-CD1 3.49Å; Y56-W60 AromaticContact CZ-NE1 3.05Å; Y56-W60 PolarHBondContact O-N 3.4Å; Y56-W60 PolarHBondContact OH-NE1 3.2Å
57G70.9Confident74.6Confident24 Ų2459.4 Ų59.425%0.24731%0.312CS..Hα-helixtrans-57.7-42.5173.600000112.3D53 A59 W60 I61D53-G57 PolarHBondContact O-N 3.33Å; G57-A59 PolarHBondContact O-N 3.44Å; G57-W60 PolarHBondContact O-N 2.92Å; G57-I61 WeakPolarHBondContact O-CB 3.49Å; G57-I61 WeakPolarHBondContact O-CD1 3.32Å; G57-I61 WeakPolarHBondContact O-CG1 3.28Å; G57-I61 PolarHBondContact O-N 2.89Å
58A75.5Confident75.8Confident58 Ų5858.8 Ų58.848%0.47931%0.311SS..Hα-helixtrans-60.3-41.5-178.900000113.1D54 I55 Y56 I61 G62D54-A58 WeakPolarHBondContact O-CB 3.11Å; D54-A58 PolarHBondContact O-N 2.89Å; I55-A58 WeakPolarHBondContact O-CB 3.42Å; I55-A58 PolarHBondContact O-N 2.95Å; Y56-A58 VanDerWaalsContact C-N 3.31Å; Y56-A58 PolarHBondContact O-N 3.33Å; A58-I61 PolarHBondContact O-N 2.97Å; A58-G62 PolarHBondContact O-N 3.4Å
59A79.4Confident77Confident24 Ų2456.9 Ų56.920%0.19830%0.302CS..Hα-helixtrans-66.2-42.817900000112.2V37 I55 Y56 G57 G62 I63V37-A59 HydrophobicContact CG2-CB 3.63Å; I55-A59 PolarHBondContact O-N 3.25Å; Y56-A59 PolarHBondContact O-N 3.4Å; G57-A59 PolarHBondContact O-N 3.44Å; A59-G62 PolarHBondContact O-N 3.25Å; A59-I63 WeakPolarHBondContact O-CG1 3.4Å; A59-I63 PolarHBondContact O-N 3.15Å; A59-I63 VanDerWaalsContact O-N 3.08Å
60W83.4Confident78.5Confident125 Ų12560.9 Ų60.947%0.47332%0.319SS..Hα-helixtrans-66.8-39.5175.6-79.8102.6000113Y56 G57 G62 I63 F64Y56-W60 AromaticContact CE1-CD1 3.68Å; Y56-W60 AromaticContact CE1-NE1 3.73Å; Y56-W60 AromaticContact CE2-CD1 3.74Å; Y56-W60 AromaticContact CE2-NE1 3.26Å; Y56-W60 VanDerWaalsContact CE2-NE1 3.26Å; Y56-W60 AromaticContact CZ-CD1 3.49Å; Y56-W60 VanDerWaalsContact CZ-CD1 3.49Å; Y56-W60 AromaticContact CZ-NE1 3.05Å; Y56-W60 PolarHBondContact O-N 3.4Å; Y56-W60 PolarHBondContact OH-NE1 3.2Å; G57-W60 PolarHBondContact O-N 2.92Å; W60-G62 VanDerWaalsContact C-N 3.3Å; W60-G62 PolarHBondContact O-N 3.48Å; W60-I63 HydrophobicContact CE3-CD1 4.3Å; W60-I63 PolarHBondContact O-N 3.01Å; W60-F64 PolarHBondContact O-N 3.47Å
61I84.8Confident80Confident94 Ų9464 Ų6448%0.48234%0.34SS..Hα-helixtrans-60.8-43.5172.9-68.9164.3000109.6G57 A58 I63 F64 V65G57-I61 WeakPolarHBondContact O-CB 3.49Å; G57-I61 WeakPolarHBondContact O-CD1 3.32Å; G57-I61 WeakPolarHBondContact O-CG1 3.28Å; G57-I61 PolarHBondContact O-N 2.89Å; A58-I61 PolarHBondContact O-N 2.97Å; I61-I63 PolarHBondContact O-N 3.48Å; I61-F64 WeakPolarHBondContact O-CB 3.21Å; I61-F64 PolarHBondContact O-N 3.25Å; I61-V65 HydrophobicContact CG2-CG2 4.14Å; I61-V65 VanDerWaalsContact O-CG2 3.31Å; I61-V65 WeakPolarHBondContact O-CG2 3.49Å; I61-V65 PolarHBondContact O-N 3.04Å
62G86.6Confident82Confident13 Ų1358.7 Ų58.713%0.13431%0.312CS..Hα-helixtrans-58.6-43.3176.300000113.4A58 A59 W60 V65 G66A58-G62 PolarHBondContact O-N 3.4Å; A59-G62 PolarHBondContact O-N 3.25Å; W60-G62 VanDerWaalsContact C-N 3.3Å; W60-G62 PolarHBondContact O-N 3.48Å; G62-V65 PolarHBondContact O-N 3.27Å; G62-G66 PolarHBondContact O-N 3Å
63I90.4Very high83.9Confident21 Ų2155.7 Ų55.711%0.10830%0.296CS..Hα-helixtrans-59.1-48.9173.5-66.2172000110.5T30 C33 I34 V37 A59 W60 I61 V65 G66 I67T30-I63 HydrophobicContact CG2-CG2 4.19Å; C33-I63 HydrophobicContact CB-CD1 4.34Å; C33-I63 HydrophobicContact CB-CG1 3.48Å; C33-I63 VanDerWaalsContact CB-CG1 3.48Å; I34-I63 HydrophobicContact CG1-CD1 3.89Å; I34-I63 HydrophobicContact CG1-CG1 4.14Å; V37-I63 HydrophobicContact CG2-CD1 4.41Å; A59-I63 WeakPolarHBondContact O-CG1 3.4Å; A59-I63 PolarHBondContact O-N 3.15Å; A59-I63 VanDerWaalsContact O-N 3.08Å; W60-I63 HydrophobicContact CE3-CD1 4.3Å; W60-I63 PolarHBondContact O-N 3.01Å; I61-I63 PolarHBondContact O-N 3.48Å; I63-V65 PolarHBondContact O-N 3.3Å; I63-G66 PolarHBondContact O-N 3.48Å; I63-I67 HydrophobicContact CG2-CD1 4.04Å; I63-I67 WeakPolarHBondContact O-CG1 3.18Å; I63-I67 PolarHBondContact O-N 2.74Å; I63-I67 VanDerWaalsContact O-N 3.12Å
64F91.3Very high85.8Confident139 Ų13952.9 Ų52.961%0.6128%0.283SS*.Hα-helixtrans-60.4-47-179.9175.9-99.8000111.6W60 I61 I67 C68W60-F64 PolarHBondContact O-N 3.47Å; I61-F64 WeakPolarHBondContact O-CB 3.21Å; I61-F64 PolarHBondContact O-N 3.25Å; F64-I67 PolarHBondContact O-N 2.96Å; F64-C68 VanDerWaalsContact CZ-SG 3.59Å; F64-C68 PolarHBondContact O-N 3.47Å; F64-C68 PolarHBondContact O-SG 2.91Å; F64-C68 VanDerWaalsContact O-SG 3.34Å
65V91Very high87.5Confident13 Ų1350.9 Ų50.98%0.07927%0.272CS..Hα-helixtrans-65.9-40.7-179.5178.80000111.6I61 G62 I63 I67 C68 L69 V98 E102I61-V65 HydrophobicContact CG2-CG2 4.14Å; I61-V65 VanDerWaalsContact O-CG2 3.31Å; I61-V65 WeakPolarHBondContact O-CG2 3.49Å; I61-V65 PolarHBondContact O-N 3.04Å; G62-V65 PolarHBondContact O-N 3.27Å; I63-V65 PolarHBondContact O-N 3.3Å; V65-I67 VanDerWaalsContact C-N 3.33Å; V65-I67 PolarHBondContact O-N 3.32Å; V65-C68 WeakPolarHBondContact O-CB 3.32Å; V65-C68 PolarHBondContact O-N 3.45Å; V65-C68 VanDerWaalsContact O-N 3.14Å; V65-L69 HydrophobicContact CG1-CD1 4.23Å; V65-L69 HydrophobicContact CG1-CG 4.26Å; V65-L69 WeakPolarHBondContact O-CG 3.5Å; V65-L69 PolarHBondContact O-N 3.42Å; V65-V98 HydrophobicContact CG1-CG1 3.83Å; V65-E102 HydrophobicContact CG1-CG 3.95Å; V65-E102 WeakPolarHBondContact CG1-OE1 3.35Å
66G92.7Very high89Confident0 Ų049.3 Ų49.30%026%0.264CS..Hα-helixtrans-58.8-42.9175.500000113G26 T30 G62 I63 L69 F70G26-G66 CarbonylContact C-O 3.33Å; G26-G66 WeakPolarHBondContact CA-O 3.46Å; G26-G66 CarbonylContact O-C 3.56Å; G26-G66 WeakPolarHBondContact O-CA 3.4Å; T30-G66 VanDerWaalsContact OG1-C 3.25Å; T30-G66 WeakPolarHBondContact OG1-CA 3.31Å; G62-G66 PolarHBondContact O-N 3Å; I63-G66 PolarHBondContact O-N 3.48Å; G66-L69 PolarHBondContact O-N 2.98Å; G66-F70 PolarHBondContact O-N 2.84Å; G66-F70 VanDerWaalsContact O-N 3.1Å
67I95.1Very high90.5Very high86 Ų8645.8 Ų45.844%0.44125%0.252SS..Hα-helixtrans-64.8-43.4174.1-66168.9000110.8T30 I63 F64 V65 L69 F70 C71T30-I67 HydrophobicContact CG2-CD1 4.48Å; T30-I67 HydrophobicContact CG2-CG1 4.05Å; T30-I67 PolarHBondContact OG1-N 3.06Å; I63-I67 HydrophobicContact CG2-CD1 4.04Å; I63-I67 WeakPolarHBondContact O-CG1 3.18Å; I63-I67 PolarHBondContact O-N 2.74Å; I63-I67 VanDerWaalsContact O-N 3.12Å; F64-I67 PolarHBondContact O-N 2.96Å; V65-I67 VanDerWaalsContact C-N 3.33Å; V65-I67 PolarHBondContact O-N 3.32Å; I67-L69 PolarHBondContact O-N 3.31Å; I67-F70 PolarHBondContact O-N 3.47Å; I67-C71 PolarHBondContact O-N 2.85Å; I67-C71 PolarHBondContact O-SG 3.42Å
68C94.9Very high91.7Very high28 Ų2847.1 Ų47.119%0.18926%0.255CS..Hα-helixtrans-59.3-45.8175.9-73.20000112F64 V65 F70 C71 L72 V98F64-C68 VanDerWaalsContact CZ-SG 3.59Å; F64-C68 PolarHBondContact O-N 3.47Å; F64-C68 PolarHBondContact O-SG 2.91Å; F64-C68 VanDerWaalsContact O-SG 3.34Å; V65-C68 WeakPolarHBondContact O-CB 3.32Å; V65-C68 PolarHBondContact O-N 3.45Å; V65-C68 VanDerWaalsContact O-N 3.14Å; C68-F70 VanDerWaalsContact C-N 3.31Å; C68-F70 PolarHBondContact O-N 3.45Å; C68-C71 PolarHBondContact O-N 3.29Å; C68-L72 WeakPolarHBondContact O-CB 3.43Å; C68-L72 WeakPolarHBondContact O-CG 3.36Å; C68-L72 PolarHBondContact O-N 3.3Å; C68-V98 HydrophobicContact CB-CG2 4.2Å
69L94.5Very high92.5Very high7 Ų744.3 Ų44.34%0.03723%0.232CC..Hα-helixtrans-59.2-42.1176.9-73.1173.9000111.6I22 L29 V65 G66 I67 S73 M95 V98I22-L69 HydrophobicContact CG2-CB 4.48Å; I22-L69 HydrophobicContact CG2-CD2 4.24Å; L29-L69 HydrophobicContact CD2-CD1 4.49Å; V65-L69 HydrophobicContact CG1-CD1 4.23Å; V65-L69 HydrophobicContact CG1-CG 4.26Å; V65-L69 WeakPolarHBondContact O-CG 3.5Å; V65-L69 PolarHBondContact O-N 3.42Å; G66-L69 PolarHBondContact O-N 2.98Å; I67-L69 PolarHBondContact O-N 3.31Å; L69-S73 WeakPolarHBondContact O-CB 3.45Å; L69-S73 PolarHBondContact O-N 3.22Å; L69-M95 HydrophobicContact CD2-CE 4.09Å; L69-M95 HydrophobicContact CD2-SD 4.31Å; L69-V98 HydrophobicContact CD2-CG1 3.8Å; L69-V98 HydrophobicContact CG-CG1 4.21Å
70F96.6Very high93.2Very high88 Ų8843.2 Ų43.239%0.38622%0.223SC..Hα-helixtrans-61.3-51.9174.5176.1-104.5000111.8I27 G66 I67 C68 L72 S73 V74I27-F70 HydrophobicContact CD1-CD2 3.63Å; I27-F70 HydrophobicContact CD1-CE2 3.72Å; I27-F70 HydrophobicContact CG1-CD2 3.77Å; I27-F70 HydrophobicContact CG1-CE2 4.32Å; I27-F70 HydrophobicContact CG1-CG 4.25Å; G66-F70 PolarHBondContact O-N 2.84Å; G66-F70 VanDerWaalsContact O-N 3.1Å; I67-F70 PolarHBondContact O-N 3.47Å; C68-F70 VanDerWaalsContact C-N 3.31Å; C68-F70 PolarHBondContact O-N 3.45Å; F70-L72 VanDerWaalsContact C-N 3.33Å; F70-L72 PolarHBondContact O-N 2.92Å; F70-S73 PolarHBondContact O-N 3.35Å; F70-S73 PolarHBondContact O-OG 2.93Å; F70-V74 HydrophobicContact CE1-CG2 4.47Å; F70-V74 HydrophobicContact CE2-CG2 4.38Å; F70-V74 HydrophobicContact CZ-CG2 4.2Å; F70-V74 PolarHBondContact O-N 3.41Å
71C96.9Very high93.5Very high72 Ų7243.4 Ų43.449%0.48623%0.231SC..Hα-helixtrans-59.9-41.8179-71.20000112.5I67 C68 V74 L75I67-C71 PolarHBondContact O-N 2.85Å; I67-C71 PolarHBondContact O-SG 3.42Å; C68-C71 PolarHBondContact O-N 3.29Å; C71-V74 PolarHBondContact O-N 3.26Å; C71-L75 PolarHBondContact O-N 3.46Å
72L96.4Very high93.8Very high14 Ų1446 Ų467%0.07324%0.239CC..Hα-helixtrans-68.8-34.9178.3-68.4174.9000112.2C68 F70 V74 L75 G76 Y91 L94 M95 V98C68-L72 WeakPolarHBondContact O-CB 3.43Å; C68-L72 WeakPolarHBondContact O-CG 3.36Å; C68-L72 PolarHBondContact O-N 3.3Å; F70-L72 VanDerWaalsContact C-N 3.33Å; F70-L72 PolarHBondContact O-N 2.92Å; L72-V74 VanDerWaalsContact C-N 3.33Å; L72-V74 PolarHBondContact O-N 2.91Å; L72-L75 HydrophobicContact CD2-CD2 4.27Å; L72-L75 PolarHBondContact O-N 3.01Å; L72-G76 PolarHBondContact O-N 2.96Å; L72-Y91 VanDerWaalsContact O-CD2 3.28Å; L72-Y91 WeakPolarHBondContact O-CD2 3.41Å; L72-Y91 WeakPolarHBondContact O-CE2 3.45Å; L72-L94 HydrophobicContact CD1-CB 4.32Å; L72-L94 HydrophobicContact CD2-CB 3.43Å; L72-L94 VanDerWaalsContact CD2-CB 3.43Å; L72-L94 HydrophobicContact CD2-CD1 3.88Å; L72-L94 HydrophobicContact CD2-CG 4.31Å; L72-M95 HydrophobicContact CB-SD 3.87Å; L72-M95 HydrophobicContact CD1-CB 4.49Å; L72-M95 HydrophobicContact CD1-SD 3.72Å; L72-M95 HydrophobicContact CG-SD 4.43Å; L72-V98 HydrophobicContact CD1-CB 4.24Å; L72-V98 HydrophobicContact CD1-CG2 3.7Å
73S96.6Very high93.9Very high4 Ų447.7 Ų47.73%0.02825%0.249CC..Hα-helixtrans-61-42.9173.776.40000111.9N19 G23 L69 F70 G76 I77N19-S73 VanDerWaalsContact O-CB 3.25Å; N19-S73 WeakPolarHBondContact O-CB 3.47Å; G23-S73 VanDerWaalsContact CA-OG 3.23Å; G23-S73 WeakPolarHBondContact CA-OG 3.44Å; L69-S73 WeakPolarHBondContact O-CB 3.45Å; L69-S73 PolarHBondContact O-N 3.22Å; F70-S73 PolarHBondContact O-N 3.35Å; F70-S73 PolarHBondContact O-OG 2.93Å; S73-G76 PolarHBondContact O-N 3.37Å; S73-I77 VanDerWaalsContact O-CG1 3.26Å; S73-I77 WeakPolarHBondContact O-CG1 3.23Å; S73-I77 PolarHBondContact O-N 3.45Å
74V96.5Very high93.8Very high66 Ų6648.4 Ų48.440%0.426%0.255SS..Hα-helixtrans-65-44.3176.31760000110.5F70 C71 L72 G76 I77 V78F70-V74 HydrophobicContact CE1-CG2 4.47Å; F70-V74 HydrophobicContact CE2-CG2 4.38Å; F70-V74 HydrophobicContact CZ-CG2 4.2Å; F70-V74 PolarHBondContact O-N 3.41Å; C71-V74 PolarHBondContact O-N 3.26Å; L72-V74 VanDerWaalsContact C-N 3.33Å; L72-V74 PolarHBondContact O-N 2.91Å; V74-G76 VanDerWaalsContact C-N 3.31Å; V74-G76 PolarHBondContact O-N 3.47Å; V74-I77 PolarHBondContact O-N 2.83Å; V74-V78 HydrophobicContact CG1-CG2 4.39Å; V74-V78 WeakPolarHBondContact O-CB 3.47Å; V74-V78 VanDerWaalsContact O-CG2 3.31Å; V74-V78 WeakPolarHBondContact O-CG2 3.37Å; V74-V78 PolarHBondContact O-N 3.32Å
75L96.1Very high93.7Very high54 Ų5444.7 Ų44.728%0.28324%0.237SC..Hα-helixtrans-59-42.8175.7-171.182.7000111.5C71 L72 V78 G79 I87 L94C71-L75 PolarHBondContact O-N 3.46Å; L72-L75 HydrophobicContact CD2-CD2 4.27Å; L72-L75 PolarHBondContact O-N 3.01Å; L75-V78 PolarHBondContact O-N 3.2Å; L75-G79 PolarHBondContact O-N 3.5Å; L75-I87 HydrophobicContact CD1-CG2 4.03Å; L75-I87 HydrophobicContact CG-CG2 4.15Å; L75-L94 HydrophobicContact CD2-CD1 4.37Å
76G95.1Very high93.7Very high0 Ų052.6 Ų52.60%027%0.27CS..Hα-helixtrans-61.1-48.717600000112.1L72 S73 V74 V78 G79 I80L72-G76 PolarHBondContact O-N 2.96Å; S73-G76 PolarHBondContact O-N 3.37Å; V74-G76 VanDerWaalsContact C-N 3.31Å; V74-G76 PolarHBondContact O-N 3.47Å; G76-V78 PolarHBondContact O-N 2.87Å; G76-G79 PolarHBondContact O-N 3.46Å; G76-I80 WeakPolarHBondContact O-CD1 3.35Å; G76-I80 VanDerWaalsContact O-CG1 3.27Å; G76-I80 WeakPolarHBondContact O-CG1 3.45Å; G76-I80 PolarHBondContact O-N 3.5Å
77I96Very high93.8Very high32 Ų3254.6 Ų54.616%0.16428%0.281CS..Hα-helixtrans-58.3-49.4176.4-66.7164.3000110.7I16 N19 V20 S73 V74 G79 I80 M81I16-I77 HydrophobicContact CG1-CG2 4.43Å; I16-I77 HydrophobicContact CG2-CG1 4.29Å; I16-I77 HydrophobicContact CG2-CG2 4.17Å; N19-I77 HydrophobicContact CB-CD1 4.18Å; N19-I77 HydrophobicContact CB-CG1 3.66Å; V20-I77 HydrophobicContact CG2-CD1 3.77Å; S73-I77 VanDerWaalsContact O-CG1 3.26Å; S73-I77 WeakPolarHBondContact O-CG1 3.23Å; S73-I77 PolarHBondContact O-N 3.45Å; V74-I77 PolarHBondContact O-N 2.83Å; I77-G79 VanDerWaalsContact C-N 3.32Å; I77-G79 PolarHBondContact O-N 3.41Å; I77-I80 PolarHBondContact O-N 3.47Å; I77-M81 HydrophobicContact CG2-CG 4.32Å; I77-M81 HydrophobicContact CG2-SD 3.81Å; I77-M81 WeakPolarHBondContact O-CB 3.31Å; I77-M81 VanDerWaalsContact O-CG 3.3Å; I77-M81 WeakPolarHBondContact O-CG 2.95Å; I77-M81 PolarHBondContact O-N 3.44Å
78V95.3Very high93.6Very high51 Ų5150.5 Ų50.531%0.30926%0.26SS..Hα-helixtrans-62.6-39.8178.5172.60000111.4V74 L75 G76 M81 K82 I87V74-V78 HydrophobicContact CG1-CG2 4.39Å; V74-V78 WeakPolarHBondContact O-CB 3.47Å; V74-V78 VanDerWaalsContact O-CG2 3.31Å; V74-V78 WeakPolarHBondContact O-CG2 3.37Å; V74-V78 PolarHBondContact O-N 3.32Å; L75-V78 PolarHBondContact O-N 3.2Å; G76-V78 PolarHBondContact O-N 2.87Å; V78-M81 PolarHBondContact O-N 3.11Å; V78-K82 HydrophobicContact CG1-CD 4.01Å; V78-K82 HydrophobicContact CG1-CG 4.44Å; V78-K82 WeakPolarHBondContact O-CB 3.49Å; V78-K82 PolarHBondContact O-N 3.26Å; V78-I87 HydrophobicContact CG1-CD1 4.44Å
79G92.9Very high93.5Very high0 Ų053.1 Ų53.10%027%0.272CS..Hα-helixtrans-61.5-42.7176.600000112.7L75 G76 I77 S83 S84L75-G79 PolarHBondContact O-N 3.5Å; G76-G79 PolarHBondContact O-N 3.46Å; I77-G79 VanDerWaalsContact C-N 3.32Å; I77-G79 PolarHBondContact O-N 3.41Å; G79-S83 PolarHBondContact O-N 3.45Å; G79-S83 VanDerWaalsContact O-N 3.16Å; G79-S84 PolarHBondContact O-N 2.83Å
80I93.4Very high93.6Very high0 Ų054.8 Ų54.80%029%0.286CS..Hα-helixtrans-68.1-48.3176.7-64.1158.2000110.6Q12 L15 I16 G76 I77 K82 S83 L88 Y254Q12-I80 HydrophobicContact CB-CG2 3.89Å; Q12-I80 HydrophobicContact CG-CG2 3.96Å; L15-I80 HydrophobicContact CB-CD1 3.57Å; L15-I80 HydrophobicContact CB-CG1 4.48Å; I16-I80 HydrophobicContact CD1-CG2 4.16Å; I16-I80 HydrophobicContact CG1-CB 4.28Å; I16-I80 HydrophobicContact CG1-CD1 4.37Å; I16-I80 HydrophobicContact CG1-CG2 3.96Å; G76-I80 WeakPolarHBondContact O-CD1 3.35Å; G76-I80 VanDerWaalsContact O-CG1 3.27Å; G76-I80 WeakPolarHBondContact O-CG1 3.45Å; G76-I80 PolarHBondContact O-N 3.5Å; I77-I80 PolarHBondContact O-N 3.47Å; I80-K82 PolarHBondContact O-N 3.08Å; I80-S83 PolarHBondContact O-N 3.45Å; I80-S83 VanDerWaalsContact O-N 3.13Å; I80-L88 HydrophobicContact CG1-CD2 4.09Å; I80-Y254 HydrophobicContact CG2-CE1 4.32Å
