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Kinetochore protein Nuf2

Acts as a component of the essential kinetochore-associated NDC80 complex, which is required for chromosome segregation and spindle checkpoint activity1,2,3,4,5,6,7. Required for kinetochore integrity and the organization of stable microtubule binding sites in the outer plate of the kinetochore8. The NDC80 complex synergistically enhances the affinity of the SKA1 complex for microtubules and may allow the NDC80 complex to track depolymerizing microtubules9.

AlphaFold DB , UniProt , Accession Q9BZD4, Species HUMAN (Homo sapiens, Human), Gene NUF2, Length 464 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
1M33.9Very low74.1Confident237 Ų23791.9 Ų91.9100%1.16748%0.483SS*.  0113.50-65-177.1-157.700106.5T3M1-T3 PolarHBondContact O-N 2.73Å
2E48Very low75.8Confident136 Ų13686.4 Ų86.464%0.63646%0.461SS*.  trans-60.9107.2170.8-78.8-179.9-171.400106.8L4 R8E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 HydrophobicContact CB-CD2 4.48Å; E2-L4 PolarHBondContact O-N 2.97Å; E2-R8 IonicContact OE2-CZ 2.68Å; E2-R8 IonicContact OE2-NH2 3.28Å; E2-R8 PolarHBondContact OE2-NH2 3.21Å
3T49.8Very low77.3Confident136 Ų13685.7 Ų85.783%0.83445%0.453SS*.  trans-61.399166.243.10000106.5M1 S5M1-T3 PolarHBondContact O-N 2.73Å; T3-S5 PolarHBondContact O-N 2.71Å; T3-S5 VanDerWaalsContact O-N 3.11Å
4L55.6Low78.7Confident101 Ų10179.7 Ų79.753%0.52942%0.422SS..  trans-64.8114-175.1-67.8173.4000108.8E2 F6 R8E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 HydrophobicContact CB-CD2 4.48Å; E2-L4 PolarHBondContact O-N 2.97Å; L4-F6 PolarHBondContact O-N 3.34Å; L4-R8 HydrophobicContact CD1-CG 4.11Å; L4-R8 HydrophobicContact CD2-CG 3.72Å
5S76.7Confident79.8Confident78 Ų7874.8 Ų74.855%0.54540%0.396SS..SBendtrans-70-18.4175.448.20000112.8T3T3-S5 PolarHBondContact O-N 2.71Å; T3-S5 VanDerWaalsContact O-N 3.11Å
6F87.7Confident80.7Confident10 Ų1075.8 Ų75.84%0.04440%0.4CS..SBendtrans-152.5158.1178.949.9-98.5000111.7L4 C99 R100 V101 R119 N126L4-F6 PolarHBondContact O-N 3.34Å; F6-C99 WeakPolarHBondContact CE1-O 3.41Å; F6-R100 HydrophobicContact CD1-CB 3.99Å; F6-R100 HydrophobicContact CE1-CB 4Å; F6-V101 HydrophobicContact CE1-CG2 4.11Å; F6-V101 HydrophobicContact CZ-CG2 3.89Å; F6-R119 HydrophobicContact CE2-CG 4.32Å; F6-R119 WeakPolarHBondContact CE2-O 3.41Å; F6-R119 HydrophobicContact CZ-CG 4.16Å; F6-N126 HydrophobicContact CB-CB 3.92Å