81M91.4Very high93.5Very high129 Ų12950.6 Ų50.664%0.63527%0.268SS*.Hα-helixtrans-62.6-39.4-178.2-73.2179.670.900113I16 I77 V78 S83I16-M81 HydrophobicContact CD1-CG 3.92Å; I77-M81 HydrophobicContact CG2-CG 4.32Å; I77-M81 HydrophobicContact CG2-SD 3.81Å; I77-M81 WeakPolarHBondContact O-CB 3.31Å; I77-M81 VanDerWaalsContact O-CG 3.3Å; I77-M81 WeakPolarHBondContact O-CG 2.95Å; I77-M81 PolarHBondContact O-N 3.44Å; V78-M81 PolarHBondContact O-N 3.11Å; M81-S83 VanDerWaalsContact C-N 3.3Å
82K89.9Confident93.4Very high149 Ų14948.3 Ų48.365%0.64825%0.25SC*.THydrogen-bonded Turntrans-85.3-2.9178.1-69.8-173.5174.1-179.20113.2V78 I80 S84 I87V78-K82 HydrophobicContact CG1-CD 4.01Å; V78-K82 HydrophobicContact CG1-CG 4.44Å; V78-K82 WeakPolarHBondContact O-CB 3.49Å; V78-K82 PolarHBondContact O-N 3.26Å; I80-K82 PolarHBondContact O-N 3.08Å; K82-S84 PolarHBondContact O-N 3.46Å; K82-I87 HydrophobicContact CD-CD1 4.27Å
83S88.4Confident93.3Very high49 Ų4952.2 Ų52.234%0.34327%0.27SS..THydrogen-bonded Turntrans45.735.2-172-600000113G79 I80 M81 Y254G79-S83 PolarHBondContact O-N 3.45Å; G79-S83 VanDerWaalsContact O-N 3.16Å; I80-S83 PolarHBondContact O-N 3.45Å; I80-S83 VanDerWaalsContact O-N 3.13Å; M81-S83 VanDerWaalsContact C-N 3.3Å; S83-Y254 PolarHBondContact OG-OH 2.93Å
84S89.3Confident93.3Very high36 Ų3656 Ų5625%0.25229%0.289SS..  trans-94.3111.5-170.8-176.90000110.9G79 K82 K86 I87 L88G79-S84 PolarHBondContact O-N 2.83Å; K82-S84 PolarHBondContact O-N 3.46Å; S84-K86 VanDerWaalsContact C-N 3.25Å; S84-K86 PolarHBondContact O-N 3.07Å; S84-I87 PolarHBondContact O-N 3.39Å; S84-L88 PolarHBondContact O-N 2.97Å
85R88.5Confident93.2Very high61 Ų6153 Ų5323%0.2327%0.271CS..Hα-helixtrans-58.3-34.9-179.9-65.3-176.3109.115510113.4L89 W255 I258R85-L89 VanDerWaalsContact O-CB 3.26Å; R85-L89 WeakPolarHBondContact O-CB 3.5Å; R85-L89 PolarHBondContact O-N 3.3Å; R85-W255 PolarHBondContact NH2-O 3.41Å; R85-W255 PolarHBondContact O-NE1 2.69Å; R85-I258 HydrophobicContact CG-CB 4.08Å; R85-I258 HydrophobicContact CG-CD1 4.35Å; R85-I258 HydrophobicContact CG-CG2 3.74Å; R85-I258 PolarHBondContact NE-O 3.31Å; R85-I258 PolarHBondContact NH1-O 3.05Å; R85-I258 PolarHBondContact NH2-O 3.16Å
86K92Very high93Very high178 Ų17857.2 Ų57.277%0.77429%0.287SS*.Hα-helixtrans-68.2-43.5179.7-63.7-174.7-175.2179.50111.8S84 L89 A90S84-K86 VanDerWaalsContact C-N 3.25Å; S84-K86 PolarHBondContact O-N 3.07Å; K86-L89 PolarHBondContact O-N 2.93Å; K86-A90 PolarHBondContact O-N 3.35Å; K86-A90 VanDerWaalsContact O-N 3.07Å
87I93.3Very high93Very high42 Ų4261.1 Ų61.122%0.21531%0.307CS..Hα-helixtrans-68.1-44.3178.8-60.6177.9000110L75 V78 K82 S84 L89 A90 Y91L75-I87 HydrophobicContact CD1-CG2 4.03Å; L75-I87 HydrophobicContact CG-CG2 4.15Å; V78-I87 HydrophobicContact CG1-CD1 4.44Å; K82-I87 HydrophobicContact CD-CD1 4.27Å; S84-I87 PolarHBondContact O-N 3.39Å; I87-L89 VanDerWaalsContact C-N 3.33Å; I87-L89 PolarHBondContact O-N 3.06Å; I87-A90 PolarHBondContact O-N 3.37Å; I87-Y91 WeakPolarHBondContact O-CB 3.19Å; I87-Y91 PolarHBondContact O-N 3.49Å
88L92.8Very high92.8Very high0 Ų060.5 Ų60.50%031%0.305CS..Hα-helixtrans-62.7-38.5176.2-73.4172.3000112.4I80 S84 Y91 F92 T251 Y254 I258I80-L88 HydrophobicContact CG1-CD2 4.09Å; S84-L88 PolarHBondContact O-N 2.97Å; L88-Y91 WeakPolarHBondContact O-CB 3.29Å; L88-Y91 PolarHBondContact O-N 3.28Å; L88-F92 HydrophobicContact CB-CE2 4.31Å; L88-F92 WeakPolarHBondContact O-CD2 3.43Å; L88-F92 WeakPolarHBondContact O-CG 3.39Å; L88-F92 PolarHBondContact O-N 2.87Å; L88-T251 HydrophobicContact CD2-CG2 3.83Å; L88-Y254 HydrophobicContact CD1-CD1 4.05Å; L88-Y254 HydrophobicContact CD1-CE1 4.04Å; L88-I258 HydrophobicContact CD1-CD1 3.54Å
89L92.7Very high92.7Very high84 Ų8460.8 Ų60.844%0.4430%0.301SS..Hα-helixtrans-63.3-45.3174.9-176.166.8000111.7R85 K86 I87 Y91 F92 I93R85-L89 VanDerWaalsContact O-CB 3.26Å; R85-L89 WeakPolarHBondContact O-CB 3.5Å; R85-L89 PolarHBondContact O-N 3.3Å; K86-L89 PolarHBondContact O-N 2.93Å; I87-L89 VanDerWaalsContact C-N 3.33Å; I87-L89 PolarHBondContact O-N 3.06Å; L89-Y91 VanDerWaalsContact C-N 3.31Å; L89-Y91 PolarHBondContact O-N 3.04Å; L89-F92 PolarHBondContact O-N 3.28Å; L89-I93 HydrophobicContact CD1-CD1 4.42Å; L89-I93 HydrophobicContact CG-CD1 4.14Å; L89-I93 WeakPolarHBondContact O-CG1 3.4Å; L89-I93 PolarHBondContact O-N 3.45Å; L89-I93 VanDerWaalsContact O-N 3.11Å
90A94.7Very high92.6Very high42 Ų4263.2 Ų63.235%0.34732%0.32SS..Hα-helixtrans-60.8-42175.300000111.5K86 I87 I93 L94K86-A90 PolarHBondContact O-N 3.35Å; K86-A90 VanDerWaalsContact O-N 3.07Å; I87-A90 PolarHBondContact O-N 3.37Å; A90-I93 PolarHBondContact O-N 2.93Å; A90-L94 WeakPolarHBondContact O-CB 3.21Å; A90-L94 WeakPolarHBondContact O-CG 3.34Å; A90-L94 PolarHBondContact O-N 2.99Å; A90-L94 VanDerWaalsContact O-N 3.08Å
91Y95.6Very high92.4Very high0 Ų069.8 Ų69.80%035%0.349CS..Hα-helixtrans-56.6-49.1173.2164.8-98.4000112N19 L72 I87 L88 L89 I93 L94 M95 L248 T251N19-Y91 PolarHBondContact OD1-OH 2.8Å; L72-Y91 VanDerWaalsContact O-CD2 3.28Å; L72-Y91 WeakPolarHBondContact O-CD2 3.41Å; L72-Y91 WeakPolarHBondContact O-CE2 3.45Å; I87-Y91 WeakPolarHBondContact O-CB 3.19Å; I87-Y91 PolarHBondContact O-N 3.49Å; L88-Y91 WeakPolarHBondContact O-CB 3.29Å; L88-Y91 PolarHBondContact O-N 3.28Å; L89-Y91 VanDerWaalsContact C-N 3.31Å; L89-Y91 PolarHBondContact O-N 3.04Å; Y91-I93 PolarHBondContact O-N 3.04Å; Y91-L94 PolarHBondContact O-N 3.47Å; Y91-M95 HydrophobicContact CE2-CB 4.37Å; Y91-M95 HydrophobicContact CE2-CG 4.36Å; Y91-M95 HydrophobicContact CE2-SD 4.43Å; Y91-M95 WeakPolarHBondContact O-CB 3.22Å; Y91-M95 PolarHBondContact O-N 3.39Å; Y91-L248 HydrophobicContact CE1-CD2 3.77Å; Y91-T251 HydrophobicContact CD1-CG2 4.38Å; Y91-T251 HydrophobicContact CE1-CG2 4.06Å
92F93.9Very high92.2Very high24 Ų2465.1 Ų65.111%0.10533%0.326CS..Hα-helixtrans-60.9-46.6179.6-67.3-49.9000113L88 L89 L94 M95 F96 L248 T251 M252 W255L88-F92 HydrophobicContact CB-CE2 4.31Å; L88-F92 WeakPolarHBondContact O-CD2 3.43Å; L88-F92 WeakPolarHBondContact O-CG 3.39Å; L88-F92 PolarHBondContact O-N 2.87Å; L89-F92 PolarHBondContact O-N 3.28Å; F92-L94 PolarHBondContact O-N 3.14Å; F92-M95 PolarHBondContact O-N 2.91Å; F92-F96 WeakPolarHBondContact O-CB 3.47Å; F92-F96 PolarHBondContact O-N 2.91Å; F92-L248 HydrophobicContact CD1-CD2 3.88Å; F92-L248 HydrophobicContact CE1-CD2 4.28Å; F92-T251 HydrophobicContact CE1-CG2 3.66Å; F92-T251 VanDerWaalsContact CZ-C 3.44Å; F92-T251 HydrophobicContact CZ-CG2 3.55Å; F92-T251 WeakPolarHBondContact CZ-O 3.36Å; F92-M252 HydrophobicContact CD1-CG 3.96Å; F92-M252 HydrophobicContact CE1-CB 4.39Å; F92-M252 HydrophobicContact CE1-CG 3.52Å; F92-M252 HydrophobicContact CE2-CG 4.32Å; F92-M252 HydrophobicContact CZ-CB 4.26Å; F92-M252 HydrophobicContact CZ-CG 3.74Å; F92-W255 HydrophobicContact CE2-CB 3.75Å; F92-W255 HydrophobicContact CE2-CD2 4.41Å; F92-W255 AromaticContact CE2-CG 3.8Å; F92-W255 HydrophobicContact CE2-CG 3.8Å; F92-W255 HydrophobicContact CZ-CB 4.06Å
93I95.1Very high92.2Very high96 Ų9660.3 Ų60.349%0.49231%0.309SS..Hα-helixtrans-61.1-50.2-177.6-66.3167.8000109.7L89 A90 Y91 F96 I97L89-I93 HydrophobicContact CD1-CD1 4.42Å; L89-I93 HydrophobicContact CG-CD1 4.14Å; L89-I93 WeakPolarHBondContact O-CG1 3.4Å; L89-I93 PolarHBondContact O-N 3.45Å; L89-I93 VanDerWaalsContact O-N 3.11Å; A90-I93 PolarHBondContact O-N 2.93Å; Y91-I93 PolarHBondContact O-N 3.04Å; I93-F96 PolarHBondContact O-N 3.44Å; I93-I97 HydrophobicContact CG2-CD1 4.22Å; I93-I97 VanDerWaalsContact O-CG1 3.31Å; I93-I97 WeakPolarHBondContact O-CG1 3.48Å; I93-I97 PolarHBondContact O-N 3.28Å
94L95.6Very high92.2Very high84 Ų8460.2 Ų60.244%0.4431%0.311SS..Hα-helixtrans-67.9-40.6-178.7-64.4172.4000112.2L72 L75 A90 Y91 F92 F96 I97 V98L72-L94 HydrophobicContact CD1-CB 4.32Å; L72-L94 HydrophobicContact CD2-CB 3.43Å; L72-L94 VanDerWaalsContact CD2-CB 3.43Å; L72-L94 HydrophobicContact CD2-CD1 3.88Å; L72-L94 HydrophobicContact CD2-CG 4.31Å; L75-L94 HydrophobicContact CD2-CD1 4.37Å; A90-L94 WeakPolarHBondContact O-CB 3.21Å; A90-L94 WeakPolarHBondContact O-CG 3.34Å; A90-L94 PolarHBondContact O-N 2.99Å; A90-L94 VanDerWaalsContact O-N 3.08Å; Y91-L94 PolarHBondContact O-N 3.47Å; F92-L94 PolarHBondContact O-N 3.14Å; L94-F96 VanDerWaalsContact C-N 3.34Å; L94-F96 PolarHBondContact O-N 2.88Å; L94-I97 PolarHBondContact O-N 3.1Å; L94-V98 PolarHBondContact O-N 3.41Å; L94-V98 VanDerWaalsContact O-N 3.1Å
95M94.7Very high91.9Very high1 Ų161.1 Ų61.11%0.00532%0.318CS..Hα-helixtrans-67.3-36.1178.8-162.967.5156.800112I22 L69 L72 Y91 F92 I97 V98 Y99 T244 L248I22-M95 HydrophobicContact CD1-CE 4.04Å; I22-M95 HydrophobicContact CG2-CE 3.78Å; L69-M95 HydrophobicContact CD2-CE 4.09Å; L69-M95 HydrophobicContact CD2-SD 4.31Å; L72-M95 HydrophobicContact CB-SD 3.87Å; L72-M95 HydrophobicContact CD1-CB 4.49Å; L72-M95 HydrophobicContact CD1-SD 3.72Å; L72-M95 HydrophobicContact CG-SD 4.43Å; Y91-M95 HydrophobicContact CE2-CB 4.37Å; Y91-M95 HydrophobicContact CE2-CG 4.36Å; Y91-M95 HydrophobicContact CE2-SD 4.43Å; Y91-M95 WeakPolarHBondContact O-CB 3.22Å; Y91-M95 PolarHBondContact O-N 3.39Å; F92-M95 PolarHBondContact O-N 2.91Å; M95-I97 VanDerWaalsContact C-N 3.34Å; M95-V98 PolarHBondContact O-N 2.95Å; M95-Y99 WeakPolarHBondContact O-CB 3.47Å; M95-Y99 PolarHBondContact O-N 2.89Å; M95-T244 HydrophobicContact CE-CG2 3.6Å; M95-T244 HydrophobicContact CG-CG2 4.45Å; M95-L248 HydrophobicContact CB-CD2 4.03Å; M95-L248 HydrophobicContact CG-CD1 4.02Å; M95-L248 HydrophobicContact CG-CD2 3.81Å; M95-L248 HydrophobicContact CG-CG 4.25Å
96F93.3Very high91.5Very high143 Ų14360.1 Ų60.163%0.62732%0.32SS*.Hα-helixtrans-66.5-37.7176.1-163.9-97000111.9F92 I93 L94 Y99 A100F92-F96 WeakPolarHBondContact O-CB 3.47Å; F92-F96 PolarHBondContact O-N 2.91Å; I93-F96 PolarHBondContact O-N 3.44Å; L94-F96 VanDerWaalsContact C-N 3.34Å; L94-F96 PolarHBondContact O-N 2.88Å; F96-Y99 PolarHBondContact O-N 3.36Å; F96-A100 WeakPolarHBondContact O-CB 3.49Å; F96-A100 PolarHBondContact O-N 3.02Å
97I93.8Very high91.1Very high83 Ų8356.4 Ų56.443%0.42631%0.307SS..Hα-helixtrans-61.3-51.5173.9-67.3164.7000110.1I93 L94 M95 Y99 A100 F101I93-I97 HydrophobicContact CG2-CD1 4.22Å; I93-I97 VanDerWaalsContact O-CG1 3.31Å; I93-I97 WeakPolarHBondContact O-CG1 3.48Å; I93-I97 PolarHBondContact O-N 3.28Å; L94-I97 PolarHBondContact O-N 3.1Å; M95-I97 VanDerWaalsContact C-N 3.34Å; I97-Y99 VanDerWaalsContact C-N 3.34Å; I97-Y99 PolarHBondContact O-N 3.18Å; I97-A100 PolarHBondContact O-N 3.36Å; I97-F101 HydrophobicContact CG2-CD2 3.83Å; I97-F101 HydrophobicContact CG2-CE2 3.63Å; I97-F101 VanDerWaalsContact O-CD2 3.22Å; I97-F101 WeakPolarHBondContact O-CD2 3.3Å; I97-F101 PolarHBondContact O-N 2.83Å; I97-F101 VanDerWaalsContact O-N 3.1Å
98V92.8Very high90.5Very high18 Ų1857.4 Ų57.411%0.10932%0.315CS..Hα-helixtrans-62.3-42.5178.9174.20000111.4V65 C68 L69 L72 L94 M95 A100 F101 E102V65-V98 HydrophobicContact CG1-CG1 3.83Å; C68-V98 HydrophobicContact CB-CG2 4.2Å; L69-V98 HydrophobicContact CD2-CG1 3.8Å; L69-V98 HydrophobicContact CG-CG1 4.21Å; L72-V98 HydrophobicContact CD1-CB 4.24Å; L72-V98 HydrophobicContact CD1-CG2 3.7Å; L94-V98 PolarHBondContact O-N 3.41Å; L94-V98 VanDerWaalsContact O-N 3.1Å; M95-V98 PolarHBondContact O-N 2.95Å; V98-A100 VanDerWaalsContact C-N 3.33Å; V98-A100 PolarHBondContact O-N 3.26Å; V98-F101 PolarHBondContact O-N 2.85Å; V98-E102 HydrophobicContact CG1-CG 4.4Å; V98-E102 WeakPolarHBondContact O-CB 3.45Å; V98-E102 WeakPolarHBondContact O-CG 3.1Å; V98-E102 PolarHBondContact O-N 3.33Å
99Y91.7Very high89.6Confident58 Ų5860.1 Ų60.123%0.22734%0.338CS..Hα-helixtrans-59.9-42.1176.7-177.4-90.6000112.2M95 F96 I97 E102 V103 L241 T244 F245M95-Y99 WeakPolarHBondContact O-CB 3.47Å; M95-Y99 PolarHBondContact O-N 2.89Å; F96-Y99 PolarHBondContact O-N 3.36Å; I97-Y99 VanDerWaalsContact C-N 3.34Å; I97-Y99 PolarHBondContact O-N 3.18Å; Y99-E102 PolarHBondContact O-N 2.62Å; Y99-V103 HydrophobicContact CD1-CG2 4.12Å; Y99-V103 HydrophobicContact CE1-CG2 3.72Å; Y99-V103 VanDerWaalsContact O-CG2 3.32Å; Y99-V103 WeakPolarHBondContact O-CG2 3.45Å; Y99-V103 PolarHBondContact O-N 3.2Å; Y99-L241 HydrophobicContact CD2-CD2 3.51Å; Y99-L241 HydrophobicContact CE2-CB 4.28Å; Y99-L241 HydrophobicContact CE2-CD2 3.44Å; Y99-L241 VanDerWaalsContact CE2-CD2 3.44Å; Y99-L241 HydrophobicContact CE2-CG 4.5Å; Y99-L241 HydrophobicContact CG-CD2 4.27Å; Y99-T244 HydrophobicContact CD2-CG2 4.14Å; Y99-F245 HydrophobicContact CE2-CB 4.45Å
100A91.5Very high88.8Confident50 Ų5058.7 Ų58.741%0.41334%0.338SS..Hα-helixtrans-64.3-41.6176.800000112.1F96 I97 V98 V103 A104F96-A100 WeakPolarHBondContact O-CB 3.49Å; F96-A100 PolarHBondContact O-N 3.02Å; I97-A100 PolarHBondContact O-N 3.36Å; V98-A100 VanDerWaalsContact C-N 3.33Å; V98-A100 PolarHBondContact O-N 3.26Å; A100-V103 PolarHBondContact O-N 3.11Å; A100-A104 WeakPolarHBondContact O-CB 3.34Å; A100-A104 PolarHBondContact O-N 2.86Å
101F89.1Confident87.9Confident138 Ų13861.2 Ų61.261%0.60535%0.349SS*.Hα-helixtrans-62.8-44.6174.1-81.1-64.5000112I97 V98 V103 A104 S105I97-F101 HydrophobicContact CG2-CD2 3.83Å; I97-F101 HydrophobicContact CG2-CE2 3.63Å; I97-F101 VanDerWaalsContact O-CD2 3.22Å; I97-F101 WeakPolarHBondContact O-CD2 3.3Å; I97-F101 PolarHBondContact O-N 2.83Å; I97-F101 VanDerWaalsContact O-N 3.1Å; V98-F101 PolarHBondContact O-N 2.85Å; F101-V103 PolarHBondContact O-N 3.33Å; F101-A104 PolarHBondContact O-N 3.05Å; F101-S105 WeakPolarHBondContact O-CB 3.37Å; F101-S105 PolarHBondContact O-N 2.92Å; F101-S105 PolarHBondContact O-OG 2.9Å; F101-S105 VanDerWaalsContact O-OG 3.09Å
102E87.8Confident86.6Confident31 Ų3165.5 Ų65.515%0.14537%0.369CS..Hα-helixtrans-61.3-42.8177.4-81.9-73.9175.900112.5V65 V98 Y99 S105 C106 L241V65-E102 HydrophobicContact CG1-CG 3.95Å; V65-E102 WeakPolarHBondContact CG1-OE1 3.35Å; V98-E102 HydrophobicContact CG1-CG 4.4Å; V98-E102 WeakPolarHBondContact O-CB 3.45Å; V98-E102 WeakPolarHBondContact O-CG 3.1Å; V98-E102 PolarHBondContact O-N 3.33Å; Y99-E102 PolarHBondContact O-N 2.62Å; E102-S105 PolarHBondContact O-N 3.45Å; E102-C106 WeakPolarHBondContact O-CB 3.46Å; E102-C106 PolarHBondContact O-N 3.23Å; E102-C106 PolarHBondContact O-SG 2.89Å; E102-L241 HydrophobicContact CB-CD2 3.74Å; E102-L241 HydrophobicContact CB-CG 4.45Å
103V89.6Confident85Confident48 Ų4869.5 Ų69.529%0.29138%0.384SS..Hα-helixtrans-62.2-45.1174.5171.10000110.9Y99 A100 F101 C106 I107 L241Y99-V103 HydrophobicContact CD1-CG2 4.12Å; Y99-V103 HydrophobicContact CE1-CG2 3.72Å; Y99-V103 VanDerWaalsContact O-CG2 3.32Å; Y99-V103 WeakPolarHBondContact O-CG2 3.45Å; Y99-V103 PolarHBondContact O-N 3.2Å; A100-V103 PolarHBondContact O-N 3.11Å; F101-V103 PolarHBondContact O-N 3.33Å; V103-C106 PolarHBondContact O-N 3.02Å; V103-I107 HydrophobicContact CG1-CD1 3.88Å; V103-I107 VanDerWaalsContact O-CG1 3.28Å; V103-I107 WeakPolarHBondContact O-CG1 3.43Å; V103-I107 PolarHBondContact O-N 3.46Å; V103-L241 HydrophobicContact CG2-CD1 4.08Å; V103-L241 HydrophobicContact CG2-CD2 3.98Å
104A87.8Confident83.2Confident48 Ų4870.6 Ų70.640%0.39739%0.39SS..Hα-helixtrans-60.7-46177.100000111.5A100 F101 C106 I107 T108A100-A104 WeakPolarHBondContact O-CB 3.34Å; A100-A104 PolarHBondContact O-N 2.86Å; F101-A104 PolarHBondContact O-N 3.05Å; A104-C106 PolarHBondContact O-N 3.47Å; A104-I107 PolarHBondContact O-N 3.05Å; A104-T108 PolarHBondContact O-N 3.23Å; A104-T108 PolarHBondContact O-OG1 3.36Å; A104-T108 VanDerWaalsContact O-OG1 3.05Å
105S82.8Confident81.4Confident55 Ų5569 Ų6939%0.38538%0.38SS..Hα-helixtrans-60.2-43.6176.3-64.40000112.2F101 E102 I107 T108 A109F101-S105 WeakPolarHBondContact O-CB 3.37Å; F101-S105 PolarHBondContact O-N 2.92Å; F101-S105 PolarHBondContact O-OG 2.9Å; F101-S105 VanDerWaalsContact O-OG 3.09Å; E102-S105 PolarHBondContact O-N 3.45Å; S105-I107 VanDerWaalsContact C-N 3.34Å; S105-I107 PolarHBondContact O-N 3.38Å; S105-T108 PolarHBondContact O-N 3.01Å; S105-A109 VanDerWaalsContact O-CB 3.31Å; S105-A109 WeakPolarHBondContact O-CB 3.39Å; S105-A109 PolarHBondContact O-N 3.48Å
106C81.3Confident80.1Confident40 Ų4071.8 Ų71.827%0.2739%0.392SS..Hα-helixtrans-61.8-40.7176-73.70000112.2E102 V103 A104 A110 L241E102-C106 WeakPolarHBondContact O-CB 3.46Å; E102-C106 PolarHBondContact O-N 3.23Å; E102-C106 PolarHBondContact O-SG 2.89Å; V103-C106 PolarHBondContact O-N 3.02Å; A104-C106 PolarHBondContact O-N 3.47Å; C106-A110 VanDerWaalsContact O-CB 3.29Å; C106-A110 WeakPolarHBondContact O-CB 3.23Å; C106-A110 PolarHBondContact O-N 3.09Å; C106-L241 HydrophobicContact CB-CD1 4.43Å
107I83.8Confident79.2Confident99 Ų9967.1 Ų67.151%0.50838%0.375SS..Hα-helixtrans-65.1-49.1176.7-67.2165.4000110V103 A104 S105 A109 A110 T111V103-I107 HydrophobicContact CG1-CD1 3.88Å; V103-I107 VanDerWaalsContact O-CG1 3.28Å; V103-I107 WeakPolarHBondContact O-CG1 3.43Å; V103-I107 PolarHBondContact O-N 3.46Å; A104-I107 PolarHBondContact O-N 3.05Å; S105-I107 VanDerWaalsContact C-N 3.34Å; S105-I107 PolarHBondContact O-N 3.38Å; I107-A109 PolarHBondContact O-N 2.89Å; I107-A110 PolarHBondContact O-N 3.23Å; I107-A110 VanDerWaalsContact O-N 3.11Å; I107-T111 HydrophobicContact CG2-CG2 4.2Å; I107-T111 WeakPolarHBondContact O-CG2 3.31Å; I107-T111 PolarHBondContact O-N 3.1Å; I107-T111 PolarHBondContact O-OG1 2.86Å; I107-T111 VanDerWaalsContact O-OG1 3.05Å
108T79.6Confident78.5Confident64 Ų6464.6 Ų64.639%0.39337%0.365SS..Hα-helixtrans-59.2-45.9178.7-59.10000111.5A104 S105 A110 T111 Q112A104-T108 PolarHBondContact O-N 3.23Å; A104-T108 PolarHBondContact O-OG1 3.36Å; A104-T108 VanDerWaalsContact O-OG1 3.05Å; S105-T108 PolarHBondContact O-N 3.01Å; T108-A110 VanDerWaalsContact C-N 3.26Å; T108-A110 PolarHBondContact O-N 3.1Å; T108-T111 PolarHBondContact O-N 3.47Å; T108-T111 PolarHBondContact O-OG1 3.47Å; T108-Q112 HydrophobicContact CG2-CG 4.45Å; T108-Q112 WeakPolarHBondContact O-CB 2.78Å; T108-Q112 PolarHBondContact O-N 3.41Å
109A75.5Confident77.9Confident57 Ų5769 Ų6947%0.47139%0.387SS..Hα-helixtrans-62.2-33.3176.100000112.7S105 I107S105-A109 VanDerWaalsContact O-CB 3.31Å; S105-A109 WeakPolarHBondContact O-CB 3.39Å; S105-A109 PolarHBondContact O-N 3.48Å; I107-A109 PolarHBondContact O-N 2.89Å
110A75.5Confident77.4Confident53 Ų5368.1 Ų68.144%0.43839%0.387SS..Hα-helixtrans-78.6-33178.700000113.4C106 I107 T108 R113C106-A110 VanDerWaalsContact O-CB 3.29Å; C106-A110 WeakPolarHBondContact O-CB 3.23Å; C106-A110 PolarHBondContact O-N 3.09Å; I107-A110 PolarHBondContact O-N 3.23Å; I107-A110 VanDerWaalsContact O-N 3.11Å; T108-A110 VanDerWaalsContact C-N 3.26Å; T108-A110 PolarHBondContact O-N 3.1Å; A110-R113 WeakPolarHBondContact O-CG 3.41Å
111T76.1Confident77Confident95 Ų9566.3 Ų66.358%0.58337%0.369SS*.Hα-helixtrans-89.1-38.6-177.156.60000112.6I107 T108 R113I107-T111 HydrophobicContact CG2-CG2 4.2Å; I107-T111 WeakPolarHBondContact O-CG2 3.31Å; I107-T111 PolarHBondContact O-N 3.1Å; I107-T111 PolarHBondContact O-OG1 2.86Å; I107-T111 VanDerWaalsContact O-OG1 3.05Å; T108-T111 PolarHBondContact O-N 3.47Å; T108-T111 PolarHBondContact O-OG1 3.47Å; T111-R113 PolarHBondContact O-N 3.02Å
112Q66.8Low76.9Confident90 Ų9060.2 Ų60.242%0.42134%0.343SS..  trans-89.344.2178.4-66.7-177.9-35.800111.9T108 D114 F115T108-Q112 HydrophobicContact CG2-CG 4.45Å; T108-Q112 WeakPolarHBondContact O-CB 2.78Å; T108-Q112 PolarHBondContact O-N 3.41Å; Q112-D114 PolarHBondContact O-N 3.28Å; Q112-F115 HydrophobicContact CB-CD2 4.07Å; Q112-F115 HydrophobicContact CB-CE1 4.45Å; Q112-F115 HydrophobicContact CB-CE2 3.42Å; Q112-F115 VanDerWaalsContact CB-CE2 3.42Å; Q112-F115 HydrophobicContact CB-CZ 3.66Å; Q112-F115 HydrophobicContact CG-CZ 4.42Å; Q112-F115 WeakPolarHBondContact O-CD2 3.03Å; Q112-F115 VanDerWaalsContact O-CE2 3.23Å; Q112-F115 WeakPolarHBondContact O-CE2 3.42Å; Q112-F115 WeakPolarHBondContact O-CG 3.38Å; Q112-F115 PolarHBondContact O-N 3.07Å
113R60.3Low76.8Confident109 Ų10964.8 Ų64.841%0.41136%0.362SS..G310 helixtrans-61.1-12176.1-59.1-135.4-175.7-167.92.6113.7A110 T111 F115 W231A110-R113 WeakPolarHBondContact O-CG 3.41Å; T111-R113 PolarHBondContact O-N 3.02Å; R113-F115 PolarHBondContact O-N 3.45Å; R113-F115 VanDerWaalsContact O-N 3.17Å; R113-W231 VanDerWaalsContact NH1-NE1 3.11Å; R113-W231 VanDerWaalsContact NH2-CZ2 3.35Å
114D57Low76.6Confident119 Ų11962.8 Ų62.864%0.63635%0.35SS*.G310 helixtrans-68.4-3.1177.6-58.6-39000114.2Q112 F116 T117Q112-D114 PolarHBondContact O-N 3.28Å; D114-F116 PolarHBondContact O-N 3.2Å; D114-F116 VanDerWaalsContact O-N 3.09Å; D114-T117 HydrophobicContact CB-CG2 3.98Å; D114-T117 WeakPolarHBondContact O-CG2 3.22Å; D114-T117 PolarHBondContact O-N 3.41Å; D114-T117 VanDerWaalsContact O-N 3.1Å; D114-T117 PolarHBondContact O-OG1 3.45Å
115F58.3Low76.6Confident51 Ų5160.5 Ų60.522%0.22433%0.331CS..G310 helixtrans-53.2-28.5171.7-70.1-58.1000113.1D54 I55 Q112 R113 L120D54-F115 HydrophobicContact CB-CE1 4.43Å; I55-F115 HydrophobicContact CD1-CB 4.37Å; I55-F115 HydrophobicContact CD1-CD1 4.29Å; I55-F115 HydrophobicContact CG1-CD1 4.23Å; Q112-F115 HydrophobicContact CB-CD2 4.07Å; Q112-F115 HydrophobicContact CB-CE1 4.45Å; Q112-F115 HydrophobicContact CB-CE2 3.42Å; Q112-F115 VanDerWaalsContact CB-CE2 3.42Å; Q112-F115 HydrophobicContact CB-CZ 3.66Å; Q112-F115 HydrophobicContact CG-CZ 4.42Å; Q112-F115 WeakPolarHBondContact O-CD2 3.03Å; Q112-F115 VanDerWaalsContact O-CE2 3.23Å; Q112-F115 WeakPolarHBondContact O-CE2 3.42Å; Q112-F115 WeakPolarHBondContact O-CG 3.38Å; Q112-F115 PolarHBondContact O-N 3.07Å; R113-F115 PolarHBondContact O-N 3.45Å; R113-F115 VanDerWaalsContact O-N 3.17Å; F115-L120 WeakPolarHBondContact O-CD2 3.41Å
116F67.4Low76.8Confident59 Ų5958.8 Ų58.826%0.25932%0.317SS..G310 helixtrans-10836.8179.6-54.1-50000112.3L47 D114 F121 Y219 M226 A230L47-F116 HydrophobicContact CD2-CE1 4.17Å; D114-F116 PolarHBondContact O-N 3.2Å; D114-F116 VanDerWaalsContact O-N 3.09Å; F116-F121 HydrophobicContact CB-CE2 4.44Å; F116-F121 HydrophobicContact CD1-CE2 4.33Å; F116-F121 HydrophobicContact CD1-CZ 4.28Å; F116-Y219 WeakPolarHBondContact O-CE2 3.27Å; F116-Y219 VanDerWaalsContact O-CZ 3.25Å; F116-Y219 PolarHBondContact O-OH 2.95Å; F116-M226 HydrophobicContact CD1-CE 3.02Å; F116-M226 HydrophobicContact CD2-CE 4.31Å; F116-M226 HydrophobicContact CE1-CE 2.94Å; F116-M226 HydrophobicContact CE2-CE 4.23Å; F116-M226 HydrophobicContact CG-CE 3.75Å; F116-M226 HydrophobicContact CZ-CE 3.59Å; F116-A230 HydrophobicContact CE2-CB 4.37Å
117T74.2Confident77Confident44 Ų4461.7 Ų61.727%0.2733%0.327SS..  trans-70.3141.2174.148.10000111.4D114 N119 L120D114-T117 HydrophobicContact CB-CG2 3.98Å; D114-T117 WeakPolarHBondContact O-CG2 3.22Å; D114-T117 PolarHBondContact O-N 3.41Å; D114-T117 VanDerWaalsContact O-N 3.1Å; D114-T117 PolarHBondContact O-OG1 3.45Å; T117-N119 PolarHBondContact O-N 3.48Å; T117-L120 WeakPolarHBondContact O-CB 3.14Å; T117-L120 PolarHBondContact O-N 2.86Å; T117-L120 VanDerWaalsContact O-N 3.12Å
118P78.9Confident76.9Confident31 Ų3158.3 Ų58.320%0.20131%0.308CS..Hα-helixtrans-59.3-31.417623.4-32.6000111.4L120 F121 L122 V162 Y219P118-L120 VanDerWaalsContact C-N 3.29Å; P118-L120 PolarHBondContact O-N 3.08Å; P118-F121 PolarHBondContact O-N 2.92Å; P118-L122 WeakPolarHBondContact O-CB 3.23Å; P118-L122 PolarHBondContact O-N 3.28Å; P118-V162 HydrophobicContact CB-CG1 3.87Å; P118-V162 WeakPolarHBondContact O-CG1 3.07Å; P118-Y219 HydrophobicContact CB-CD1 3.91Å; P118-Y219 HydrophobicContact CB-CD2 4.03Å; P118-Y219 HydrophobicContact CB-CE1 4.09Å; P118-Y219 HydrophobicContact CB-CE2 4.21Å; P118-Y219 HydrophobicContact CB-CG 3.89Å; P118-Y219 HydrophobicContact CG-CD1 4.47Å; P118-Y219 HydrophobicContact CG-CE1 4.23Å
119N81.6Confident77.2Confident110 Ų11055.3 Ų55.359%0.58829%0.289SS*.Hα-helixtrans-62.1-34.8178.7-64.3-39000113.2T117 L122 K123T117-N119 PolarHBondContact O-N 3.48Å; N119-L122 PolarHBondContact O-N 2.9Å; N119-K123 WeakPolarHBondContact O-CB 3.46Å; N119-K123 PolarHBondContact O-N 3.27Å
120L79.8Confident77.5Confident40 Ų4054.9 Ų54.921%0.20928%0.277CS..Hα-helixtrans-68-50.3178.9-172.265.7000110.6T50 F115 T117 P118 L122 K123 Q124T50-L120 HydrophobicContact CG2-CD1 3.79Å; T50-L120 HydrophobicContact CG2-CD2 3.63Å; T50-L120 HydrophobicContact CG2-CG 3.76Å; F115-L120 WeakPolarHBondContact O-CD2 3.41Å; T117-L120 WeakPolarHBondContact O-CB 3.14Å; T117-L120 PolarHBondContact O-N 2.86Å; T117-L120 VanDerWaalsContact O-N 3.12Å; P118-L120 VanDerWaalsContact C-N 3.29Å; P118-L120 PolarHBondContact O-N 3.08Å; L120-L122 VanDerWaalsContact C-N 3.27Å; L120-L122 PolarHBondContact O-N 3.34Å; L120-K123 PolarHBondContact O-N 2.96Å; L120-Q124 WeakPolarHBondContact O-CB 3.49Å; L120-Q124 PolarHBondContact O-N 2.99Å
121F83.2Confident77.8Confident11 Ų1154.2 Ų54.25%0.04827%0.267CS..Hα-helixtrans-62.2-35.8174.8-71.3-66.8000112.3L46 F116 P118 M125 W150 V162 Y219 M226L46-F121 HydrophobicContact CB-CE1 4.29Å; F116-F121 HydrophobicContact CB-CE2 4.44Å; F116-F121 HydrophobicContact CD1-CE2 4.33Å; F116-F121 HydrophobicContact CD1-CZ 4.28Å; P118-F121 PolarHBondContact O-N 2.92Å; F121-M125 WeakPolarHBondContact O-CB 3.34Å; F121-M125 PolarHBondContact O-N 3.34Å; F121-W150 HydrophobicContact CB-CZ2 4.44Å; F121-V162 HydrophobicContact CB-CG1 4.34Å; F121-V162 HydrophobicContact CB-CG2 4.24Å; F121-Y219 AromaticContact CD2-CD2 4Å; F121-Y219 HydrophobicContact CD2-CD2 4Å; F121-Y219 HydrophobicContact CD2-CE2 4.08Å; F121-Y219 HydrophobicContact CE2-CE2 4.3Å; F121-M226 HydrophobicContact CZ-CE 4.17Å
122L87.4Confident77.4Confident11 Ų1155 Ų556%0.05827%0.267CS..Hα-helixtrans-66.4-50.4178.2179.264.2000110.6P118 N119 L120 Q124 M125 L126 V162 D167 Y171P118-L122 WeakPolarHBondContact O-CB 3.23Å; P118-L122 PolarHBondContact O-N 3.28Å; N119-L122 PolarHBondContact O-N 2.9Å; L120-L122 VanDerWaalsContact C-N 3.27Å; L120-L122 PolarHBondContact O-N 3.34Å; L122-Q124 VanDerWaalsContact C-N 3.32Å; L122-Q124 PolarHBondContact O-N 2.87Å; L122-M125 PolarHBondContact O-N 3.12Å; L122-L126 HydrophobicContact CD1-CD1 3.85Å; L122-L126 HydrophobicContact CD1-CG 4.08Å; L122-L126 HydrophobicContact CG-CD1 3.84Å; L122-L126 HydrophobicContact CG-CG 4.44Å; L122-L126 WeakPolarHBondContact O-CB 3.42Å; L122-L126 WeakPolarHBondContact O-CG 3.44Å; L122-L126 PolarHBondContact O-N 3.33Å; L122-V162 HydrophobicContact CB-CB 4.23Å; L122-V162 HydrophobicContact CB-CG1 4.37Å; L122-V162 HydrophobicContact CB-CG2 3.95Å; L122-V162 HydrophobicContact CD1-CB 4.23Å; L122-V162 HydrophobicContact CD1-CG2 4.08Å; L122-D167 HydrophobicContact CD1-CB 3.72Å; L122-Y171 HydrophobicContact CD2-CD2 4.36Å; L122-Y171 HydrophobicContact CD2-CE2 3.94Å
123K85.5Confident77.4Confident126 Ų12655.2 Ų55.255%0.54828%0.279SS..Hα-helixtrans-57.4-48.5176.8-175.6-178.8174.9-170.90110.9N119 L120 M125 L126 E127N119-K123 WeakPolarHBondContact O-CB 3.46Å; N119-K123 PolarHBondContact O-N 3.27Å; L120-K123 PolarHBondContact O-N 2.96Å; K123-M125 PolarHBondContact O-N 3.4Å; K123-L126 PolarHBondContact O-N 2.73Å; K123-E127 WeakPolarHBondContact CE-OE1 3.32Å; K123-E127 WeakPolarHBondContact CG-OE1 3.5Å; K123-E127 WeakPolarHBondContact O-CB 3.38Å; K123-E127 WeakPolarHBondContact O-CG 3.16Å; K123-E127 PolarHBondContact O-N 3.4Å
124Q86.1Confident77.8Confident7 Ų751.5 Ų51.53%0.03327%0.269CS..Hα-helixtrans-61-46.4179.1-175.9-167.22.700112.6L46 A49 T50 L120 L122 E127 R128L46-Q124 PolarHBondContact O-NE2 3.49Å; L46-Q124 PolarHBondContact O-OE1 3.44Å; A49-Q124 VanDerWaalsContact CB-NE2 3.35Å; T50-Q124 PolarHBondContact OG1-OE1 2.97Å; T50-Q124 VanDerWaalsContact OG1-OE1 3.09Å; L120-Q124 WeakPolarHBondContact O-CB 3.49Å; L120-Q124 PolarHBondContact O-N 2.99Å; L122-Q124 VanDerWaalsContact C-N 3.32Å; L122-Q124 PolarHBondContact O-N 2.87Å; Q124-E127 PolarHBondContact O-N 2.92Å; Q124-R128 WeakPolarHBondContact O-CB 3.35Å; Q124-R128 PolarHBondContact O-N 3.14Å
125M87.6Confident78.2Confident0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-57.9-51.5176.6174.8-157.5-74.300110.2F121 L122 K123 E127 Y129 W150 V162 W168F121-M125 WeakPolarHBondContact O-CB 3.34Å; F121-M125 PolarHBondContact O-N 3.34Å; L122-M125 PolarHBondContact O-N 3.12Å; K123-M125 PolarHBondContact O-N 3.4Å; M125-E127 VanDerWaalsContact C-N 3.28Å; M125-E127 PolarHBondContact O-N 3.42Å; M125-Y129 WeakPolarHBondContact O-CB 3.4Å; M125-Y129 PolarHBondContact O-N 3.34Å; M125-W150 HydrophobicContact CB-CZ2 4.18Å; M125-W150 HydrophobicContact CE-CD2 3.63Å; M125-W150 VanDerWaalsContact CE-CE2 3.48Å; M125-W150 HydrophobicContact CE-CE3 3.49Å; M125-W150 VanDerWaalsContact CE-CE3 3.49Å; M125-W150 HydrophobicContact CE-CH2 3.16Å; M125-W150 HydrophobicContact CE-CZ2 3.29Å; M125-W150 HydrophobicContact CE-CZ3 3.23Å; M125-W150 HydrophobicContact CG-CD2 4.47Å; M125-V162 HydrophobicContact CE-CB 4.32Å; M125-V162 HydrophobicContact CE-CG2 3.25Å; M125-V162 HydrophobicContact SD-CG2 4.05Å; M125-W168 HydrophobicContact CE-CZ2 4.24Å; M125-W168 HydrophobicContact CG-CH2 3.49Å; M125-W168 VanDerWaalsContact CG-CH2 3.49Å; M125-W168 HydrophobicContact CG-CZ2 3.8Å; M125-W168 HydrophobicContact CG-CZ3 4.35Å; M125-W168 HydrophobicContact SD-CH2 3.58Å; M125-W168 VanDerWaalsContact SD-CH2 3.58Å; M125-W168 HydrophobicContact SD-CZ2 3.27Å; M125-W168 WeakPolarHBondContact SD-CZ2 3.36Å; M125-W168 HydrophobicContact SD-CZ3 4.42Å
126L86.6Confident79Confident18 Ų1853.6 Ų53.69%0.09429%0.288CS..Hα-helixtrans-62.8-35-176.1-66.1169000112.2L122 K123 Y171 S173 A174L122-L126 HydrophobicContact CD1-CD1 3.85Å; L122-L126 HydrophobicContact CD1-CG 4.08Å; L122-L126 HydrophobicContact CG-CD1 3.84Å; L122-L126 HydrophobicContact CG-CG 4.44Å; L122-L126 WeakPolarHBondContact O-CB 3.42Å; L122-L126 WeakPolarHBondContact O-CG 3.44Å; L122-L126 PolarHBondContact O-N 3.33Å; K123-L126 PolarHBondContact O-N 2.73Å; L126-Y171 HydrophobicContact CD1-CD2 4.16Å; L126-Y171 HydrophobicContact CD1-CG 3.88Å; L126-S173 CarbonylContact O-C 3.52Å; L126-S173 VanDerWaalsContact O-CA 3.25Å; L126-S173 WeakPolarHBondContact O-CA 3.41Å; L126-S173 WeakPolarHBondContact O-CB 3.38Å; L126-A174 PolarHBondContact O-N 3.26Å
127E85.3Confident79.2Confident101 Ų10157.1 Ų57.147%0.47231%0.31SS..Hα-helixtrans-82.4-37-178.2-71.7174.6178.200113.8K123 Q124 M125 N131K123-E127 WeakPolarHBondContact CE-OE1 3.32Å; K123-E127 WeakPolarHBondContact CG-OE1 3.5Å; K123-E127 WeakPolarHBondContact O-CB 3.38Å; K123-E127 WeakPolarHBondContact O-CG 3.16Å; K123-E127 PolarHBondContact O-N 3.4Å; Q124-E127 PolarHBondContact O-N 2.92Å; M125-E127 VanDerWaalsContact C-N 3.28Å; M125-E127 PolarHBondContact O-N 3.42Å; E127-N131 PolarHBondContact O-ND2 3.25Å