7P89.3Confident81.5Confident66 Ų6673.9 Ų73.943%0.42939%0.389SS..  trans-57.1139.2177-23.434000112.6Y9 S122 N126P7-Y9 HydrophobicContact CB-CE2 4.36Å; P7-S122 WeakPolarHBondContact O-CB 3.44Å; P7-N126 WeakPolarHBondContact CD-OD1 3.36Å
8R91.4Very high82.3Confident93 Ų9369.8 Ų69.835%0.35137%0.367SS..  trans-97.3111.6173.7-66.9-62.2-175.49714.8109.7E2 L4 R119E2-R8 IonicContact OE2-CZ 2.68Å; E2-R8 IonicContact OE2-NH2 3.28Å; E2-R8 PolarHBondContact OE2-NH2 3.21Å; L4-R8 HydrophobicContact CD1-CG 4.11Å; L4-R8 HydrophobicContact CD2-CG 3.72Å; R8-R119 VanDerWaalsContact NH1-CB 3.28Å; R8-R119 VanDerWaalsContact NH1-CD 3.33Å
9Y93.9Very high82.9Confident44 Ų4471.4 Ų71.417%0.17337%0.368CS..  trans-85140.6177.7-61.5-74.1000110.5P7 E13 I14 H17 S118 S122 I125P7-Y9 HydrophobicContact CB-CE2 4.36Å; Y9-E13 WeakPolarHBondContact CA-OE2 3.42Å; Y9-E13 HydrophobicContact CD1-CB 4.1Å; Y9-E13 HydrophobicContact CG-CB 4.44Å; Y9-I14 WeakPolarHBondContact O-CD1 3.39Å; Y9-H17 AromaticContact CD1-CD2 3.99Å; Y9-H17 AromaticContact CD1-NE2 3.8Å; Y9-H17 AromaticContact CE1-NE2 3.5Å; Y9-H17 WeakPolarHBondContact CE1-NE2 3.44Å; Y9-S118 PolarHBondContact O-OG 3.47Å; Y9-S122 PolarHBondContact N-OG 3.12Å; Y9-S122 VanDerWaalsContact N-OG 3.08Å; Y9-I125 HydrophobicContact CD2-CG2 4.3Å; Y9-I125 HydrophobicContact CE2-CB 4.29Å; Y9-I125 HydrophobicContact CE2-CG2 3.79Å
10N93.8Very high83.3Confident79 Ų7973.9 Ų73.942%0.42238%0.381SS..  trans-72.1164.3169.169.356.2000110.5A12 E13 I14N10-A12 PolarHBondContact O-N 3.19Å; N10-A12 VanDerWaalsContact O-N 3.13Å; N10-A12 WeakPolarHBondContact OD1-CA 3.33Å; N10-A12 VanDerWaalsContact OD1-CB 3.25Å; N10-A12 WeakPolarHBondContact OD1-CB 3.36Å; N10-A12 PolarHBondContact OD1-N 3.05Å; N10-E13 PolarHBondContact N-OE2 3.35Å; N10-E13 PolarHBondContact ND2-OE1 2.91Å; N10-E13 VanDerWaalsContact ND2-OE1 3.08Å; N10-E13 PolarHBondContact ND2-OE2 3.34Å; N10-E13 VanDerWaalsContact ND2-OE2 3.14Å; N10-E13 PolarHBondContact O-N 3.47Å; N10-E13 VanDerWaalsContact O-N 3.11Å; N10-E13 PolarHBondContact OD1-N 2.9Å; N10-I14 WeakPolarHBondContact O-CG1 3.12Å; N10-I14 PolarHBondContact O-N 3.45Å
11V94.6Very high83.6Confident31 Ų3174.1 Ų74.119%0.18838%0.38CS..Hα-helixtrans-58-33.1-175.5-178.90000112.4V15 K33 L36 Y37V11-V15 WeakPolarHBondContact O-CG2 3.49Å; V11-V15 PolarHBondContact O-N 2.89Å; V11-V15 VanDerWaalsContact O-N 3.11Å; V11-K33 HydrophobicContact CG1-CB 4.19Å; V11-K33 HydrophobicContact CG1-CG 4.39Å; V11-L36 HydrophobicContact CG1-CB 4.15Å; V11-Y37 HydrophobicContact CG2-CD2 4.22Å; V11-Y37 HydrophobicContact CG2-CG 4.23Å