128R83.3Confident79.1Confident29 Ų2960.4 Ų60.411%0.10933%0.326CS..Hα-helixtrans-110.8-20.1-168-62.9-171.8179.3-873.1115A49 D51 Q124 Q130 N131 D139 N143 V146A49-R128 PolarHBondContact O-NE 3.24Å; D51-R128 IonicContact OD1-NH2 3.89Å; Q124-R128 WeakPolarHBondContact O-CB 3.35Å; Q124-R128 PolarHBondContact O-N 3.14Å; R128-Q130 PolarHBondContact O-N 2.95Å; R128-N131 PolarHBondContact O-N 2.94Å; R128-D139 IonicContact CZ-OD1 3.98Å; R128-D139 IonicContact NH1-OD1 3.1Å; R128-D139 PolarHBondContact NH1-OD1 3.42Å; R128-D139 VanDerWaalsContact NH1-OD1 3.1Å; R128-D139 IonicContact NH2-OD1 3.88Å; R128-N143 WeakPolarHBondContact CB-OD1 3.16Å; R128-N143 WeakPolarHBondContact CG-OD1 3.41Å; R128-N143 PolarHBondContact NH1-OD1 2.86Å; R128-V146 HydrophobicContact CB-CB 4.46Å; R128-V146 HydrophobicContact CB-CG1 4.16Å; R128-V146 HydrophobicContact CB-CG2 4.48Å
129Y85.6Confident78.9Confident0 Ų060.5 Ų60.50%033%0.325CS..THydrogen-bonded Turntrans-68.2123.2-179.6-176.4-91.9000111.4M125 N131 T147 W150 D151 W168 F175 P187M125-Y129 WeakPolarHBondContact O-CB 3.4Å; M125-Y129 PolarHBondContact O-N 3.34Å; Y129-N131 PolarHBondContact O-N 3.17Å; Y129-N131 VanDerWaalsContact O-N 3.13Å; Y129-T147 HydrophobicContact CD2-CG2 4.25Å; Y129-T147 HydrophobicContact CE2-CG2 3.96Å; Y129-W150 HydrophobicContact CD2-CB 3.68Å; Y129-W150 HydrophobicContact CD2-CG 4.14Å; Y129-W150 HydrophobicContact CE2-CB 3.64Å; Y129-D151 WeakPolarHBondContact CE2-OD1 3.44Å; Y129-D151 PolarHBondContact OH-OD1 3.33Å; Y129-W168 AromaticContact CD1-CH2 3.28Å; Y129-W168 HydrophobicContact CD1-CH2 3.28Å; Y129-W168 HydrophobicContact CD1-CZ2 4.32Å; Y129-W168 AromaticContact CD1-CZ3 3.57Å; Y129-W168 HydrophobicContact CD1-CZ3 3.57Å; Y129-W168 HydrophobicContact CD2-CH2 4.24Å; Y129-W168 AromaticContact CE1-CH2 3.79Å; Y129-W168 HydrophobicContact CE1-CH2 3.79Å; Y129-W168 HydrophobicContact CE1-CZ2 4.48Å; Y129-W168 HydrophobicContact CE1-CZ3 4.19Å; Y129-W168 AromaticContact CG-CH2 3.55Å; Y129-W168 HydrophobicContact CG-CH2 3.55Å; Y129-W168 HydrophobicContact CG-CZ3 4.16Å; Y129-F175 HydrophobicContact CD1-CB 4.12Å; Y129-F175 HydrophobicContact CD1-CD2 4.31Å; Y129-F175 HydrophobicContact CD1-CG 4.38Å; Y129-F175 HydrophobicContact CE1-CD2 4.02Å; Y129-F175 HydrophobicContact CE1-CG 4.41Å; Y129-P187 HydrophobicContact CD1-CG 4.28Å; Y129-P187 HydrophobicContact CE1-CB 3.93Å; Y129-P187 HydrophobicContact CE1-CG 3.37Å; Y129-P187 VanDerWaalsContact OH-CB 3.25Å; Y129-P187 WeakPolarHBondContact OH-CB 3.16Å
130Q81.4Confident78.7Confident48 Ų4859.7 Ų59.722%0.22432%0.317CS..THydrogen-bonded Turntrans48.933-176.2-67.5-171.78.600114.3R128 N132 T147 F175R128-Q130 PolarHBondContact O-N 2.95Å; Q130-N132 PolarHBondContact O-N 3.33Å; Q130-T147 HydrophobicContact CG-CG2 3.61Å; Q130-T147 PolarHBondContact N-OG1 3.45Å; Q130-F175 HydrophobicContact CB-CD2 4.16Å; Q130-F175 HydrophobicContact CG-CD2 4.44Å
131N81.4Confident78.6Confident39 Ų3962.9 Ų62.921%0.20933%0.327CS..  trans-82.1103.6175-175-12.8000109.9E127 R128 Y129 S133 N143 A174E127-N131 PolarHBondContact O-ND2 3.25Å; R128-N131 PolarHBondContact O-N 2.94Å; Y129-N131 PolarHBondContact O-N 3.17Å; Y129-N131 VanDerWaalsContact O-N 3.13Å; N131-S133 PolarHBondContact OD1-N 2.89Å; N131-S133 VanDerWaalsContact OD1-N 3.16Å; N131-N143 PolarHBondContact O-ND2 3.19Å; N131-A174 HydrophobicContact CB-CB 3.63Å
132N68.5Low78.3Confident111 Ų11164.2 Ų64.259%0.59433%0.333SS*.  trans-88.1-2.5-177-65.9-39.9000113.4Q130 P134 E178Q130-N132 PolarHBondContact O-N 3.33Å; N132-P134 VanDerWaalsContact O-CD 3.24Å; N132-P134 WeakPolarHBondContact O-CD 3.36Å; N132-E178 WeakPolarHBondContact CB-OE1 3.44Å; N132-E178 PolarHBondContact N-OE1 3.16Å; N132-E178 PolarHBondContact ND2-OE2 2.91Å
133S66.1Low78.1Confident96 Ų9663.9 Ų63.967%0.67133%0.331SS*.  trans-116.459.3178-58.20000112.8N131N131-S133 PolarHBondContact OD1-N 2.89Å; N131-S133 VanDerWaalsContact OD1-N 3.16Å
134P68.8Low78Confident30 Ų3062.2 Ų62.220%0.19533%0.328CS..  trans-69.4146.4175.628.1-31.3000111.2N132 N136 D139 Q140N132-P134 VanDerWaalsContact O-CD 3.24Å; N132-P134 WeakPolarHBondContact O-CD 3.36Å; P134-N136 VanDerWaalsContact C-N 3.27Å; P134-N136 PolarHBondContact O-N 3.35Å; P134-D139 HydrophobicContact CB-CB 3.71Å; P134-Q140 HydrophobicContact CB-CB 4.43Å; P134-Q140 HydrophobicContact CG-CB 3.66Å; P134-Q140 HydrophobicContact CG-CG 4.01Å
135P66.1Low77.9Confident110 Ų11062.7 Ų62.771%0.71434%0.335SS*.SBendtrans-67.3-27178.425.1-31.5000112.9
136N73.6Confident77.8Confident104 Ų10462.7 Ų62.756%0.55634%0.335SS*.SBendtrans-137.3158.7-178.4-69.6-33.9000112.2P134 D138 D139 Q140P134-N136 VanDerWaalsContact C-N 3.27Å; P134-N136 PolarHBondContact O-N 3.35Å; N136-D138 PolarHBondContact O-N 3.37Å; N136-D139 PolarHBondContact O-N 3.4Å; N136-D139 VanDerWaalsContact O-N 3.15Å; N136-Q140 PolarHBondContact O-N 3.33Å
137N71.9Confident77.9Confident134 Ų13462.8 Ų62.872%0.71734%0.336SS*.Hα-helixtrans-61-30.2174.6-64.5-26.8000112.6Q140 W141N137-Q140 WeakPolarHBondContact O-CB 3.26Å; N137-Q140 PolarHBondContact O-N 3.02Å; N137-W141 PolarHBondContact O-N 3.18Å
138D72Confident78Confident112 Ų11264.2 Ų64.260%0.59934%0.341SS*.Hα-helixtrans-68.9-35.4176.9-69.2-28.7000112.3N136 Q140 W141 K142N136-D138 PolarHBondContact O-N 3.37Å; D138-Q140 VanDerWaalsContact C-N 3.27Å; D138-Q140 PolarHBondContact O-N 3.26Å; D138-W141 PolarHBondContact O-NE1 3.43Å; D138-K142 PolarHBondContact O-N 2.97Å
139D75.3Confident78.3Confident33 Ų3363.1 Ų63.118%0.17634%0.337CS..Hα-helixtrans-70.8-27.3174.1-73.4-58.6000111.9R128 P134 N136 K142 N143R128-D139 IonicContact CZ-OD1 3.98Å; R128-D139 IonicContact NH1-OD1 3.1Å; R128-D139 PolarHBondContact NH1-OD1 3.42Å; R128-D139 VanDerWaalsContact NH1-OD1 3.1Å; R128-D139 IonicContact NH2-OD1 3.88Å; P134-D139 HydrophobicContact CB-CB 3.71Å; N136-D139 PolarHBondContact O-N 3.4Å; N136-D139 VanDerWaalsContact O-N 3.15Å; D139-K142 PolarHBondContact O-N 3.32Å; D139-N143 WeakPolarHBondContact O-CB 3.24Å; D139-N143 PolarHBondContact O-N 3.46Å; D139-N143 PolarHBondContact O-ND2 2.96Å; D139-N143 PolarHBondContact O-OD1 3.47Å
140Q78.3Confident78.4Confident94 Ų9463.2 Ų63.244%0.43934%0.338SS..Hα-helixtrans-64.7-45.3177.8-166.1178.51000112.3P134 N136 N137 D138 K142 N143 N144P134-Q140 HydrophobicContact CB-CB 4.43Å; P134-Q140 HydrophobicContact CG-CB 3.66Å; P134-Q140 HydrophobicContact CG-CG 4.01Å; N136-Q140 PolarHBondContact O-N 3.33Å; N137-Q140 WeakPolarHBondContact O-CB 3.26Å; N137-Q140 PolarHBondContact O-N 3.02Å; D138-Q140 VanDerWaalsContact C-N 3.27Å; D138-Q140 PolarHBondContact O-N 3.26Å; Q140-K142 VanDerWaalsContact C-N 3.34Å; Q140-N143 PolarHBondContact O-N 3.43Å; Q140-N144 WeakPolarHBondContact O-CB 3.25Å; Q140-N144 VanDerWaalsContact O-CG 3.23Å; Q140-N144 PolarHBondContact O-N 3.38Å; Q140-N144 PolarHBondContact O-ND2 2.82Å
141W77.5Confident78.8Confident106 Ų10662.5 Ų62.540%0.40234%0.336SS..Hα-helixtrans-68.3-37178.474.1-104.5000111.3E48 N137 D138 N144 G145E48-W141 HydrophobicContact CG-CH2 3.78Å; E48-W141 HydrophobicContact CG-CZ3 4.29Å; E48-W141 WeakPolarHBondContact OE1-CH2 3.31Å; E48-W141 WeakPolarHBondContact OE2-CH2 3.02Å; E48-W141 VanDerWaalsContact OE2-CZ3 3.27Å; E48-W141 WeakPolarHBondContact OE2-CZ3 3.48Å; N137-W141 PolarHBondContact O-N 3.18Å; D138-W141 PolarHBondContact O-NE1 3.43Å; W141-N144 PolarHBondContact O-N 2.74Å; W141-G145 PolarHBondContact O-N 3.41Å
142K77Confident79.2Confident40 Ų4064.3 Ų64.317%0.17434%0.339CS..Hα-helixtrans-60.8-49.1174.1-73.2-173.7179-1650111.2A49 D138 D139 Q140 N144 G145 V146A49-K142 HydrophobicContact CB-CB 4.18Å; D138-K142 PolarHBondContact O-N 2.97Å; D139-K142 PolarHBondContact O-N 3.32Å; Q140-K142 VanDerWaalsContact C-N 3.34Å; K142-N144 VanDerWaalsContact C-N 3.33Å; K142-N144 PolarHBondContact O-N 2.92Å; K142-G145 PolarHBondContact O-N 3.49Å; K142-V146 WeakPolarHBondContact O-CG2 3.2Å; K142-V146 PolarHBondContact O-N 2.67Å
143N83.2Confident80.2Confident4 Ų459.4 Ų59.42%0.02131%0.313CS..Hα-helixtrans-61.3-41.1179.1-68.3-3.4000111.7R128 N131 D139 Q140 V146 T147R128-N143 WeakPolarHBondContact CB-OD1 3.16Å; R128-N143 WeakPolarHBondContact CG-OD1 3.41Å; R128-N143 PolarHBondContact NH1-OD1 2.86Å; N131-N143 PolarHBondContact O-ND2 3.19Å; D139-N143 WeakPolarHBondContact O-CB 3.24Å; D139-N143 PolarHBondContact O-N 3.46Å; D139-N143 PolarHBondContact O-ND2 2.96Å; D139-N143 PolarHBondContact O-OD1 3.47Å; Q140-N143 PolarHBondContact O-N 3.43Å; N143-V146 PolarHBondContact O-N 3.09Å; N143-T147 WeakPolarHBondContact O-CB 3.4Å; N143-T147 PolarHBondContact O-N 3.29Å; N143-T147 PolarHBondContact O-OG1 2.89Å
144N83.7Confident81.3Confident90 Ų9054.9 Ų54.948%0.48128%0.281SS..Hα-helixtrans-63.8-42.3175.2-73.8-18.4000111.9Q140 W141 K142 T147 K148Q140-N144 WeakPolarHBondContact O-CB 3.25Å; Q140-N144 VanDerWaalsContact O-CG 3.23Å; Q140-N144 PolarHBondContact O-N 3.38Å; Q140-N144 PolarHBondContact O-ND2 2.82Å; W141-N144 PolarHBondContact O-N 2.74Å; K142-N144 VanDerWaalsContact C-N 3.33Å; K142-N144 PolarHBondContact O-N 2.92Å; N144-T147 PolarHBondContact O-N 2.9Å; N144-K148 VanDerWaalsContact O-CB 3.32Å; N144-K148 WeakPolarHBondContact O-CB 3.3Å; N144-K148 PolarHBondContact O-N 3.44Å
145G83.7Confident82.2Confident18 Ų1857.1 Ų57.119%0.18629%0.291CS..Hα-helixtrans-61.2-46.317500000112.4W141 K142 T149W141-G145 PolarHBondContact O-N 3.41Å; K142-G145 PolarHBondContact O-N 3.49Å; G145-T149 WeakPolarHBondContact O-CB 3.49Å; G145-T149 PolarHBondContact O-N 3.32Å; G145-T149 PolarHBondContact O-OG1 3.31Å
146V85.6Confident83.3Confident0 Ų057.7 Ų57.70%028%0.284CS..Hα-helixtrans-60.2-49175.6170.70000111L46 A49 R128 K142 N143 T149 W150L46-V146 HydrophobicContact CD2-CB 4.38Å; L46-V146 HydrophobicContact CD2-CG1 4Å; L46-V146 HydrophobicContact CD2-CG2 4.33Å; A49-V146 HydrophobicContact CB-CG2 3.27Å; R128-V146 HydrophobicContact CB-CB 4.46Å; R128-V146 HydrophobicContact CB-CG1 4.16Å; R128-V146 HydrophobicContact CB-CG2 4.48Å; K142-V146 WeakPolarHBondContact O-CG2 3.2Å; K142-V146 PolarHBondContact O-N 2.67Å; N143-V146 PolarHBondContact O-N 3.09Å; V146-T149 PolarHBondContact O-N 3.08Å; V146-W150 PolarHBondContact O-N 3.18Å
147T88.1Confident83.9Confident19 Ų1955.5 Ų55.512%0.11727%0.273CS..Hα-helixtrans-61.2-49.6-178.8-58.70000111.4Y129 Q130 N143 N144 T149 W150 D151Y129-T147 HydrophobicContact CD2-CG2 4.25Å; Y129-T147 HydrophobicContact CE2-CG2 3.96Å; Q130-T147 HydrophobicContact CG-CG2 3.61Å; Q130-T147 PolarHBondContact N-OG1 3.45Å; N143-T147 WeakPolarHBondContact O-CB 3.4Å; N143-T147 PolarHBondContact O-N 3.29Å; N143-T147 PolarHBondContact O-OG1 2.89Å; N144-T147 PolarHBondContact O-N 2.9Å; T147-T149 VanDerWaalsContact C-N 3.26Å; T147-T149 PolarHBondContact O-N 3.5Å; T147-W150 PolarHBondContact O-N 3.04Å; T147-D151 WeakPolarHBondContact O-CB 3.35Å; T147-D151 VanDerWaalsContact O-CG 3.27Å; T147-D151 PolarHBondContact O-N 3.43Å
148K88.1Confident84.8Confident131 Ų13153.3 Ų53.357%0.5726%0.261SS*.Hα-helixtrans-59.8-38.1177.8-175.1-177.5177.7-1710112N144 R152N144-K148 VanDerWaalsContact O-CB 3.32Å; N144-K148 WeakPolarHBondContact O-CB 3.3Å; N144-K148 PolarHBondContact O-N 3.44Å; K148-R152 WeakPolarHBondContact O-CB 3.21Å; K148-R152 PolarHBondContact O-N 3.2Å; K148-R152 VanDerWaalsContact O-N 3.11Å
149T87.8Confident85.7Confident6 Ų648 Ų484%0.03723%0.233CC..Hα-helixtrans-68.8-48.2-180-56.70000111.2S42 L46 G145 V146 T147 D151 R152 L153S42-T149 WeakPolarHBondContact O-CG2 3.41Å; L46-T149 HydrophobicContact CD1-CG2 3.72Å; L46-T149 HydrophobicContact CD2-CG2 4.27Å; L46-T149 HydrophobicContact CG-CG2 3.7Å; G145-T149 WeakPolarHBondContact O-CB 3.49Å; G145-T149 PolarHBondContact O-N 3.32Å; G145-T149 PolarHBondContact O-OG1 3.31Å; V146-T149 PolarHBondContact O-N 3.08Å; T147-T149 VanDerWaalsContact C-N 3.26Å; T147-T149 PolarHBondContact O-N 3.5Å; T149-D151 PolarHBondContact O-N 3.39Å; T149-R152 PolarHBondContact O-N 3.38Å; T149-L153 HydrophobicContact CG2-CD1 3.9Å; T149-L153 HydrophobicContact CG2-CG 4.47Å; T149-L153 VanDerWaalsContact O-CG 3.29Å; T149-L153 WeakPolarHBondContact O-CG 3.49Å; T149-L153 PolarHBondContact O-N 3.45Å
150W89.4Confident86.5Confident2 Ų246.4 Ų46.41%0.00822%0.224CC..Hα-helixtrans-61.1-42.3175.6-85.8112.2000112.6L46 F121 M125 Y129 V146 T147 R152 L153 M154 V162 C218 I222L46-W150 HydrophobicContact CD2-CG 4.49Å; F121-W150 HydrophobicContact CB-CZ2 4.44Å; M125-W150 HydrophobicContact CB-CZ2 4.18Å; M125-W150 HydrophobicContact CE-CD2 3.63Å; M125-W150 VanDerWaalsContact CE-CE2 3.48Å; M125-W150 HydrophobicContact CE-CE3 3.49Å; M125-W150 VanDerWaalsContact CE-CE3 3.49Å; M125-W150 HydrophobicContact CE-CH2 3.16Å; M125-W150 HydrophobicContact CE-CZ2 3.29Å; M125-W150 HydrophobicContact CE-CZ3 3.23Å; M125-W150 HydrophobicContact CG-CD2 4.47Å; Y129-W150 HydrophobicContact CD2-CB 3.68Å; Y129-W150 HydrophobicContact CD2-CG 4.14Å; Y129-W150 HydrophobicContact CE2-CB 3.64Å; V146-W150 PolarHBondContact O-N 3.18Å; T147-W150 PolarHBondContact O-N 3.04Å; W150-R152 VanDerWaalsContact C-N 3.31Å; W150-R152 PolarHBondContact O-N 3.1Å; W150-L153 HydrophobicContact CE3-CD1 4.44Å; W150-L153 PolarHBondContact O-N 3.09Å; W150-M154 HydrophobicContact CB-CE 4.12Å; W150-M154 HydrophobicContact CD2-CE 4.36Å; W150-M154 HydrophobicContact CE3-CE 3.82Å; W150-M154 VanDerWaalsContact O-CG 3.29Å; W150-M154 WeakPolarHBondContact O-CG 3.38Å; W150-M154 PolarHBondContact O-N 3.46Å; W150-V162 HydrophobicContact CH2-CG2 3.77Å; W150-V162 HydrophobicContact CZ2-CG2 4.05Å; W150-C218 HydrophobicContact CH2-CB 4.46Å; W150-C218 HydrophobicContact CZ3-CB 3.75Å; W150-I222 HydrophobicContact CH2-CD1 4.47Å
151D89.8Confident87.1Confident34 Ų3442 Ų4218%0.18220%0.203CC..Hα-helixtrans-58.7-43.9176.2-78.61.5000111.9Y129 T147 T149 L155 Q189Y129-D151 WeakPolarHBondContact CE2-OD1 3.44Å; Y129-D151 PolarHBondContact OH-OD1 3.33Å; T147-D151 WeakPolarHBondContact O-CB 3.35Å; T147-D151 VanDerWaalsContact O-CG 3.27Å; T147-D151 PolarHBondContact O-N 3.43Å; T149-D151 PolarHBondContact O-N 3.39Å; D151-L155 WeakPolarHBondContact O-CB 3.38Å; D151-L155 WeakPolarHBondContact O-CD1 3.42Å; D151-L155 WeakPolarHBondContact O-CG 3.32Å; D151-L155 PolarHBondContact O-N 3.22Å; D151-L155 VanDerWaalsContact O-N 3.16Å; D151-Q189 HydrophobicContact CB-CG 3.96Å; D151-Q189 VanDerWaalsContact OD1-CD 3.28Å; D151-Q189 PolarHBondContact OD1-NE2 3.28Å; D151-Q189 VanDerWaalsContact OD1-NE2 3.13Å; D151-Q189 PolarHBondContact OD2-NE2 3.49Å
152R88.7Confident87.7Confident77 Ų7737 Ų3729%0.29119%0.185SC..Hα-helixtrans-65.3-45.3177.1-172.4-172.368.3136.216111.4H41 S42 K148 T149 W150 L155 Q156H41-R152 PolarHBondContact O-NE 3.37Å; H41-R152 PolarHBondContact O-NH1 2.84Å; H41-R152 VanDerWaalsContact O-NH1 3.17Å; S42-R152 PolarHBondContact O-NH2 3.34Å; S42-R152 PolarHBondContact OG-NH1 2.95Å; S42-R152 PolarHBondContact OG-NH2 2.94Å; K148-R152 WeakPolarHBondContact O-CB 3.21Å; K148-R152 PolarHBondContact O-N 3.2Å; K148-R152 VanDerWaalsContact O-N 3.11Å; T149-R152 PolarHBondContact O-N 3.38Å; W150-R152 VanDerWaalsContact C-N 3.31Å; W150-R152 PolarHBondContact O-N 3.1Å; R152-L155 PolarHBondContact O-N 2.9Å; R152-Q156 WeakPolarHBondContact O-CB 3.14Å; R152-Q156 PolarHBondContact O-N 2.87Å
153L88.9Confident88.4Confident8 Ų839.2 Ų39.24%0.04220%0.199CC..Hα-helixtrans-61.4-48.7-179.9-72.9164.9000111.4L43 L46 T149 W150 L155 Q156 D157 I222L43-L153 HydrophobicContact CD2-CD1 4.19Å; L43-L153 HydrophobicContact CD2-CD2 4.39Å; L46-L153 HydrophobicContact CD1-CD1 3.92Å; T149-L153 HydrophobicContact CG2-CD1 3.9Å; T149-L153 HydrophobicContact CG2-CG 4.47Å; T149-L153 VanDerWaalsContact O-CG 3.29Å; T149-L153 WeakPolarHBondContact O-CG 3.49Å; T149-L153 PolarHBondContact O-N 3.45Å; W150-L153 HydrophobicContact CE3-CD1 4.44Å; W150-L153 PolarHBondContact O-N 3.09Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.11Å; L153-Q156 PolarHBondContact O-N 3.31Å; L153-D157 WeakPolarHBondContact O-CB 3.31Å; L153-D157 PolarHBondContact O-N 3.26Å; L153-I222 HydrophobicContact CD1-CD1 3.68Å; L153-I222 HydrophobicContact CD1-CG1 4.45Å; L153-I222 HydrophobicContact CD2-CD1 4.09Å; L153-I222 HydrophobicContact CD2-CG1 3.98Å; L153-I222 HydrophobicContact CG-CD1 4.38Å
154M90.3Very high88.8Confident0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-60-42.4179.1-68.3175.3-163.200112W150 N158 C159 W168 P187 Q189W150-M154 HydrophobicContact CB-CE 4.12Å; W150-M154 HydrophobicContact CD2-CE 4.36Å; W150-M154 HydrophobicContact CE3-CE 3.82Å; W150-M154 VanDerWaalsContact O-CG 3.29Å; W150-M154 WeakPolarHBondContact O-CG 3.38Å; W150-M154 PolarHBondContact O-N 3.46Å; M154-N158 WeakPolarHBondContact O-CA 3.25Å; M154-N158 PolarHBondContact O-N 3.01Å; M154-C159 VanDerWaalsContact CA-O 3.29Å; M154-C159 WeakPolarHBondContact CA-O 2.99Å; M154-C159 WeakPolarHBondContact CB-O 3.39Å; M154-C159 WeakPolarHBondContact CG-O 3.29Å; M154-C159 PolarHBondContact O-N 2.86Å; M154-W168 HydrophobicContact CE-CZ2 3.63Å; M154-P187 HydrophobicContact SD-CB 4.46Å; M154-Q189 HydrophobicContact CB-CB 3.98Å; M154-Q189 HydrophobicContact SD-CB 4.11Å
155L88.4Confident89Confident78 Ų7835.3 Ų35.341%0.40818%0.179SC..Hα-helixtrans-74.5-38.3-179.8-70.5172.9000113.8D151 R152 L153 Q189 M193D151-L155 WeakPolarHBondContact O-CB 3.38Å; D151-L155 WeakPolarHBondContact O-CD1 3.42Å; D151-L155 WeakPolarHBondContact O-CG 3.32Å; D151-L155 PolarHBondContact O-N 3.22Å; D151-L155 VanDerWaalsContact O-N 3.16Å; R152-L155 PolarHBondContact O-N 2.9Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.11Å; L155-Q189 HydrophobicContact CD1-CG 4.21Å; L155-Q189 HydrophobicContact CD2-CB 4.28Å; L155-Q189 HydrophobicContact CG-CB 4.1Å; L155-Q189 HydrophobicContact CG-CG 4.18Å; L155-M193 HydrophobicContact CD2-CE 3.9Å; L155-M193 HydrophobicContact CD2-CG 3.7Å
156Q87.7Confident89.2Confident122 Ų12237.4 Ų37.457%0.5719%0.19SC*.Hα-helixtrans-82.1-42.7-174.5-174.8178-40.900111.7R152 L153R152-Q156 WeakPolarHBondContact O-CB 3.14Å; R152-Q156 PolarHBondContact O-N 2.87Å; L153-Q156 PolarHBondContact O-N 3.31Å
157D86.7Confident89.4Confident57 Ų5737.6 Ų37.631%0.30519%0.192SC..Hα-helixtrans-97.53.8-174.2-58.6-37.2000112.3L153 C159 L221L153-D157 WeakPolarHBondContact O-CB 3.31Å; L153-D157 PolarHBondContact O-N 3.26Å; D157-C159 VanDerWaalsContact C-N 3.32Å; D157-C159 PolarHBondContact O-N 3.39Å; D157-L221 HydrophobicContact CB-CD1 4.04Å
158N90.1Very high89.3Confident89 Ų8936.8 Ų36.848%0.47619%0.186SC..THydrogen-bonded Turntrans54.647.1175.4-65.9-65000112.3M154 H214M154-N158 WeakPolarHBondContact O-CA 3.25Å; M154-N158 PolarHBondContact O-N 3.01Å; N158-H214 VanDerWaalsContact C-ND1 3.35Å; N158-H214 WeakPolarHBondContact CB-CE1 2.93Å; N158-H214 WeakPolarHBondContact O-CB 3.04Å; N158-H214 PolarHBondContact O-ND1 2.72Å; N158-H214 PolarHBondContact OD1-CE1 3.2Å
159C91.9Very high89.2Confident0 Ų034.9 Ų34.90%018%0.179CC..  trans-129.7164.4-17564.70000111M154 D157 Q216 C218 L221M154-C159 VanDerWaalsContact CA-O 3.29Å; M154-C159 WeakPolarHBondContact CA-O 2.99Å; M154-C159 WeakPolarHBondContact CB-O 3.39Å; M154-C159 WeakPolarHBondContact CG-O 3.29Å; M154-C159 PolarHBondContact O-N 2.86Å; D157-C159 VanDerWaalsContact C-N 3.32Å; D157-C159 PolarHBondContact O-N 3.39Å; C159-Q216 CarbonylContact C-O 3.56Å; C159-Q216 WeakPolarHBondContact CA-O 3.29Å; C159-Q216 WeakPolarHBondContact CB-O 3.4Å; C159-C218 HydrophobicContact CB-CB 3.89Å; C159-C218 WeakPolarHBondContact CB-SG 2.98Å; C159-C218 WeakPolarHBondContact SG-CA 3.46Å; C159-C218 WeakPolarHBondContact SG-CB 3.35Å; C159-C218 CovalentContact SG-SG 2.03Å; C159-C218 PolarHBondContact SG-SG 3.37Å; C159-L221 HydrophobicContact CB-CD1 3.67Å
160C92.3Very high89.1Confident0 Ų041.6 Ų41.60%021%0.208CC..  trans-142.4132.3177.4-174.40000111.8G164 P165 C190 H214 Q216C160-G164 CarbonylContact O-C 3.56Å; C160-G164 WeakPolarHBondContact O-CA 3.19Å; C160-P165 HydrophobicContact CB-CB 4.11Å; C160-C190 VanDerWaalsContact CA-SG 3.57Å; C160-C190 HydrophobicContact CB-CB 3.53Å; C160-C190 WeakPolarHBondContact CB-SG 3.29Å; C160-C190 WeakPolarHBondContact SG-CB 3.25Å; C160-C190 CovalentContact SG-SG 2.02Å; C160-C190 PolarHBondContact SG-SG 3.08Å; C160-H214 HydrophobicContact CB-CB 4.29Å; C160-H214 VanDerWaalsContact CB-O 3.25Å; C160-H214 WeakPolarHBondContact CB-O 3.28Å; C160-Q216 PolarHBondContact N-O 3.05Å
161G90.4Very high88.9Confident0 Ų045.7 Ų45.70%022%0.224CC..SBendtrans67.3-175.1-178.800000112.6C218G161-C218 VanDerWaalsContact O-CB 3.3Å; G161-C218 WeakPolarHBondContact O-CB 3.33Å; G161-C218 PolarHBondContact O-N 3.19Å; G161-C218 PolarHBondContact O-SG 2.98Å
162V90.9Very high88.5Confident2 Ų249.7 Ų49.71%0.01225%0.25CS..SBendtrans-81.8-59.2-179178.60000109P118 F121 L122 M125 W150 D167 G217 C218 Y219P118-V162 HydrophobicContact CB-CG1 3.87Å; P118-V162 WeakPolarHBondContact O-CG1 3.07Å; F121-V162 HydrophobicContact CB-CG1 4.34Å; F121-V162 HydrophobicContact CB-CG2 4.24Å; L122-V162 HydrophobicContact CB-CB 4.23Å; L122-V162 HydrophobicContact CB-CG1 4.37Å; L122-V162 HydrophobicContact CB-CG2 3.95Å; L122-V162 HydrophobicContact CD1-CB 4.23Å; L122-V162 HydrophobicContact CD1-CG2 4.08Å; M125-V162 HydrophobicContact CE-CB 4.32Å; M125-V162 HydrophobicContact CE-CG2 3.25Å; M125-V162 HydrophobicContact SD-CG2 4.05Å; W150-V162 HydrophobicContact CH2-CG2 3.77Å; W150-V162 HydrophobicContact CZ2-CG2 4.05Å; V162-D167 PolarHBondContact N-OD2 2.84Å; V162-G217 CarbonylContact O-C 3.02Å; V162-G217 VanDerWaalsContact O-CA 3.25Å; V162-G217 WeakPolarHBondContact O-CA 3.46Å; V162-C218 PolarHBondContact O-N 3.16Å; V162-Y219 HydrophobicContact CG1-CD2 4.45Å; V162-Y219 HydrophobicContact CG1-CG 4.21Å; V162-Y219 WeakPolarHBondContact O-CB 3.33Å; V162-Y219 PolarHBondContact O-N 3.37Å
163N91Very high88.2Confident87 Ų8746.2 Ų46.247%0.46524%0.238SC..SBendtrans-96.3-20.2177.6-55.3-59.3000111.4D167N163-D167 PolarHBondContact N-OD2 3.26Å
164G91.2Very high88Confident3 Ų346.7 Ų46.73%0.03124%0.242CC..  trans163.5178.517500000113C160 S166 D167C160-G164 CarbonylContact O-C 3.56Å; C160-G164 WeakPolarHBondContact O-CA 3.19Å; G164-S166 PolarHBondContact O-N 2.98Å; G164-S166 VanDerWaalsContact O-N 3.17Å; G164-D167 PolarHBondContact N-OD2 2.9Å; G164-D167 VanDerWaalsContact O-CB 3.29Å; G164-D167 WeakPolarHBondContact O-CB 3Å; G164-D167 PolarHBondContact O-N 3.4Å; G164-D167 VanDerWaalsContact O-N 3.09Å
165P87.9Confident87.7Confident8 Ų846.9 Ų46.95%0.05224%0.243CC..THydrogen-bonded Turntrans-63.4-23-179.420.3-28.8000113.7C160 D167 W168 W186 Y213C160-P165 HydrophobicContact CB-CB 4.11Å; P165-D167 PolarHBondContact O-N 3.18Å; P165-D167 VanDerWaalsContact O-N 3.17Å; P165-W168 PolarHBondContact O-N 3.39Å; P165-W186 HydrophobicContact CB-CD2 4.26Å; P165-W186 HydrophobicContact CB-CE3 3.8Å; P165-W186 HydrophobicContact CB-CZ3 4.05Å; P165-Y213 HydrophobicContact CB-CD2 4.42Å; P165-Y213 HydrophobicContact CG-CD2 3.98Å; P165-Y213 HydrophobicContact CG-CE2 3.68Å
166S88.7Confident87.4Confident62 Ų6247.2 Ų47.243%0.43424%0.239SC..Hα-helixtrans-61.6-20.7175.156.40000113.4G164 W168 Q169 K170G164-S166 PolarHBondContact O-N 2.98Å; G164-S166 VanDerWaalsContact O-N 3.17Å; S166-W168 PolarHBondContact O-N 2.78Å; S166-Q169 PolarHBondContact O-N 3.28Å; S166-Q169 VanDerWaalsContact O-N 3.13Å; S166-K170 WeakPolarHBondContact O-CB 3.15Å; S166-K170 PolarHBondContact O-N 2.99Å
167D89.5Confident87.1Confident5 Ų546.7 Ų46.73%0.02725%0.245CC..Hα-helixtrans-57.6-37.2178.9-69.1-20.5000111.5L122 V162 N163 G164 P165 Y171L122-D167 HydrophobicContact CD1-CB 3.72Å; V162-D167 PolarHBondContact N-OD2 2.84Å; N163-D167 PolarHBondContact N-OD2 3.26Å; G164-D167 PolarHBondContact N-OD2 2.9Å; G164-D167 VanDerWaalsContact O-CB 3.29Å; G164-D167 WeakPolarHBondContact O-CB 3Å; G164-D167 PolarHBondContact O-N 3.4Å; G164-D167 VanDerWaalsContact O-N 3.09Å; P165-D167 PolarHBondContact O-N 3.18Å; P165-D167 VanDerWaalsContact O-N 3.17Å; D167-Y171 WeakPolarHBondContact O-CD2 3.39Å; D167-Y171 PolarHBondContact O-N 3.12Å
168W86.6Confident86.8Confident2 Ų247.9 Ų47.91%0.00825%0.248CC..Hα-helixtrans-70-31178.8-60.5104.9000113.6M125 Y129 M154 P165 S166 F175 W186 P187M125-W168 HydrophobicContact CE-CZ2 4.24Å; M125-W168 HydrophobicContact CG-CH2 3.49Å; M125-W168 VanDerWaalsContact CG-CH2 3.49Å; M125-W168 HydrophobicContact CG-CZ2 3.8Å; M125-W168 HydrophobicContact CG-CZ3 4.35Å; M125-W168 HydrophobicContact SD-CH2 3.58Å; M125-W168 VanDerWaalsContact SD-CH2 3.58Å; M125-W168 HydrophobicContact SD-CZ2 3.27Å; M125-W168 WeakPolarHBondContact SD-CZ2 3.36Å; M125-W168 HydrophobicContact SD-CZ3 4.42Å; Y129-W168 AromaticContact CD1-CH2 3.28Å; Y129-W168 HydrophobicContact CD1-CH2 3.28Å; Y129-W168 HydrophobicContact CD1-CZ2 4.32Å; Y129-W168 AromaticContact CD1-CZ3 3.57Å; Y129-W168 HydrophobicContact CD1-CZ3 3.57Å; Y129-W168 HydrophobicContact CD2-CH2 4.24Å; Y129-W168 AromaticContact CE1-CH2 3.79Å; Y129-W168 HydrophobicContact CE1-CH2 3.79Å; Y129-W168 HydrophobicContact CE1-CZ2 4.48Å; Y129-W168 HydrophobicContact CE1-CZ3 4.19Å; Y129-W168 AromaticContact CG-CH2 3.55Å; Y129-W168 HydrophobicContact CG-CH2 3.55Å; Y129-W168 HydrophobicContact CG-CZ3 4.16Å; M154-W168 HydrophobicContact CE-CZ2 3.63Å; P165-W168 PolarHBondContact O-N 3.39Å; S166-W168 PolarHBondContact O-N 2.78Å; W168-F175 HydrophobicContact CE3-CB 4.28Å; W168-F175 AromaticContact CE3-CD1 3.94Å; W168-F175 HydrophobicContact CE3-CD1 3.94Å; W168-F175 HydrophobicContact CE3-CG 4.32Å; W168-F175 HydrophobicContact CZ3-CB 3.92Å; W168-F175 HydrophobicContact CZ3-CD1 4.31Å; W168-F175 HydrophobicContact CZ3-CG 4.23Å; W168-W186 HydrophobicContact CB-CB 4.11Å; W168-W186 HydrophobicContact CG-CB 3.92Å; W168-P187 HydrophobicContact CD2-CG 4.08Å; W168-P187 VanDerWaalsContact CE2-CD 3.43Å; W168-P187 HydrophobicContact CE3-CG 4.3Å; W168-P187 HydrophobicContact CH2-CG 3.94Å; W168-P187 HydrophobicContact CZ2-CG 3.68Å; W168-P187 HydrophobicContact CZ3-CG 4.23Å
169Q85.4Confident86.4Confident90 Ų9045.3 Ų45.342%0.42124%0.235SC..Hα-helixtrans-92-37.5-175.4-62.5176.5-11.300112.2S166 R176S166-Q169 PolarHBondContact O-N 3.28Å; S166-Q169 VanDerWaalsContact O-N 3.13Å; Q169-R176 PolarHBondContact O-NH1 3.34Å
170K85.4Confident85.8Confident147 Ų14750.4 Ų50.464%0.63926%0.262SS*.Hα-helixtrans-76.7-34.5-174.1-174.7179.6177.9-169.10112.3S166S166-K170 WeakPolarHBondContact O-CB 3.15Å; S166-K170 PolarHBondContact O-N 2.99Å
171Y84.4Confident85.1Confident88 Ų8853.5 Ų53.535%0.34528%0.278SS..SBendtrans-109.6156.2-177.1-58.5-76.1000111.3L122 L126 D167L122-Y171 HydrophobicContact CD2-CD2 4.36Å; L122-Y171 HydrophobicContact CD2-CE2 3.94Å; L126-Y171 HydrophobicContact CD1-CD2 4.16Å; L126-Y171 HydrophobicContact CD1-CG 3.88Å; D167-Y171 WeakPolarHBondContact O-CD2 3.39Å; D167-Y171 PolarHBondContact O-N 3.12Å
172T81.4Confident84.3Confident119 Ų11957 Ų5773%0.7331%0.307SS*.  trans-79.4121.6170.4-52.70000108.2
173S83.8Confident83.6Confident4 Ų460.9 Ų60.93%0.02833%0.328CS..  trans-118.4158.8175.660.40000111.2L126 F175 R176 T177L126-S173 CarbonylContact O-C 3.52Å; L126-S173 VanDerWaalsContact O-CA 3.25Å; L126-S173 WeakPolarHBondContact O-CA 3.41Å; L126-S173 WeakPolarHBondContact O-CB 3.38Å; S173-F175 PolarHBondContact O-N 2.89Å; S173-R176 PolarHBondContact O-N 3.33Å; S173-R176 VanDerWaalsContact OG-CB 3.26Å; S173-R176 WeakPolarHBondContact OG-CB 3.29Å; S173-R176 PolarHBondContact OG-N 3.21Å; S173-R176 VanDerWaalsContact OG-N 3.09Å; S173-T177 PolarHBondContact O-N 2.93Å; S173-T177 VanDerWaalsContact O-N 3.13Å; S173-T177 PolarHBondContact O-OG1 3.48Å
174A83.3Confident83.1Confident17 Ų1759.9 Ų59.914%0.1432%0.318CS..Hα-helixtrans-56.8-44.2170.500000110.6L126 N131 R176 T177 E178L126-A174 PolarHBondContact O-N 3.26Å; N131-A174 HydrophobicContact CB-CB 3.63Å; A174-R176 VanDerWaalsContact C-N 3.33Å; A174-R176 PolarHBondContact O-N 3.02Å; A174-T177 WeakPolarHBondContact O-CB 3.18Å; A174-T177 PolarHBondContact O-N 3.23Å; A174-E178 PolarHBondContact O-N 3.22Å
175F83.8Confident82.7Confident5 Ų560.4 Ų60.42%0.02232%0.321CS..Hα-helixtrans-50.8-48.3173.1176.1-102.8000113.5Y129 Q130 W168 S173 T177 E178 N179 Y184 P187Y129-F175 HydrophobicContact CD1-CB 4.12Å; Y129-F175 HydrophobicContact CD1-CD2 4.31Å; Y129-F175 HydrophobicContact CD1-CG 4.38Å; Y129-F175 HydrophobicContact CE1-CD2 4.02Å; Y129-F175 HydrophobicContact CE1-CG 4.41Å; Q130-F175 HydrophobicContact CB-CD2 4.16Å; Q130-F175 HydrophobicContact CG-CD2 4.44Å; W168-F175 HydrophobicContact CE3-CB 4.28Å; W168-F175 AromaticContact CE3-CD1 3.94Å; W168-F175 HydrophobicContact CE3-CD1 3.94Å; W168-F175 HydrophobicContact CE3-CG 4.32Å; W168-F175 HydrophobicContact CZ3-CB 3.92Å; W168-F175 HydrophobicContact CZ3-CD1 4.31Å; W168-F175 HydrophobicContact CZ3-CG 4.23Å; S173-F175 PolarHBondContact O-N 2.89Å; F175-T177 VanDerWaalsContact C-N 3.27Å; F175-T177 PolarHBondContact O-N 2.9Å; F175-E178 PolarHBondContact O-N 3.44Å; F175-N179 WeakPolarHBondContact CD2-ND2 3.22Å; F175-N179 HydrophobicContact CE1-CB 4.48Å; F175-N179 HydrophobicContact CE2-CB 4.37Å; F175-N179 WeakPolarHBondContact CE2-ND2 3.19Å; F175-N179 HydrophobicContact CZ-CB 4.25Å; F175-N179 WeakPolarHBondContact O-CB 3.49Å; F175-N179 PolarHBondContact O-N 3.34Å; F175-N179 PolarHBondContact O-ND2 2.84Å; F175-Y184 HydrophobicContact CZ-CD1 4.43Å; F175-P187 HydrophobicContact CE1-CG 4.36Å; F175-P187 HydrophobicContact CE2-CG 4.39Å; F175-P187 HydrophobicContact CZ-CG 4.23Å
176R83.6Confident82.8Confident84 Ų8460.8 Ų60.832%0.31732%0.321SS..Hα-helixtrans-70.6-23.1-179.4-174.4173.7-177.7-165.92.5113.5Q169 S173 A174 E178 D181Q169-R176 PolarHBondContact O-NH1 3.34Å; S173-R176 PolarHBondContact O-N 3.33Å; S173-R176 VanDerWaalsContact OG-CB 3.26Å; S173-R176 WeakPolarHBondContact OG-CB 3.29Å; S173-R176 PolarHBondContact OG-N 3.21Å; S173-R176 VanDerWaalsContact OG-N 3.09Å; A174-R176 VanDerWaalsContact C-N 3.33Å; A174-R176 PolarHBondContact O-N 3.02Å; R176-E178 VanDerWaalsContact C-N 3.32Å; R176-D181 WeakPolarHBondContact CG-OD1 3.24Å; R176-D181 IonicContact CZ-OD1 3.31Å; R176-D181 IonicContact CZ-OD2 3.01Å; R176-D181 VanDerWaalsContact CZ-OD2 3.31Å; R176-D181 IonicContact NE-OD1 2.76Å; R176-D181 PolarHBondContact NE-OD1 3.41Å; R176-D181 IonicContact NE-OD2 3.94Å; R176-D181 PolarHBondContact NE-OD2 3.41Å; R176-D181 IonicContact NH2-OD2 2.85Å; R176-D181 PolarHBondContact NH2-OD2 3.17Å