12A94.4Very high86.4Confident26 Ų2663.1 Ų63.122%0.21533%0.325CS..Hα-helixtrans-67.6-45178.400000111.9N10 V15 I16 K33N10-A12 PolarHBondContact O-N 3.19Å; N10-A12 VanDerWaalsContact O-N 3.13Å; N10-A12 WeakPolarHBondContact OD1-CA 3.33Å; N10-A12 VanDerWaalsContact OD1-CB 3.25Å; N10-A12 WeakPolarHBondContact OD1-CB 3.36Å; N10-A12 PolarHBondContact OD1-N 3.05Å; A12-V15 PolarHBondContact O-N 3.43Å; A12-I16 WeakPolarHBondContact O-CG1 3.49Å; A12-I16 PolarHBondContact O-N 3.47Å; A12-I16 VanDerWaalsContact O-N 3.15Å; A12-K33 HydrophobicContact CB-CD 4.36Å
13E95.8Very high88.5Confident77 Ų7756.8 Ų56.836%0.3630%0.296SS..Hα-helixtrans-64.1-42.6176.1-70163.1171.900111.4Y9 N10 V15 I16 H17Y9-E13 WeakPolarHBondContact CA-OE2 3.42Å; Y9-E13 HydrophobicContact CD1-CB 4.1Å; Y9-E13 HydrophobicContact CG-CB 4.44Å; N10-E13 PolarHBondContact N-OE2 3.35Å; N10-E13 PolarHBondContact ND2-OE1 2.91Å; N10-E13 VanDerWaalsContact ND2-OE1 3.08Å; N10-E13 PolarHBondContact ND2-OE2 3.34Å; N10-E13 VanDerWaalsContact ND2-OE2 3.14Å; N10-E13 PolarHBondContact O-N 3.47Å; N10-E13 VanDerWaalsContact O-N 3.11Å; N10-E13 PolarHBondContact OD1-N 2.9Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 3.25Å; E13-I16 PolarHBondContact O-N 3.2Å; E13-I16 VanDerWaalsContact O-N 3.15Å; E13-H17 PolarHBondContact O-CD2 2.85Å; E13-H17 PolarHBondContact O-N 3.46Å
14I96.5Very high90Very high2 Ų255.1 Ų55.11%0.0129%0.286CS..Hα-helixtrans-56.5-48.5176-69.7173.5000110.6Y9 N10 I16 H17 I18 L36 S118 L121 I125Y9-I14 WeakPolarHBondContact O-CD1 3.39Å; N10-I14 WeakPolarHBondContact O-CG1 3.12Å; N10-I14 PolarHBondContact O-N 3.45Å; I14-I16 VanDerWaalsContact C-N 3.32Å; I14-I16 PolarHBondContact O-N 3.01Å; I14-H17 PolarHBondContact O-N 2.85Å; I14-I18 HydrophobicContact CG2-CD1 3.46Å; I14-I18 VanDerWaalsContact CG2-CD1 3.46Å; I14-I18 HydrophobicContact CG2-CG1 4.23Å; I14-I18 WeakPolarHBondContact O-CB 2.99Å; I14-I18 VanDerWaalsContact O-CG1 3.24Å; I14-I18 WeakPolarHBondContact O-CG1 3.36Å; I14-I18 PolarHBondContact O-N 3.14Å; I14-L36 HydrophobicContact CG2-CD1 3.75Å; I14-S118 WeakPolarHBondContact CD1-O 3.42Å; I14-S118 WeakPolarHBondContact CD1-OG 3.43Å; I14-L121 HydrophobicContact CD1-CB 4.37Å; I14-L121 HydrophobicContact CG2-CB 3.96Å; I14-L121 HydrophobicContact CG2-CD1 3.73Å; I14-L121 HydrophobicContact CG2-CG 4.47Å; I14-I125 HydrophobicContact CB-CD1 4.45Å; I14-I125 HydrophobicContact CG1-CD1 4.32Å; I14-I125 HydrophobicContact CG2-CD1 4.21Å