177T81.9Confident82.8Confident112 Ų11257.9 Ų57.969%0.68730%0.301SS*.Hα-helixtrans-73.3-32.4176.7-54.20000110.8S173 A174 F175S173-T177 PolarHBondContact O-N 2.93Å; S173-T177 VanDerWaalsContact O-N 3.13Å; S173-T177 PolarHBondContact O-OG1 3.48Å; A174-T177 WeakPolarHBondContact O-CB 3.18Å; A174-T177 PolarHBondContact O-N 3.23Å; F175-T177 VanDerWaalsContact C-N 3.27Å; F175-T177 PolarHBondContact O-N 2.9Å
178E78.4Confident82.7Confident81 Ų8162.6 Ų62.638%0.37932%0.318SS..Hα-helixtrans-92.8-26.9-179.7-61.7-171.4-166.100113.3N132 A174 F175 R176N132-E178 WeakPolarHBondContact CB-OE1 3.44Å; N132-E178 PolarHBondContact N-OE1 3.16Å; N132-E178 PolarHBondContact ND2-OE2 2.91Å; A174-E178 PolarHBondContact O-N 3.22Å; F175-E178 PolarHBondContact O-N 3.44Å; R176-E178 VanDerWaalsContact C-N 3.32Å
179N81.7Confident82.8Confident36 Ų3664 Ų6419%0.19333%0.325CS..SBendtrans-114.8135.3-176.1-61.7-86.1000111.9F175 Y184F175-N179 WeakPolarHBondContact CD2-ND2 3.22Å; F175-N179 HydrophobicContact CE1-CB 4.48Å; F175-N179 HydrophobicContact CE2-CB 4.37Å; F175-N179 WeakPolarHBondContact CE2-ND2 3.19Å; F175-N179 HydrophobicContact CZ-CB 4.25Å; F175-N179 WeakPolarHBondContact O-CB 3.49Å; F175-N179 PolarHBondContact O-N 3.34Å; F175-N179 PolarHBondContact O-ND2 2.84Å; N179-Y184 HydrophobicContact CB-CD2 4.25Å; N179-Y184 HydrophobicContact CB-CG 4.23Å
180N81.3Confident83Confident106 Ų10659.7 Ų59.757%0.56731%0.305SS*.  trans-74.4131.8177.9-172.33.6000111.2A182 D183 Y184N180-A182 PolarHBondContact O-N 3.36Å; N180-A182 PolarHBondContact OD1-N 3.3Å; N180-D183 PolarHBondContact O-N 2.95Å; N180-Y184 PolarHBondContact O-N 2.03Å
181D76Confident83.2Confident65 Ų6553 Ų5335%0.34828%0.276SS..THydrogen-bonded Turntrans-54.9-28.6-179.9-71.3-25000113R176R176-D181 WeakPolarHBondContact CG-OD1 3.24Å; R176-D181 IonicContact CZ-OD1 3.31Å; R176-D181 IonicContact CZ-OD2 3.01Å; R176-D181 VanDerWaalsContact CZ-OD2 3.31Å; R176-D181 IonicContact NE-OD1 2.76Å; R176-D181 PolarHBondContact NE-OD1 3.41Å; R176-D181 IonicContact NE-OD2 3.94Å; R176-D181 PolarHBondContact NE-OD2 3.41Å; R176-D181 IonicContact NH2-OD2 2.85Å; R176-D181 PolarHBondContact NH2-OD2 3.17Å
182A73.6Confident83.4Confident73 Ų7350.7 Ų50.760%0.60327%0.272SS*.THydrogen-bonded Turntrans-68.6-34.5179.200000113.5N180N180-A182 PolarHBondContact O-N 3.36Å; N180-A182 PolarHBondContact OD1-N 3.3Å
183D77.6Confident83.7Confident84 Ų8447.8 Ų47.845%0.44925%0.25SS..THydrogen-bonded Turntrans-99.3-26.3-178.9-72.2-50.4000112.2N180 K206N180-D183 PolarHBondContact O-N 2.95Å; D183-K206 VanDerWaalsContact O-CE 3.24Å; D183-K206 WeakPolarHBondContact O-CE 3.2Å; D183-K206 IonicContact OD1-NZ 3.02Å
184Y79.5Confident83.7Confident67 Ų6751.1 Ų51.126%0.26327%0.268SS..  trans-142.974-173.6-64.9-91.2000111.7F175 N179 N180 W186 R188F175-Y184 HydrophobicContact CZ-CD1 4.43Å; N179-Y184 HydrophobicContact CB-CD2 4.25Å; N179-Y184 HydrophobicContact CB-CG 4.23Å; N180-Y184 PolarHBondContact O-N 2.03Å; Y184-W186 PolarHBondContact O-N 3.47Å; Y184-R188 HydrophobicContact CD1-CG 4.25Å; Y184-R188 HydrophobicContact CE1-CG 3.96Å; Y184-R188 PolarHBondContact OH-NH2 3.24Å
185P83.8Confident83.6Confident14 Ų1458.5 Ų58.59%0.09131%0.305CS..SBendtrans-65-21.4175.326.1-34.5000113.2
186W88.5Confident83.5Confident15 Ų1564.9 Ų64.96%0.05734%0.338CS..SBendtrans-158.2169.9173.848.164.3000109.1P165 W168 Y184 C190 C205 Y213P165-W186 HydrophobicContact CB-CD2 4.26Å; P165-W186 HydrophobicContact CB-CE3 3.8Å; P165-W186 HydrophobicContact CB-CZ3 4.05Å; W168-W186 HydrophobicContact CB-CB 4.11Å; W168-W186 HydrophobicContact CG-CB 3.92Å; Y184-W186 PolarHBondContact O-N 3.47Å; W186-C190 HydrophobicContact CG-CB 4.11Å; W186-C205 WeakPolarHBondContact CZ2-O 3.41Å; W186-C205 PolarHBondContact NE1-SG 2.9Å; W186-C205 VanDerWaalsContact NE1-SG 3.36Å; W186-Y213 HydrophobicContact CH2-CD1 4.41Å; W186-Y213 AromaticContact CH2-CD2 3.98Å; W186-Y213 HydrophobicContact CH2-CD2 3.98Å; W186-Y213 HydrophobicContact CH2-CE2 4.35Å; W186-Y213 HydrophobicContact CH2-CG 4.02Å; W186-Y213 HydrophobicContact CZ2-CD1 4.28Å; W186-Y213 AromaticContact CZ2-CD2 3.93Å; W186-Y213 HydrophobicContact CZ2-CD2 3.93Å; W186-Y213 AromaticContact CZ2-CG 3.68Å; W186-Y213 HydrophobicContact CZ2-CG 3.68Å
187P89.3Confident83.3Confident1 Ų169.7 Ų69.71%0.00636%0.362CS..  trans-60.3145.6177.9-24.535.4000112.8Y129 M154 W168 F175 Q189 C190Y129-P187 HydrophobicContact CD1-CG 4.28Å; Y129-P187 HydrophobicContact CE1-CB 3.93Å; Y129-P187 HydrophobicContact CE1-CG 3.37Å; Y129-P187 VanDerWaalsContact OH-CB 3.25Å; Y129-P187 WeakPolarHBondContact OH-CB 3.16Å; M154-P187 HydrophobicContact SD-CB 4.46Å; W168-P187 HydrophobicContact CD2-CG 4.08Å; W168-P187 VanDerWaalsContact CE2-CD 3.43Å; W168-P187 HydrophobicContact CE3-CG 4.3Å; W168-P187 HydrophobicContact CH2-CG 3.94Å; W168-P187 HydrophobicContact CZ2-CG 3.68Å; W168-P187 HydrophobicContact CZ3-CG 4.23Å; F175-P187 HydrophobicContact CE1-CG 4.36Å; F175-P187 HydrophobicContact CE2-CG 4.39Å; F175-P187 HydrophobicContact CZ-CG 4.23Å; P187-Q189 PolarHBondContact O-N 2.95Å; P187-C190 VanDerWaalsContact O-CB 3.28Å; P187-C190 WeakPolarHBondContact O-CB 3.47Å; P187-C190 PolarHBondContact O-N 3.04Å
188R87.8Confident83.4Confident105 Ų10569.9 Ų69.940%0.39636%0.355SS..G310 helixtrans-59.7-25.3-177.7-67.5-172175.7-155.84.9113.1Y184 C190 C191 M193Y184-R188 HydrophobicContact CD1-CG 4.25Å; Y184-R188 HydrophobicContact CE1-CG 3.96Å; Y184-R188 PolarHBondContact OH-NH2 3.24Å; R188-C190 PolarHBondContact O-N 3.43Å; R188-C191 VanDerWaalsContact O-CB 3.28Å; R188-C191 WeakPolarHBondContact O-CB 3.45Å; R188-C191 PolarHBondContact O-N 2.85Å; R188-M193 VanDerWaalsContact O-CE 3.24Å; R188-M193 WeakPolarHBondContact O-CE 2.92Å
189Q88.4Confident83.6Confident31 Ų3167.7 Ų67.715%0.14535%0.347CS..G310 helixtrans-63.4-20.8176.8-64.281.7-15.400112.2D151 M154 L155 P187 C191D151-Q189 HydrophobicContact CB-CG 3.96Å; D151-Q189 VanDerWaalsContact OD1-CD 3.28Å; D151-Q189 PolarHBondContact OD1-NE2 3.28Å; D151-Q189 VanDerWaalsContact OD1-NE2 3.13Å; D151-Q189 PolarHBondContact OD2-NE2 3.49Å; M154-Q189 HydrophobicContact CB-CB 3.98Å; M154-Q189 HydrophobicContact SD-CB 4.11Å; L155-Q189 HydrophobicContact CD1-CG 4.21Å; L155-Q189 HydrophobicContact CD2-CB 4.28Å; L155-Q189 HydrophobicContact CG-CB 4.1Å; L155-Q189 HydrophobicContact CG-CG 4.18Å; P187-Q189 PolarHBondContact O-N 2.95Å; Q189-C191 VanDerWaalsContact C-N 3.32Å
190C89.6Confident83.8Confident0 Ų070.2 Ų70.20%036%0.36CS..G310 helixtrans-78.6-11.9172.3-68.10000114.1C160 W186 P187 R188 Y213 H214C160-C190 VanDerWaalsContact CA-SG 3.57Å; C160-C190 HydrophobicContact CB-CB 3.53Å; C160-C190 WeakPolarHBondContact CB-SG 3.29Å; C160-C190 WeakPolarHBondContact SG-CB 3.25Å; C160-C190 CovalentContact SG-SG 2.02Å; C160-C190 PolarHBondContact SG-SG 3.08Å; W186-C190 HydrophobicContact CG-CB 4.11Å; P187-C190 VanDerWaalsContact O-CB 3.28Å; P187-C190 WeakPolarHBondContact O-CB 3.47Å; P187-C190 PolarHBondContact O-N 3.04Å; R188-C190 PolarHBondContact O-N 3.43Å; C190-Y213 WeakPolarHBondContact O-CA 3.5Å; C190-H214 PolarHBondContact O-CD2 3.31Å; C190-H214 VanDerWaalsContact O-CD2 3.23Å; C190-H214 PolarHBondContact O-N 2.95Å
191C90.6Very high84Confident5 Ų568.7 Ų68.73%0.03435%0.352CS..BIsolated β-bridgetrans-81.2148.5175.9-60.60000111R188 Q189 M193 P199 C205R188-C191 VanDerWaalsContact O-CB 3.28Å; R188-C191 WeakPolarHBondContact O-CB 3.45Å; R188-C191 PolarHBondContact O-N 2.85Å; Q189-C191 VanDerWaalsContact C-N 3.32Å; C191-M193 PolarHBondContact O-N 3.22Å; C191-P199 HydrophobicContact CB-CB 4.13Å; C191-C205 WeakPolarHBondContact CA-SG 3.18Å; C191-C205 HydrophobicContact CB-CB 3.81Å; C191-C205 WeakPolarHBondContact CB-SG 3.36Å; C191-C205 WeakPolarHBondContact SG-CB 3.44Å; C191-C205 CovalentContact SG-SG 2.03Å; C191-C205 PolarHBondContact SG-SG 3.17Å
192V88.1Confident84.5Confident41 Ų4167.8 Ų67.825%0.24835%0.347CS..PPolyproline II helixtrans-67119.3174.4178.60000109.3P199 L200 F212V192-P199 WeakPolarHBondContact O-CA 3.46Å; V192-L200 PolarHBondContact O-N 2.86Å; V192-F212 PolarHBondContact N-O 3.38Å
193M87Confident85.1Confident57 Ų5769.3 Ų69.328%0.28134%0.342SS..BIsolated β-bridgetrans-93.2145.9-178.5-61.9-65.5-168.800112L155 R188 C191 E198 P199L155-M193 HydrophobicContact CD2-CE 3.9Å; L155-M193 HydrophobicContact CD2-CG 3.7Å; R188-M193 VanDerWaalsContact O-CE 3.24Å; R188-M193 WeakPolarHBondContact O-CE 2.92Å; C191-M193 PolarHBondContact O-N 3.22Å; M193-E198 CarbonylContact C-O 3.52Å; M193-E198 WeakPolarHBondContact CA-O 3.36Å; M193-E198 VanDerWaalsContact SD-C 3.56Å; M193-P199 HydrophobicContact SD-CB 4.28Å
194N84.4Confident85.5Confident74 Ų7465.9 Ų65.940%0.39633%0.325SS..PPolyproline II helixtrans-77.5171.5166.6-85.1-28.6000111.8L196 K197 E198 L200N194-L196 PolarHBondContact O-N 3.02Å; N194-K197 PolarHBondContact O-N 2.93Å; N194-E198 WeakPolarHBondContact CB-O 3.44Å; N194-E198 PolarHBondContact N-O 3.17Å; N194-L200 WeakPolarHBondContact OD1-CD1 3.45Å
195N81.1Confident85.9Confident172 Ų17262.7 Ų62.792%0.9231%0.313SS*.THydrogen-bonded Turntrans-56-19.5174.4-65.8-21.8000114.1
196L82.4Confident86.1Confident139 Ų13964.2 Ų64.273%0.72832%0.318SS*.THydrogen-bonded Turntrans-90.16.5176.4-61.6174.8000113.7N194 E198N194-L196 PolarHBondContact O-N 3.02Å; L196-E198 HydrophobicContact CB-CG 4.47Å; L196-E198 PolarHBondContact O-N 3.11Å
197K78.3Confident86Confident185 Ų18570.1 Ų70.180%0.80435%0.35SS*.SBendtrans61.326.3-173.6-59.2178.8176.71790114.4N194N194-K197 PolarHBondContact O-N 2.93Å
198E83.9Confident85.8Confident117 Ų11771.2 Ų71.255%0.54736%0.361SS..SBendtrans-107.5144.4174.1-63.7178.4145.600109.5M193 N194 L196 L200M193-E198 CarbonylContact C-O 3.52Å; M193-E198 WeakPolarHBondContact CA-O 3.36Å; M193-E198 VanDerWaalsContact SD-C 3.56Å; N194-E198 WeakPolarHBondContact CB-O 3.44Å; N194-E198 PolarHBondContact N-O 3.17Å; L196-E198 HydrophobicContact CB-CG 4.47Å; L196-E198 PolarHBondContact O-N 3.11Å; E198-L200 PolarHBondContact O-N 3.13Å
199P83.1Confident85.8Confident34 Ų3469 Ų6922%0.22136%0.359CS..BIsolated β-bridgetrans-62.8132.3178.425.1-32.6000110.3C191 V192 M193 N201 L202C191-P199 HydrophobicContact CB-CB 4.13Å; V192-P199 WeakPolarHBondContact O-CA 3.46Å; M193-P199 HydrophobicContact SD-CB 4.28Å; P199-N201 VanDerWaalsContact C-N 3.26Å; P199-N201 PolarHBondContact O-N 3.29Å; P199-L202 HydrophobicContact CB-CD1 4.46Å; P199-L202 HydrophobicContact CG-CB 4.09Å; P199-L202 HydrophobicContact CG-CD1 4Å
200L85.7Confident85.7Confident89 Ų8972.7 Ų72.747%0.46639%0.386SS..SBendtrans-53.7-44.8-178.9-179.977.1000111.7V192 N194 E198 F212V192-L200 PolarHBondContact O-N 2.86Å; N194-L200 WeakPolarHBondContact OD1-CD1 3.45Å; E198-L200 PolarHBondContact O-N 3.13Å; L200-F212 HydrophobicContact CD2-CD1 3.95Å; L200-F212 HydrophobicContact CD2-CE1 3.58Å; L200-F212 HydrophobicContact CG-CD1 4.46Å; L200-F212 HydrophobicContact CG-CE1 4.14Å
201N85.4Confident85.5Confident74 Ų7475.4 Ų75.440%0.39641%0.414SS..  trans-149.7106.1171.1-171.5-36.5000109.1P199 E203 A204 C205 F212P199-N201 VanDerWaalsContact C-N 3.26Å; P199-N201 PolarHBondContact O-N 3.29Å; N201-E203 PolarHBondContact O-N 3.17Å; N201-E203 PolarHBondContact OD1-N 3.09Å; N201-A204 HydrophobicContact CB-CB 3.92Å; N201-A204 PolarHBondContact OD1-N 3.49Å; N201-C205 PolarHBondContact O-N 2.91Å; N201-C205 VanDerWaalsContact O-N 3.07Å; N201-F212 HydrophobicContact CB-CD1 3.67Å; N201-F212 HydrophobicContact CB-CE1 3.59Å
202L85.5Confident85.4Confident46 Ų4678 Ų7824%0.24143%0.425CS..Hα-helixtrans-64-41.4-175.5-177.965.2000112.2P199 C205 K206P199-L202 HydrophobicContact CB-CD1 4.46Å; P199-L202 HydrophobicContact CG-CB 4.09Å; P199-L202 HydrophobicContact CG-CD1 4Å; L202-C205 PolarHBondContact O-N 3.33Å; L202-K206 WeakPolarHBondContact O-CG 3.49Å; L202-K206 PolarHBondContact O-N 3.09Å
203E86.4Confident85.5Confident105 Ų10578.1 Ų78.149%0.49142%0.421SS..Hα-helixtrans-70-40.1-177.9-64.6-58.8127.500111.5N201 C205 K206 L207N201-E203 PolarHBondContact O-N 3.17Å; N201-E203 PolarHBondContact OD1-N 3.09Å; E203-C205 VanDerWaalsContact C-N 3.31Å; E203-C205 PolarHBondContact O-N 3.17Å; E203-K206 PolarHBondContact O-N 2.84Å; E203-K206 IonicContact OE1-NZ 3.9Å; E203-K206 PolarHBondContact OE1-NZ 2.74Å; E203-L207 WeakPolarHBondContact O-CB 3.45Å; E203-L207 WeakPolarHBondContact O-CG 3.37Å; E203-L207 PolarHBondContact O-N 2.91Å
204A86.1Confident85.6Confident12 Ų1276.5 Ų76.510%0.09941%0.413CS..Hα-helixtrans-64.9-35.6174.200000112.2N201 G208 V209 F212N201-A204 HydrophobicContact CB-CB 3.92Å; N201-A204 PolarHBondContact OD1-N 3.49Å; A204-G208 PolarHBondContact O-N 3.19Å; A204-V209 HydrophobicContact CB-CB 4.24Å; A204-V209 HydrophobicContact CB-CG2 4.24Å; A204-V209 WeakPolarHBondContact O-CB 3.48Å; A204-V209 WeakPolarHBondContact O-CG2 3.42Å; A204-V209 PolarHBondContact O-N 2.98Å; A204-F212 HydrophobicContact CB-CB 3.99Å; A204-F212 HydrophobicContact CB-CD1 3.96Å; A204-F212 HydrophobicContact CB-CD2 3.66Å; A204-F212 HydrophobicContact CB-CE1 4.35Å; A204-F212 HydrophobicContact CB-CE2 4.08Å; A204-F212 HydrophobicContact CB-CG 3.59Å; A204-F212 HydrophobicContact CB-CZ 4.4Å
205C88.3Confident85.8Confident1 Ų178.2 Ų78.21%0.00742%0.422CS..Hα-helixtrans-65.5-49172.9-177.60000111.4W186 C191 N201 L202 E203 L207 G208 F212W186-C205 WeakPolarHBondContact CZ2-O 3.41Å; W186-C205 PolarHBondContact NE1-SG 2.9Å; W186-C205 VanDerWaalsContact NE1-SG 3.36Å; C191-C205 WeakPolarHBondContact CA-SG 3.18Å; C191-C205 HydrophobicContact CB-CB 3.81Å; C191-C205 WeakPolarHBondContact CB-SG 3.36Å; C191-C205 WeakPolarHBondContact SG-CB 3.44Å; C191-C205 CovalentContact SG-SG 2.03Å; C191-C205 PolarHBondContact SG-SG 3.17Å; N201-C205 PolarHBondContact O-N 2.91Å; N201-C205 VanDerWaalsContact O-N 3.07Å; L202-C205 PolarHBondContact O-N 3.33Å; E203-C205 VanDerWaalsContact C-N 3.31Å; E203-C205 PolarHBondContact O-N 3.17Å; C205-L207 VanDerWaalsContact C-N 3.26Å; C205-L207 PolarHBondContact O-N 3.15Å; C205-G208 PolarHBondContact O-N 2.94Å; C205-F212 HydrophobicContact CB-CB 4.48Å
206K87.5Confident86.3Confident45 Ų4576.1 Ų76.120%0.19641%0.407CS..Hα-helixtrans-56.9-39.7177.8-72.1173.7-179.2176.30112.6D183 L202 E203 G208D183-K206 VanDerWaalsContact O-CE 3.24Å; D183-K206 WeakPolarHBondContact O-CE 3.2Å; D183-K206 IonicContact OD1-NZ 3.02Å; L202-K206 WeakPolarHBondContact O-CG 3.49Å; L202-K206 PolarHBondContact O-N 3.09Å; E203-K206 PolarHBondContact O-N 2.84Å; E203-K206 IonicContact OE1-NZ 3.9Å; E203-K206 PolarHBondContact OE1-NZ 2.74Å; K206-G208 PolarHBondContact O-N 3.42Å
207L87.1Confident86.7Confident140 Ų14069.9 Ų69.973%0.73338%0.376SS*.THydrogen-bonded Turntrans-75.2-4.6178.6-69.4171.8000113.6E203 C205 V209E203-L207 WeakPolarHBondContact O-CB 3.45Å; E203-L207 WeakPolarHBondContact O-CG 3.37Å; E203-L207 PolarHBondContact O-N 2.91Å; C205-L207 VanDerWaalsContact C-N 3.26Å; C205-L207 PolarHBondContact O-N 3.15Å; L207-V209 VanDerWaalsContact C-N 3.35Å; L207-V209 HydrophobicContact CB-CG2 4.11Å
208G85.3Confident87.3Confident23 Ų2361 Ų6124%0.23734%0.338CS..THydrogen-bonded Turntrans67.433-177.900000113.4A204 C205 K206 Y213A204-G208 PolarHBondContact O-N 3.19Å; C205-G208 PolarHBondContact O-N 2.94Å; K206-G208 PolarHBondContact O-N 3.42Å; G208-Y213 VanDerWaalsContact O-CE1 3.31Å; G208-Y213 WeakPolarHBondContact O-CE1 3.09Å
209V88.4Confident87.5Confident58 Ų5857.9 Ų57.935%0.35232%0.321SS..  trans-68.6126.8176.9-178.70000109.3A204 L207 G211 F212 Y213A204-V209 HydrophobicContact CB-CB 4.24Å; A204-V209 HydrophobicContact CB-CG2 4.24Å; A204-V209 WeakPolarHBondContact O-CB 3.48Å; A204-V209 WeakPolarHBondContact O-CG2 3.42Å; A204-V209 PolarHBondContact O-N 2.98Å; L207-V209 VanDerWaalsContact C-N 3.35Å; L207-V209 HydrophobicContact CB-CG2 4.11Å; V209-G211 PolarHBondContact O-N 3.04Å; V209-F212 HydrophobicContact CB-CD2 4.08Å; V209-F212 HydrophobicContact CG1-CD2 3.92Å; V209-F212 HydrophobicContact CG1-CE2 4.25Å; V209-F212 PolarHBondContact O-N 3.34Å; V209-Y213 WeakPolarHBondContact O-CD1 3.36Å
210P85.6Confident87.6Confident109 Ų10963.9 Ų63.971%0.70835%0.346SS*.THydrogen-bonded Turntrans-54.1132.2178.8-24.732.9000111.8
211G84.9Confident87.5Confident58 Ų5863 Ų6360%0.59834%0.342SS*.THydrogen-bonded Turntrans95.5-9.2-179.600000115.5V209V209-G211 PolarHBondContact O-N 3.04Å
212F88.9Confident87.4Confident59 Ų5960.1 Ų60.126%0.25933%0.326SS..SBendtrans-108.1-4175.1-67.6-84.9000114V192 L200 N201 A204 C205 V209V192-F212 PolarHBondContact N-O 3.38Å; L200-F212 HydrophobicContact CD2-CD1 3.95Å; L200-F212 HydrophobicContact CD2-CE1 3.58Å; L200-F212 HydrophobicContact CG-CD1 4.46Å; L200-F212 HydrophobicContact CG-CE1 4.14Å; N201-F212 HydrophobicContact CB-CD1 3.67Å; N201-F212 HydrophobicContact CB-CE1 3.59Å; A204-F212 HydrophobicContact CB-CB 3.99Å; A204-F212 HydrophobicContact CB-CD1 3.96Å; A204-F212 HydrophobicContact CB-CD2 3.66Å; A204-F212 HydrophobicContact CB-CE1 4.35Å; A204-F212 HydrophobicContact CB-CE2 4.08Å; A204-F212 HydrophobicContact CB-CG 3.59Å; A204-F212 HydrophobicContact CB-CZ 4.4Å; C205-F212 HydrophobicContact CB-CB 4.48Å; V209-F212 HydrophobicContact CB-CD2 4.08Å; V209-F212 HydrophobicContact CG1-CD2 3.92Å; V209-F212 HydrophobicContact CG1-CE2 4.25Å; V209-F212 PolarHBondContact O-N 3.34Å
213Y89.1Confident87.2Confident44 Ų4459.3 Ų59.317%0.17332%0.324CS..BIsolated β-bridgetrans-138.5157.2175.477.4-80.5000111.1P165 W186 C190 G208 V209 N215P165-Y213 HydrophobicContact CB-CD2 4.42Å; P165-Y213 HydrophobicContact CG-CD2 3.98Å; P165-Y213 HydrophobicContact CG-CE2 3.68Å; W186-Y213 HydrophobicContact CH2-CD1 4.41Å; W186-Y213 AromaticContact CH2-CD2 3.98Å; W186-Y213 HydrophobicContact CH2-CD2 3.98Å; W186-Y213 HydrophobicContact CH2-CE2 4.35Å; W186-Y213 HydrophobicContact CH2-CG 4.02Å; W186-Y213 HydrophobicContact CZ2-CD1 4.28Å; W186-Y213 AromaticContact CZ2-CD2 3.93Å; W186-Y213 HydrophobicContact CZ2-CD2 3.93Å; W186-Y213 AromaticContact CZ2-CG 3.68Å; W186-Y213 HydrophobicContact CZ2-CG 3.68Å; C190-Y213 WeakPolarHBondContact O-CA 3.5Å; G208-Y213 VanDerWaalsContact O-CE1 3.31Å; G208-Y213 WeakPolarHBondContact O-CE1 3.09Å; V209-Y213 WeakPolarHBondContact O-CD1 3.36Å; Y213-N215 HydrophobicContact CD2-CB 4.5Å; Y213-N215 HydrophobicContact CE2-CB 3.74Å; Y213-N215 PolarHBondContact OH-OD1 3.39Å
214H90.3Very high86.9Confident23 Ų2356.2 Ų56.211%0.10632%0.321CS..  trans-83.5114.2176.2-62.6-62.9000110.9N158 C160 C190N158-H214 VanDerWaalsContact C-ND1 3.35Å; N158-H214 WeakPolarHBondContact CB-CE1 2.93Å; N158-H214 WeakPolarHBondContact O-CB 3.04Å; N158-H214 PolarHBondContact O-ND1 2.72Å; N158-H214 PolarHBondContact OD1-CE1 3.2Å; C160-H214 HydrophobicContact CB-CB 4.29Å; C160-H214 VanDerWaalsContact CB-O 3.25Å; C160-H214 WeakPolarHBondContact CB-O 3.28Å; C190-H214 PolarHBondContact O-CD2 3.31Å; C190-H214 VanDerWaalsContact O-CD2 3.23Å; C190-H214 PolarHBondContact O-N 2.95Å
215N89.1Confident86.5Confident109 Ų10959.1 Ų59.158%0.58334%0.338SS*.  trans-90.1-8.3-177.4-165.844.8000114Y213Y213-N215 HydrophobicContact CD2-CB 4.5Å; Y213-N215 HydrophobicContact CE2-CB 3.74Å; Y213-N215 PolarHBondContact OH-OD1 3.39Å
216Q90.5Very high86Confident128 Ų12860.1 Ų60.160%0.59834%0.343SS*.SBendtrans-88.4138.7-179.6-67.7-176.9-25.800110.8C159 C160C159-Q216 CarbonylContact C-O 3.56Å; C159-Q216 WeakPolarHBondContact CA-O 3.29Å; C159-Q216 WeakPolarHBondContact CB-O 3.4Å; C160-Q216 PolarHBondContact N-O 3.05Å
217G91.2Very high85.5Confident8 Ų861.9 Ų61.98%0.08236%0.355CS..  trans-72.1140.4172.100000111.8V162 Y219V162-G217 CarbonylContact O-C 3.02Å; V162-G217 VanDerWaalsContact O-CA 3.25Å; V162-G217 WeakPolarHBondContact O-CA 3.46Å; G217-Y219 VanDerWaalsContact C-N 3.27Å; G217-Y219 PolarHBondContact O-N 3.3Å
218C90.4Very high85.3Confident0 Ų065 Ų650%036%0.357CS..Hα-helixtrans-71.5-21.5-179.1-63.40000113.3W150 C159 G161 V162 E220 L221 I222W150-C218 HydrophobicContact CH2-CB 4.46Å; W150-C218 HydrophobicContact CZ3-CB 3.75Å; C159-C218 HydrophobicContact CB-CB 3.89Å; C159-C218 WeakPolarHBondContact CB-SG 2.98Å; C159-C218 WeakPolarHBondContact SG-CA 3.46Å; C159-C218 WeakPolarHBondContact SG-CB 3.35Å; C159-C218 CovalentContact SG-SG 2.03Å; C159-C218 PolarHBondContact SG-SG 3.37Å; G161-C218 VanDerWaalsContact O-CB 3.3Å; G161-C218 WeakPolarHBondContact O-CB 3.33Å; G161-C218 PolarHBondContact O-N 3.19Å; G161-C218 PolarHBondContact O-SG 2.98Å; V162-C218 PolarHBondContact O-N 3.16Å; C218-E220 VanDerWaalsContact C-N 3.34Å; C218-E220 PolarHBondContact O-N 3.01Å; C218-L221 PolarHBondContact O-N 3.27Å; C218-L221 VanDerWaalsContact O-N 3.16Å; C218-I222 HydrophobicContact CB-CD1 3.97Å; C218-I222 WeakPolarHBondContact O-CD1 3.27Å; C218-I222 VanDerWaalsContact O-CG1 3.26Å; C218-I222 WeakPolarHBondContact O-CG1 3.46Å; C218-I222 PolarHBondContact O-N 3.4Å
219Y88.6Confident84.9Confident50 Ų5069.1 Ų69.120%0.19637%0.37CS..Hα-helixtrans-63.1-38-176.1174.4-96.1000112.9F116 P118 F121 V162 G217 L221 I222 S223F116-Y219 WeakPolarHBondContact O-CE2 3.27Å; F116-Y219 VanDerWaalsContact O-CZ 3.25Å; F116-Y219 PolarHBondContact O-OH 2.95Å; P118-Y219 HydrophobicContact CB-CD1 3.91Å; P118-Y219 HydrophobicContact CB-CD2 4.03Å; P118-Y219 HydrophobicContact CB-CE1 4.09Å; P118-Y219 HydrophobicContact CB-CE2 4.21Å; P118-Y219 HydrophobicContact CB-CG 3.89Å; P118-Y219 HydrophobicContact CG-CD1 4.47Å; P118-Y219 HydrophobicContact CG-CE1 4.23Å; F121-Y219 AromaticContact CD2-CD2 4Å; F121-Y219 HydrophobicContact CD2-CD2 4Å; F121-Y219 HydrophobicContact CD2-CE2 4.08Å; F121-Y219 HydrophobicContact CE2-CE2 4.3Å; V162-Y219 HydrophobicContact CG1-CD2 4.45Å; V162-Y219 HydrophobicContact CG1-CG 4.21Å; V162-Y219 WeakPolarHBondContact O-CB 3.33Å; V162-Y219 PolarHBondContact O-N 3.37Å; G217-Y219 VanDerWaalsContact C-N 3.27Å; G217-Y219 PolarHBondContact O-N 3.3Å; Y219-L221 PolarHBondContact O-N 2.94Å; Y219-I222 PolarHBondContact O-N 3.11Å; Y219-S223 WeakPolarHBondContact O-CB 3.42Å; Y219-S223 PolarHBondContact O-N 2.9Å; Y219-S223 PolarHBondContact O-OG 3.34Å
220E84.6Confident84.4Confident161 Ų16168.3 Ų68.375%0.75237%0.369SS*.Hα-helixtrans-63.2-34.7177.4-66.3-167.416100111.9C218 S223C218-E220 VanDerWaalsContact C-N 3.34Å; C218-E220 PolarHBondContact O-N 3.01Å; E220-S223 PolarHBondContact O-OG 3.36Å
221L84.4Confident84.1Confident70 Ų7069 Ų6937%0.36636%0.357SS..Hα-helixtrans-75.5-36.3179.1-67.1158.8000112D157 C159 C218 Y219 P225D157-L221 HydrophobicContact CB-CD1 4.04Å; C159-L221 HydrophobicContact CB-CD1 3.67Å; C218-L221 PolarHBondContact O-N 3.27Å; C218-L221 VanDerWaalsContact O-N 3.16Å; Y219-L221 PolarHBondContact O-N 2.94Å; L221-P225 WeakPolarHBondContact O-CD 3.39Å
222I82.4Confident83.9Confident14 Ų1468.2 Ų68.27%0.07235%0.349CS..Hα-helixtrans-79.3-41.3-179.6-64161.8000111.7L43 W150 L153 C218 Y219 G224 P225 M226L43-I222 HydrophobicContact CD1-CG2 4.24Å; L43-I222 HydrophobicContact CD2-CG2 3.98Å; W150-I222 HydrophobicContact CH2-CD1 4.47Å; L153-I222 HydrophobicContact CD1-CD1 3.68Å; L153-I222 HydrophobicContact CD1-CG1 4.45Å; L153-I222 HydrophobicContact CD2-CD1 4.09Å; L153-I222 HydrophobicContact CD2-CG1 3.98Å; L153-I222 HydrophobicContact CG-CD1 4.38Å; C218-I222 HydrophobicContact CB-CD1 3.97Å; C218-I222 WeakPolarHBondContact O-CD1 3.27Å; C218-I222 VanDerWaalsContact O-CG1 3.26Å; C218-I222 WeakPolarHBondContact O-CG1 3.46Å; C218-I222 PolarHBondContact O-N 3.4Å; Y219-I222 PolarHBondContact O-N 3.11Å; I222-G224 VanDerWaalsContact C-N 3.34Å; I222-G224 PolarHBondContact O-N 2.95Å; I222-P225 WeakPolarHBondContact O-CD 3.42Å; I222-M226 HydrophobicContact CG2-CG 4.45Å; I222-M226 HydrophobicContact CG2-SD 3.42Å; I222-M226 WeakPolarHBondContact CG2-SD 3.06Å; I222-M226 PolarHBondContact O-N 3.45Å
223S80.8Confident83.5Confident28 Ų2868 Ų6820%0.19635%0.353CS..Hα-helixtrans-67-32.2-17459.30000112.9Y219 E220 N227Y219-S223 WeakPolarHBondContact O-CB 3.42Å; Y219-S223 PolarHBondContact O-N 2.9Å; Y219-S223 PolarHBondContact O-OG 3.34Å; E220-S223 PolarHBondContact O-OG 3.36Å; S223-N227 WeakPolarHBondContact O-CB 3.25Å; S223-N227 PolarHBondContact O-N 2.02Å
224G80.9Confident83.2Confident41 Ų4168 Ų6842%0.42336%0.363SS..Hα-helixtrans-58.9-61.8177.500000113.1I222 M226 N227 R228I222-G224 VanDerWaalsContact C-N 3.34Å; I222-G224 PolarHBondContact O-N 2.95Å; G224-M226 PolarHBondContact O-N 3.31Å; G224-N227 PolarHBondContact O-N 2.72Å; G224-R228 PolarHBondContact O-N 3.25Å; G224-R228 VanDerWaalsContact O-N 3.07Å
225P78.9Confident83Confident72 Ų7275.3 Ų75.347%0.46839%0.389SS..Hα-helixtrans-56.2-46.6175.4-26.334.7000112.9L221 I222 N227 R228 H229L221-P225 WeakPolarHBondContact O-CD 3.39Å; I222-P225 WeakPolarHBondContact O-CD 3.42Å; P225-N227 PolarHBondContact O-N 3.03Å; P225-R228 WeakPolarHBondContact O-CB 3.46Å; P225-R228 PolarHBondContact O-N 2.9Å; P225-H229 PolarHBondContact O-CD2 2.95Å; P225-H229 PolarHBondContact O-N 3.32Å
226M76.8Confident82.8Confident23 Ų2373.3 Ų73.311%0.11338%0.375CS..Hα-helixtrans-60.2-46.2179.7-82.9172.564.700112.5L43 F116 F121 I222 G224 R228 H229 A230L43-M226 HydrophobicContact CD1-CG 3.9Å; L43-M226 HydrophobicContact CD1-SD 3.72Å; F116-M226 HydrophobicContact CD1-CE 3.02Å; F116-M226 HydrophobicContact CD2-CE 4.31Å; F116-M226 HydrophobicContact CE1-CE 2.94Å; F116-M226 HydrophobicContact CE2-CE 4.23Å; F116-M226 HydrophobicContact CG-CE 3.75Å; F116-M226 HydrophobicContact CZ-CE 3.59Å; F121-M226 HydrophobicContact CZ-CE 4.17Å; I222-M226 HydrophobicContact CG2-CG 4.45Å; I222-M226 HydrophobicContact CG2-SD 3.42Å; I222-M226 WeakPolarHBondContact CG2-SD 3.06Å; I222-M226 PolarHBondContact O-N 3.45Å; G224-M226 PolarHBondContact O-N 3.31Å; M226-R228 VanDerWaalsContact C-N 3.31Å; M226-R228 PolarHBondContact O-N 3.31Å; M226-H229 PolarHBondContact O-N 3.41Å; M226-A230 WeakPolarHBondContact O-CB 3.43Å; M226-A230 PolarHBondContact O-N 2.87Å
227N78.1Confident82.6Confident81 Ų8167.8 Ų67.843%0.43335%0.353SS..Hα-helixtrans-61.8-41.5177.8-172.846.1000110.6S223 G224 P225 H229 A230 W231S223-N227 WeakPolarHBondContact O-CB 3.25Å; S223-N227 PolarHBondContact O-N 2.02Å; G224-N227 PolarHBondContact O-N 2.72Å; P225-N227 PolarHBondContact O-N 3.03Å; N227-H229 PolarHBondContact O-N 2.86Å; N227-A230 PolarHBondContact O-N 3.41Å; N227-W231 WeakPolarHBondContact O-CB 3.24Å; N227-W231 PolarHBondContact O-N 2.86Å; N227-W231 PolarHBondContact OD1-NE1 3.1Å; N227-W231 VanDerWaalsContact OD1-NE1 3.14Å
228R81.6Confident82.5Confident206 Ų20672.5 Ų72.578%0.77737%0.371SS*.Hα-helixtrans-60.7-44.3176.9-173.5174.9-175.2145.91.1112.5G224 P225 M226 G232G224-R228 PolarHBondContact O-N 3.25Å; G224-R228 VanDerWaalsContact O-N 3.07Å; P225-R228 WeakPolarHBondContact O-CB 3.46Å; P225-R228 PolarHBondContact O-N 2.9Å; M226-R228 VanDerWaalsContact C-N 3.31Å; M226-R228 PolarHBondContact O-N 3.31Å; R228-G232 PolarHBondContact O-N 2.97Å
229H77.4Confident82.6Confident110 Ų11074.9 Ų74.951%0.50939%0.391SS..Hα-helixtrans-66.1-45.7176.1-72.6-66.2000111.7P225 M226 N227 W231 G232 V233P225-H229 PolarHBondContact O-CD2 2.95Å; P225-H229 PolarHBondContact O-N 3.32Å; M226-H229 PolarHBondContact O-N 3.41Å; N227-H229 PolarHBondContact O-N 2.86Å; H229-W231 VanDerWaalsContact C-N 3.35Å; H229-W231 PolarHBondContact O-N 2.95Å; H229-G232 WeakPolarHBondContact O-CA 3.34Å; H229-G232 PolarHBondContact O-N 2.98Å; H229-V233 WeakPolarHBondContact O-CG2 3.28Å; H229-V233 PolarHBondContact O-N 2.76Å
230A77.6Confident82.7Confident40 Ų4073.3 Ų73.333%0.33139%0.386SS..Hα-helixtrans-59.2-43.2178.200000112.4F116 M226 N227 G232 V233 A234F116-A230 HydrophobicContact CE2-CB 4.37Å; M226-A230 WeakPolarHBondContact O-CB 3.43Å; M226-A230 PolarHBondContact O-N 2.87Å; N227-A230 PolarHBondContact O-N 3.41Å; A230-G232 VanDerWaalsContact C-N 3.34Å; A230-V233 PolarHBondContact O-N 3.39Å; A230-A234 WeakPolarHBondContact O-CB 3.02Å; A230-A234 PolarHBondContact O-N 3.41Å
231W79.3Confident83Confident123 Ų12366.5 Ų66.547%0.46635%0.354SS..Hα-helixtrans-64.3-38173.4-85.7100.5000112.6R113 N227 H229 A234 W235R113-W231 VanDerWaalsContact NH1-NE1 3.11Å; R113-W231 VanDerWaalsContact NH2-CZ2 3.35Å; N227-W231 WeakPolarHBondContact O-CB 3.24Å; N227-W231 PolarHBondContact O-N 2.86Å; N227-W231 PolarHBondContact OD1-NE1 3.1Å; N227-W231 VanDerWaalsContact OD1-NE1 3.14Å; H229-W231 VanDerWaalsContact C-N 3.35Å; H229-W231 PolarHBondContact O-N 2.95Å; W231-A234 PolarHBondContact O-N 3.43Å; W231-W235 WeakPolarHBondContact O-CB 3.06Å; W231-W235 PolarHBondContact O-N 3.38Å
232G81.9Confident83.5Confident42 Ų4265.7 Ų65.743%0.43335%0.354SS..Hα-helixtrans-58.9-51.4174.500000112R228 H229 A230 A234 W235 F236R228-G232 PolarHBondContact O-N 2.97Å; H229-G232 WeakPolarHBondContact O-CA 3.34Å; H229-G232 PolarHBondContact O-N 2.98Å; A230-G232 VanDerWaalsContact C-N 3.34Å; G232-A234 PolarHBondContact O-N 3.27Å; G232-W235 PolarHBondContact O-N 3.39Å; G232-F236 WeakPolarHBondContact O-CB 3.35Å; G232-F236 PolarHBondContact O-N 2.96Å
233V79.7Confident84Confident54 Ų5469.9 Ų69.933%0.32737%0.369SS..Hα-helixtrans-61.2-44.9177.7176.30000111.1E32 H229 A230 W235 F236 G237E32-V233 VanDerWaalsContact OE1-CG2 3.3Å; E32-V233 WeakPolarHBondContact OE1-CG2 3.37Å; H229-V233 WeakPolarHBondContact O-CG2 3.28Å; H229-V233 PolarHBondContact O-N 2.76Å; A230-V233 PolarHBondContact O-N 3.39Å; V233-W235 PolarHBondContact O-N 3.07Å; V233-F236 WeakPolarHBondContact O-CB 3.37Å; V233-F236 PolarHBondContact O-N 3.24Å; V233-G237 PolarHBondContact O-N 3.49Å
234A82.4Confident84.6Confident46 Ų4668.8 Ų68.838%0.3836%0.361SS..Hα-helixtrans-61.6-43.3179.400000112.4A230 W231 G232 G237 F238A230-A234 WeakPolarHBondContact O-CB 3.02Å; A230-A234 PolarHBondContact O-N 3.41Å; W231-A234 PolarHBondContact O-N 3.43Å; G232-A234 PolarHBondContact O-N 3.27Å; A234-G237 PolarHBondContact O-N 2.87Å; A234-F238 WeakPolarHBondContact O-CB 3.47Å; A234-F238 PolarHBondContact O-N 3.01Å
235W85.7Confident85.3Confident175 Ų17571.2 Ų71.266%0.66336%0.36SS*.Hα-helixtrans-70-36.2178.6-160.6-102.2000112.3W231 G232 V233 F238 A239W231-W235 WeakPolarHBondContact O-CB 3.06Å; W231-W235 PolarHBondContact O-N 3.38Å; G232-W235 PolarHBondContact O-N 3.39Å; V233-W235 PolarHBondContact O-N 3.07Å; W235-F238 PolarHBondContact O-N 3.29Å; W235-A239 WeakPolarHBondContact O-CB 3.25Å; W235-A239 PolarHBondContact O-N 3.32Å