15V95.6Very high91.3Very high6 Ų653 Ų534%0.03629%0.288CS..Hα-helixtrans-58.7-45.1177.41710000110.9V11 A12 E13 H17 I18 R19 L31 K33 L36V11-V15 WeakPolarHBondContact O-CG2 3.49Å; V11-V15 PolarHBondContact O-N 2.89Å; V11-V15 VanDerWaalsContact O-N 3.11Å; A12-V15 PolarHBondContact O-N 3.43Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 3.25Å; V15-H17 PolarHBondContact O-N 3.43Å; V15-I18 PolarHBondContact O-N 3.01Å; V15-R19 HydrophobicContact CG1-CG 4.31Å; V15-R19 WeakPolarHBondContact O-CB 3.09Å; V15-R19 WeakPolarHBondContact O-CG 3.26Å; V15-R19 PolarHBondContact O-N 3.25Å; V15-L31 HydrophobicContact CG1-CD2 4.47Å; V15-L31 HydrophobicContact CG1-CG 4.46Å; V15-K33 HydrophobicContact CG2-CG 4.29Å; V15-L36 HydrophobicContact CG2-CD1 3.9Å
16I94.3Very high91.6Very high91 Ų9152.4 Ų52.447%0.46729%0.288SS..Hα-helixtrans-60.5-48.1178.6-66.9165000110.9A12 E13 I14 R19 N20A12-I16 WeakPolarHBondContact O-CG1 3.49Å; A12-I16 PolarHBondContact O-N 3.47Å; A12-I16 VanDerWaalsContact O-N 3.15Å; E13-I16 PolarHBondContact O-N 3.2Å; E13-I16 VanDerWaalsContact O-N 3.15Å; I14-I16 VanDerWaalsContact C-N 3.32Å; I14-I16 PolarHBondContact O-N 3.01Å; I16-R19 PolarHBondContact O-N 2.76Å; I16-N20 WeakPolarHBondContact O-CB 3.39Å; I16-N20 VanDerWaalsContact O-CG 3.27Å; I16-N20 PolarHBondContact O-N 3.49Å; I16-N20 VanDerWaalsContact O-N 3.13Å; I16-N20 PolarHBondContact O-ND2 3.37Å
17H94.8Very high91.4Very high44 Ų4454.8 Ų54.820%0.20430%0.302CS..Hα-helixtrans-63.4-44.4179.8-75.3-61.6000112.2Y9 E13 I14 V15 R19 N20 K21 I125 H129Y9-H17 AromaticContact CD1-CD2 3.99Å; Y9-H17 AromaticContact CD1-NE2 3.8Å; Y9-H17 AromaticContact CE1-NE2 3.5Å; Y9-H17 WeakPolarHBondContact CE1-NE2 3.44Å; E13-H17 PolarHBondContact O-CD2 2.85Å; E13-H17 PolarHBondContact O-N 3.46Å; I14-H17 PolarHBondContact O-N 2.85Å; V15-H17 PolarHBondContact O-N 3.43Å; H17-R19 PolarHBondContact O-N 3.45Å; H17-N20 PolarHBondContact O-N 2.77Å; H17-K21 VanDerWaalsContact O-CB 3.29Å; H17-K21 WeakPolarHBondContact O-CB 3.41Å; H17-K21 PolarHBondContact O-N 3.14Å; H17-I125 HydrophobicContact CB-CD1 3.76Å; H17-I125 HydrophobicContact CB-CG1 4.12Å; H17-I125 HydrophobicContact CB-CG2 3.86Å; H17-H129 AromaticContact CE1-CE1 3.72Å; H17-H129 AromaticContact CE1-NE2 3.93Å; H17-H129 AromaticContact ND1-CE1 3.4Å; H17-H129 PolarHBondContact ND1-CE1 3.45Å; H17-H129 AromaticContact ND1-NE2 3.69Å