236F86.4Confident86.1Confident67 Ų6776.4 Ų76.429%0.29437%0.37SS..Hα-helixtrans-61.4-48.7173.4179.1-108.8000111.5C25 A28 L29 G232 V233 F238 A239 I240C25-F236 HydrophobicContact CB-CZ 4.35Å; A28-F236 HydrophobicContact CB-CZ 4.2Å; L29-F236 HydrophobicContact CB-CE1 4.41Å; G232-F236 WeakPolarHBondContact O-CB 3.35Å; G232-F236 PolarHBondContact O-N 2.96Å; V233-F236 WeakPolarHBondContact O-CB 3.37Å; V233-F236 PolarHBondContact O-N 3.24Å; F236-F238 PolarHBondContact O-N 3.33Å; F236-A239 PolarHBondContact O-N 3.06Å; F236-I240 HydrophobicContact CD1-CD1 3.68Å; F236-I240 HydrophobicContact CD2-CD1 4.36Å; F236-I240 HydrophobicContact CE1-CD1 3.32Å; F236-I240 HydrophobicContact CE2-CD1 4.04Å; F236-I240 HydrophobicContact CG-CD1 4.2Å; F236-I240 HydrophobicContact CZ-CD1 3.53Å; F236-I240 HydrophobicContact CZ-CG1 4.45Å; F236-I240 WeakPolarHBondContact O-CG1 3.43Å; F236-I240 PolarHBondContact O-N 2.58Å
237G86.4Confident87Confident12 Ų1275.8 Ų75.812%0.12437%0.368CS..Hα-helixtrans-59.5-45.7175.500000112.8V233 A234 A239 I240 L241V233-G237 PolarHBondContact O-N 3.49Å; A234-G237 PolarHBondContact O-N 2.87Å; G237-A239 VanDerWaalsContact C-N 3.35Å; G237-A239 PolarHBondContact O-N 2.88Å; G237-I240 PolarHBondContact O-N 3.24Å; G237-L241 WeakPolarHBondContact O-CG 3.32Å; G237-L241 PolarHBondContact O-N 3.07Å
238F88.4Confident87.7Confident108 Ų10872.7 Ų72.747%0.47435%0.351SS..Hα-helixtrans-58.3-44.6175.3178.4-101.5000112.5A234 W235 F236 I240 L241 C242A234-F238 WeakPolarHBondContact O-CB 3.47Å; A234-F238 PolarHBondContact O-N 3.01Å; W235-F238 PolarHBondContact O-N 3.29Å; F236-F238 PolarHBondContact O-N 3.33Å; F238-I240 PolarHBondContact O-N 2.78Å; F238-L241 PolarHBondContact O-N 3.44Å; F238-C242 VanDerWaalsContact CZ-SG 3.53Å; F238-C242 PolarHBondContact O-N 2.94Å; F238-C242 PolarHBondContact O-SG 2.03Å
239A91.6Very high88.3Confident49 Ų4966.7 Ų66.741%0.40533%0.334SS..Hα-helixtrans-62.7-41.6178.500000112.1W235 F236 G237 C242 W243W235-A239 WeakPolarHBondContact O-CB 3.25Å; W235-A239 PolarHBondContact O-N 3.32Å; F236-A239 PolarHBondContact O-N 3.06Å; G237-A239 VanDerWaalsContact C-N 3.35Å; G237-A239 PolarHBondContact O-N 2.88Å; A239-C242 PolarHBondContact O-N 3.13Å; A239-W243 WeakPolarHBondContact O-CB 3.42Å; A239-W243 PolarHBondContact O-N 3.18Å
240I91.3Very high89.1Confident18 Ų1862.1 Ų62.19%0.09232%0.317CS..Hα-helixtrans-62.6-42.8175.8-68163.9000111C25 F236 G237 F238 W243 T244C25-I240 HydrophobicContact CB-CD1 3.71Å; C25-I240 HydrophobicContact CB-CG1 3.85Å; F236-I240 HydrophobicContact CD1-CD1 3.68Å; F236-I240 HydrophobicContact CD2-CD1 4.36Å; F236-I240 HydrophobicContact CE1-CD1 3.32Å; F236-I240 HydrophobicContact CE2-CD1 4.04Å; F236-I240 HydrophobicContact CG-CD1 4.2Å; F236-I240 HydrophobicContact CZ-CD1 3.53Å; F236-I240 HydrophobicContact CZ-CG1 4.45Å; F236-I240 WeakPolarHBondContact O-CG1 3.43Å; F236-I240 PolarHBondContact O-N 2.58Å; G237-I240 PolarHBondContact O-N 3.24Å; F238-I240 PolarHBondContact O-N 2.78Å; I240-W243 PolarHBondContact O-N 3.02Å; I240-T244 VanDerWaalsContact O-CB 3.23Å; I240-T244 WeakPolarHBondContact O-CB 3.33Å; I240-T244 PolarHBondContact O-N 3.47Å; I240-T244 PolarHBondContact O-OG1 3.01Å
241L91.5Very high89.8Confident18 Ų1860.2 Ų60.29%0.09430%0.301CS..Hα-helixtrans-61.9-48177.8-77172.4000111.6Y99 E102 V103 C106 G237 F238 W243 T244 F245Y99-L241 HydrophobicContact CD2-CD2 3.51Å; Y99-L241 HydrophobicContact CE2-CB 4.28Å; Y99-L241 HydrophobicContact CE2-CD2 3.44Å; Y99-L241 VanDerWaalsContact CE2-CD2 3.44Å; Y99-L241 HydrophobicContact CE2-CG 4.5Å; Y99-L241 HydrophobicContact CG-CD2 4.27Å; E102-L241 HydrophobicContact CB-CD2 3.74Å; E102-L241 HydrophobicContact CB-CG 4.45Å; V103-L241 HydrophobicContact CG2-CD1 4.08Å; V103-L241 HydrophobicContact CG2-CD2 3.98Å; C106-L241 HydrophobicContact CB-CD1 4.43Å; G237-L241 WeakPolarHBondContact O-CG 3.32Å; G237-L241 PolarHBondContact O-N 3.07Å; F238-L241 PolarHBondContact O-N 3.44Å; L241-W243 VanDerWaalsContact C-N 3.32Å; L241-W243 PolarHBondContact O-N 3.31Å; L241-T244 PolarHBondContact O-N 3.34Å; L241-F245 WeakPolarHBondContact O-CB 3.37Å; L241-F245 PolarHBondContact O-N 2.95Å
242C93.4Very high90.5Very high53 Ų5359.5 Ų59.536%0.35830%0.304SS..Hα-helixtrans-58.7-44175.8-70.60000111.9F238 A239 W246F238-C242 VanDerWaalsContact CZ-SG 3.53Å; F238-C242 PolarHBondContact O-N 2.94Å; F238-C242 PolarHBondContact O-SG 2.03Å; A239-C242 PolarHBondContact O-N 3.13Å; C242-W246 PolarHBondContact O-N 2.94Å
243W94.6Very high91Very high102 Ų10262.8 Ų62.839%0.38631%0.307SS..Hα-helixtrans-63.3-48.8177.3-177.4-99.4000112G18 I21 A239 I240 L241 F245 W246 V247G18-W243 PolarHBondContact O-NE1 3.13Å; G18-W243 VanDerWaalsContact O-NE1 3.1Å; I21-W243 HydrophobicContact CB-CZ2 4.39Å; I21-W243 HydrophobicContact CD1-CH2 3.93Å; I21-W243 HydrophobicContact CD1-CZ2 3.37Å; I21-W243 HydrophobicContact CG1-CZ2 4.43Å; A239-W243 WeakPolarHBondContact O-CB 3.42Å; A239-W243 PolarHBondContact O-N 3.18Å; I240-W243 PolarHBondContact O-N 3.02Å; L241-W243 VanDerWaalsContact C-N 3.32Å; L241-W243 PolarHBondContact O-N 3.31Å; W243-F245 VanDerWaalsContact C-N 3.29Å; W243-F245 PolarHBondContact O-N 3.09Å; W243-W246 PolarHBondContact O-N 3.21Å; W243-V247 WeakPolarHBondContact O-CG2 3.39Å; W243-V247 PolarHBondContact O-N 3.43Å; W243-V247 VanDerWaalsContact O-N 3.08Å
244T93.8Very high91.4Very high4 Ų460.9 Ų60.93%0.02529%0.294CS..Hα-helixtrans-60.4-38.9-179-60.70000111.7I22 M95 Y99 I240 L241 W246 V247 L248I22-T244 HydrophobicContact CD1-CG2 4.27Å; M95-T244 HydrophobicContact CE-CG2 3.6Å; M95-T244 HydrophobicContact CG-CG2 4.45Å; Y99-T244 HydrophobicContact CD2-CG2 4.14Å; I240-T244 VanDerWaalsContact O-CB 3.23Å; I240-T244 WeakPolarHBondContact O-CB 3.33Å; I240-T244 PolarHBondContact O-N 3.47Å; I240-T244 PolarHBondContact O-OG1 3.01Å; L241-T244 PolarHBondContact O-N 3.34Å; T244-W246 PolarHBondContact O-N 3.42Å; T244-V247 PolarHBondContact O-N 3.41Å; T244-L248 HydrophobicContact CG2-CD1 3.85Å; T244-L248 HydrophobicContact CG2-CG 4.27Å; T244-L248 WeakPolarHBondContact O-CB 3.32Å; T244-L248 WeakPolarHBondContact O-CG 3.26Å; T244-L248 PolarHBondContact O-N 3.41Å
245F94.4Very high91.8Very high93 Ų9362.7 Ų62.741%0.40829%0.291SS..Hα-helixtrans-57.2-47.2175.8176.2-101000112.3Y99 L241 W243 L248 L249Y99-F245 HydrophobicContact CE2-CB 4.45Å; L241-F245 WeakPolarHBondContact O-CB 3.37Å; L241-F245 PolarHBondContact O-N 2.95Å; W243-F245 VanDerWaalsContact C-N 3.29Å; W243-F245 PolarHBondContact O-N 3.09Å; F245-L248 PolarHBondContact O-N 3.45Å; F245-L249 HydrophobicContact CD1-CD1 4.05Å; F245-L249 HydrophobicContact CE1-CD1 3.37Å; F245-L249 HydrophobicContact CE1-CG 4.47Å; F245-L249 HydrophobicContact CE2-CD1 4.21Å; F245-L249 HydrophobicContact CZ-CD1 3.46Å; F245-L249 VanDerWaalsContact CZ-CD1 3.46Å; F245-L249 HydrophobicContact CZ-CG 4.31Å; F245-L249 PolarHBondContact O-N 2.87Å
246W95Very high91.9Very high180 Ų18057.6 Ų57.668%0.68228%0.282SS*.Hα-helixtrans-68.2-39.6178.5-72.6113.1000112.7C242 W243 T244 L248 L249 G250C242-W246 PolarHBondContact O-N 2.94Å; W243-W246 PolarHBondContact O-N 3.21Å; T244-W246 PolarHBondContact O-N 3.42Å; W246-L248 VanDerWaalsContact C-N 3.33Å; W246-L249 HydrophobicContact CE3-CD1 4.21Å; W246-L249 HydrophobicContact CZ3-CD1 4.26Å; W246-L249 PolarHBondContact O-N 3.01Å; W246-G250 PolarHBondContact O-N 3.19Å
247V95.5Very high91.8Very high10 Ų1062.9 Ų62.96%0.06130%0.3CS..Hα-helixtrans-63.1-41.6175.2175.80000110.8I22 W243 T244 G250 T251I22-V247 HydrophobicContact CD1-CB 4.04Å; I22-V247 HydrophobicContact CD1-CG1 3.98Å; I22-V247 HydrophobicContact CD1-CG2 4.16Å; W243-V247 WeakPolarHBondContact O-CG2 3.39Å; W243-V247 PolarHBondContact O-N 3.43Å; W243-V247 VanDerWaalsContact O-N 3.08Å; T244-V247 PolarHBondContact O-N 3.41Å; V247-G250 PolarHBondContact O-N 3.48Å; V247-T251 WeakPolarHBondContact O-CB 3.24Å; V247-T251 PolarHBondContact O-N 3.28Å; V247-T251 PolarHBondContact O-OG1 3.46Å
248L94.1Very high91.6Very high17 Ų1763.5 Ų63.59%0.08930%0.3CS..Hα-helixtrans-64.3-48176.6-78.8169.4000111.8Y91 F92 M95 T244 F245 W246 G250 T251 M252Y91-L248 HydrophobicContact CE1-CD2 3.77Å; F92-L248 HydrophobicContact CD1-CD2 3.88Å; F92-L248 HydrophobicContact CE1-CD2 4.28Å; M95-L248 HydrophobicContact CB-CD2 4.03Å; M95-L248 HydrophobicContact CG-CD1 4.02Å; M95-L248 HydrophobicContact CG-CD2 3.81Å; M95-L248 HydrophobicContact CG-CG 4.25Å; T244-L248 HydrophobicContact CG2-CD1 3.85Å; T244-L248 HydrophobicContact CG2-CG 4.27Å; T244-L248 WeakPolarHBondContact O-CB 3.32Å; T244-L248 WeakPolarHBondContact O-CG 3.26Å; T244-L248 PolarHBondContact O-N 3.41Å; F245-L248 PolarHBondContact O-N 3.45Å; W246-L248 VanDerWaalsContact C-N 3.33Å; L248-G250 VanDerWaalsContact C-N 3.33Å; L248-G250 PolarHBondContact O-N 3.44Å; L248-T251 PolarHBondContact O-N 2.91Å; L248-M252 WeakPolarHBondContact O-CB 3.39Å; L248-M252 VanDerWaalsContact O-CG 3.3Å; L248-M252 WeakPolarHBondContact O-CG 3.38Å; L248-M252 PolarHBondContact O-N 2.76Å
249L94.6Very high90.7Very high79 Ų7966.9 Ų66.941%0.41432%0.317SS..Hα-helixtrans-56.3-47.1175.3-95.5171.3000112F245 W246 T251 M252 F253F245-L249 HydrophobicContact CD1-CD1 4.05Å; F245-L249 HydrophobicContact CE1-CD1 3.37Å; F245-L249 HydrophobicContact CE1-CG 4.47Å; F245-L249 HydrophobicContact CE2-CD1 4.21Å; F245-L249 HydrophobicContact CZ-CD1 3.46Å; F245-L249 VanDerWaalsContact CZ-CD1 3.46Å; F245-L249 HydrophobicContact CZ-CG 4.31Å; F245-L249 PolarHBondContact O-N 2.87Å; W246-L249 HydrophobicContact CE3-CD1 4.21Å; W246-L249 HydrophobicContact CZ3-CD1 4.26Å; W246-L249 PolarHBondContact O-N 3.01Å; L249-T251 VanDerWaalsContact C-N 3.33Å; L249-T251 PolarHBondContact O-N 3Å; L249-M252 PolarHBondContact O-N 3.13Å; L249-F253 PolarHBondContact O-N 2.97Å
250G93.8Very high89Confident14 Ų1478 Ų7814%0.14435%0.351CS..Hα-helixtrans-62.7-40.5177.600000112.4W246 V247 L248 F253 Y254W246-G250 PolarHBondContact O-N 3.19Å; V247-G250 PolarHBondContact O-N 3.48Å; L248-G250 VanDerWaalsContact C-N 3.33Å; L248-G250 PolarHBondContact O-N 3.44Å; G250-F253 PolarHBondContact O-N 3.28Å; G250-Y254 PolarHBondContact O-N 3.37Å
251T92.6Very high88.9Confident0 Ų081 Ų810%036%0.364CS..Hα-helixtrans-69.4-38.3178-510000111L88 Y91 F92 V247 L248 L249 Y254 W255L88-T251 HydrophobicContact CD2-CG2 3.83Å; Y91-T251 HydrophobicContact CD1-CG2 4.38Å; Y91-T251 HydrophobicContact CE1-CG2 4.06Å; F92-T251 HydrophobicContact CE1-CG2 3.66Å; F92-T251 VanDerWaalsContact CZ-C 3.44Å; F92-T251 HydrophobicContact CZ-CG2 3.55Å; F92-T251 WeakPolarHBondContact CZ-O 3.36Å; V247-T251 WeakPolarHBondContact O-CB 3.24Å; V247-T251 PolarHBondContact O-N 3.28Å; V247-T251 PolarHBondContact O-OG1 3.46Å; L248-T251 PolarHBondContact O-N 2.91Å; L249-T251 VanDerWaalsContact C-N 3.33Å; L249-T251 PolarHBondContact O-N 3Å; T251-Y254 WeakPolarHBondContact O-CB 3.24Å; T251-Y254 PolarHBondContact O-N 3.49Å; T251-W255 WeakPolarHBondContact O-CB 3.4Å; T251-W255 PolarHBondContact O-N 3.26Å
252M93.2Very high88.8Confident109 Ų10984.3 Ų84.354%0.53738%0.378SS..Hα-helixtrans-63.8-42.4174.9-72.517877.300111.3F92 L248 L249 Y254 W255 S256F92-M252 HydrophobicContact CD1-CG 3.96Å; F92-M252 HydrophobicContact CE1-CB 4.39Å; F92-M252 HydrophobicContact CE1-CG 3.52Å; F92-M252 HydrophobicContact CE2-CG 4.32Å; F92-M252 HydrophobicContact CZ-CB 4.26Å; F92-M252 HydrophobicContact CZ-CG 3.74Å; L248-M252 WeakPolarHBondContact O-CB 3.39Å; L248-M252 VanDerWaalsContact O-CG 3.3Å; L248-M252 WeakPolarHBondContact O-CG 3.38Å; L248-M252 PolarHBondContact O-N 2.76Å; L249-M252 PolarHBondContact O-N 3.13Å; M252-Y254 VanDerWaalsContact C-N 3.35Å; M252-W255 PolarHBondContact O-N 3.3Å; M252-S256 PolarHBondContact O-N 3.15Å
253F91.8Very high88.5Confident110 Ų11086.1 Ų86.148%0.48238%0.379SS..Hα-helixtrans-59.3-46.5172.6178.5-99.3000111.1F11 L249 G250 W255 S256 R257F11-F253 AromaticContact CE1-CD1 3.81Å; F11-F253 HydrophobicContact CE1-CD1 3.81Å; F11-F253 HydrophobicContact CE1-CE1 4.45Å; F11-F253 AromaticContact CZ-CD1 3.87Å; F11-F253 HydrophobicContact CZ-CD1 3.87Å; L249-F253 PolarHBondContact O-N 2.97Å; G250-F253 PolarHBondContact O-N 3.28Å; F253-W255 PolarHBondContact O-N 2.85Å; F253-S256 PolarHBondContact O-N 2.78Å; F253-S256 PolarHBondContact O-OG 2.92Å; F253-R257 HydrophobicContact CE1-CG 4.46Å; F253-R257 HydrophobicContact CZ-CG 4.44Å; F253-R257 PolarHBondContact O-N 3.04Å
254Y90Very high88.2Confident15 Ų1585.1 Ų85.16%0.05938%0.379CS..Hα-helixtrans-57.2-47.8174.5179.9-112000112V8 F11 Q12 L15 I80 S83 L88 G250 T251 M252 S256 R257 I258V8-Y254 HydrophobicContact CG1-CE2 4.48Å; F11-Y254 HydrophobicContact CD1-CD2 4.22Å; Q12-Y254 HydrophobicContact CG-CD2 4.5Å; Q12-Y254 HydrophobicContact CG-CE2 3.7Å; Q12-Y254 PolarHBondContact NE2-OH 2.93Å; L15-Y254 HydrophobicContact CD1-CG 4.06Å; I80-Y254 HydrophobicContact CG2-CE1 4.32Å; S83-Y254 PolarHBondContact OG-OH 2.93Å; L88-Y254 HydrophobicContact CD1-CD1 4.05Å; L88-Y254 HydrophobicContact CD1-CE1 4.04Å; G250-Y254 PolarHBondContact O-N 3.37Å; T251-Y254 WeakPolarHBondContact O-CB 3.24Å; T251-Y254 PolarHBondContact O-N 3.49Å; M252-Y254 VanDerWaalsContact C-N 3.35Å; Y254-S256 VanDerWaalsContact C-N 3.29Å; Y254-S256 PolarHBondContact O-N 3.07Å; Y254-R257 PolarHBondContact O-N 3.29Å; Y254-I258 HydrophobicContact CD1-CD1 4.06Å; Y254-I258 HydrophobicContact CE1-CD1 3.66Å; Y254-I258 HydrophobicContact CE1-CG1 4.16Å; Y254-I258 PolarHBondContact O-N 3.39Å
255W89.5Confident87.8Confident84 Ų8490.2 Ų90.232%0.31840%0.401SS..Hα-helixtrans-61-35-179.818087.8000113.5R85 F92 T251 M252 F253 R257R85-W255 PolarHBondContact NH2-O 3.41Å; R85-W255 PolarHBondContact O-NE1 2.69Å; F92-W255 HydrophobicContact CE2-CB 3.75Å; F92-W255 HydrophobicContact CE2-CD2 4.41Å; F92-W255 AromaticContact CE2-CG 3.8Å; F92-W255 HydrophobicContact CE2-CG 3.8Å; F92-W255 HydrophobicContact CZ-CB 4.06Å; T251-W255 WeakPolarHBondContact O-CB 3.4Å; T251-W255 PolarHBondContact O-N 3.26Å; M252-W255 PolarHBondContact O-N 3.3Å; F253-W255 PolarHBondContact O-N 2.85Å; W255-R257 PolarHBondContact O-N 3.04Å
256S87.9Confident87.4Confident68 Ų6890 Ų9048%0.47640%0.4SS..Hα-helixtrans-66.1-24.2175.776.80000113.3M252 F253 Y254M252-S256 PolarHBondContact O-N 3.15Å; F253-S256 PolarHBondContact O-N 2.78Å; F253-S256 PolarHBondContact O-OG 2.92Å; Y254-S256 VanDerWaalsContact C-N 3.29Å; Y254-S256 PolarHBondContact O-N 3.07Å
257R85.3Confident86.8Confident178 Ų17883.6 Ų83.667%0.67238%0.38SS*.Hα-helixtrans-94.8-10.8-176.7-67.4-68.9-171.8150.8-0.1114.3F253 Y254 W255 E259F253-R257 HydrophobicContact CE1-CG 4.46Å; F253-R257 HydrophobicContact CZ-CG 4.44Å; F253-R257 PolarHBondContact O-N 3.04Å; Y254-R257 PolarHBondContact O-N 3.29Å; W255-R257 PolarHBondContact O-N 3.04Å; R257-E259 PolarHBondContact O-N 3.38Å
258I82.3Confident86.1Confident24 Ų2489.2 Ų89.212%0.12341%0.405CS..  trans-69.8115.3173.7-60.5171.6000107.4R85 L88 Y254R85-I258 HydrophobicContact CG-CB 4.08Å; R85-I258 HydrophobicContact CG-CD1 4.35Å; R85-I258 HydrophobicContact CG-CG2 3.74Å; R85-I258 PolarHBondContact NE-O 3.31Å; R85-I258 PolarHBondContact NH1-O 3.05Å; R85-I258 PolarHBondContact NH2-O 3.16Å; L88-I258 HydrophobicContact CD1-CD1 3.54Å; Y254-I258 HydrophobicContact CD1-CD1 4.06Å; Y254-I258 HydrophobicContact CE1-CD1 3.66Å; Y254-I258 HydrophobicContact CE1-CG1 4.16Å; Y254-I258 PolarHBondContact O-N 3.39Å
259E67.9Low85.5Confident179 Ų17995.3 Ų95.384%0.83643%0.431SS*.  trans-72.7161.5174.4-66.9-177.5171.500111.1R257R257-E259 PolarHBondContact O-N 3.38Å
260Y57Low84.7Confident283 Ų28396.7 Ų96.7100%1.1143%0.432SS*.  trans-63.80-174-87.5-85.6000113.9

Retrieved 260 of 260 residues in 476.9 ms (Link to these results)

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