18I95.8Very high91.2Very high0 Ų051.9 Ų51.90%028%0.283CS..Hα-helixtrans-62.2-45.2178.9-68169000110.9I14 V15 N20 K21 I22 L23 L31 L36 I48 L121 I125I14-I18 HydrophobicContact CG2-CD1 3.46Å; I14-I18 VanDerWaalsContact CG2-CD1 3.46Å; I14-I18 HydrophobicContact CG2-CG1 4.23Å; I14-I18 WeakPolarHBondContact O-CB 2.99Å; I14-I18 VanDerWaalsContact O-CG1 3.24Å; I14-I18 WeakPolarHBondContact O-CG1 3.36Å; I14-I18 PolarHBondContact O-N 3.14Å; V15-I18 PolarHBondContact O-N 3.01Å; I18-N20 VanDerWaalsContact C-N 3.26Å; I18-N20 PolarHBondContact O-N 3.08Å; I18-K21 PolarHBondContact O-N 3Å; I18-I22 HydrophobicContact CG1-CD1 4.11Å; I18-I22 HydrophobicContact CG2-CB 4.21Å; I18-I22 PolarHBondContact O-N 3.46Å; I18-L23 HydrophobicContact CG2-CB 4.36Å; I18-L23 HydrophobicContact CG2-CD1 3.77Å; I18-L23 HydrophobicContact CG2-CG 3.65Å; I18-L23 PolarHBondContact O-N 2.85Å; I18-L31 HydrophobicContact CB-CD2 3.73Å; I18-L31 HydrophobicContact CD1-CD2 4.25Å; I18-L31 HydrophobicContact CG2-CD2 3.34Å; I18-L36 HydrophobicContact CD1-CD1 4.14Å; I18-I48 HydrophobicContact CD1-CD1 3.98Å; I18-I48 HydrophobicContact CD1-CG2 4.27Å; I18-I48 HydrophobicContact CG2-CD1 4.39Å; I18-I48 HydrophobicContact CG2-CG1 4.08Å; I18-L121 HydrophobicContact CD1-CD1 4.05Å; I18-L121 HydrophobicContact CD1-CD2 4.29Å; I18-I125 HydrophobicContact CG1-CD1 4.36Å
19R93.4Very high90.9Very high100 Ų10055.5 Ų55.538%0.37730%0.302SS..Hα-helixtrans-60.5-34.2177.8-74.3-175.7176.2173-7.6113.6V15 I16 H17 L23 G28 L31V15-R19 HydrophobicContact CG1-CG 4.31Å; V15-R19 WeakPolarHBondContact O-CB 3.09Å; V15-R19 WeakPolarHBondContact O-CG 3.26Å; V15-R19 PolarHBondContact O-N 3.25Å; I16-R19 PolarHBondContact O-N 2.76Å; H17-R19 PolarHBondContact O-N 3.45Å; R19-L23 VanDerWaalsContact O-O 3.12Å; R19-G28 VanDerWaalsContact CG-O 3.22Å; R19-G28 WeakPolarHBondContact CG-O 3.4Å; R19-G28 PolarHBondContact NE-O 3.39Å; R19-L31 HydrophobicContact CG-CD2 4.48Å; R19-L31 PolarHBondContact NE-O 2.83Å; R19-L31 PolarHBondContact NH2-O 3Å
20N90.5Very high90.7Very high120 Ų12059.1 Ų59.164%0.64232%0.324SS*.Hα-helixtrans-90.1-25.6-175.5-69.5-16.2000113.1I16 H17 I18I16-N20 WeakPolarHBondContact O-CB 3.39Å; I16-N20 VanDerWaalsContact O-CG 3.27Å; I16-N20 PolarHBondContact O-N 3.49Å; I16-N20 VanDerWaalsContact O-N 3.13Å; I16-N20 PolarHBondContact O-ND2 3.37Å; H17-N20 PolarHBondContact O-N 2.77Å; I18-N20 VanDerWaalsContact C-N 3.26Å; I18-N20 PolarHBondContact O-N 3.08Å
21K89.5Confident90.7Very high80 Ų8055.6 Ų55.635%0.34831%0.305SS..Hα-helixtrans-124.9-25.7-166.5-63-66.9-173.1169.30115.4H17 I18 I55 E132H17-K21 VanDerWaalsContact O-CB 3.29Å; H17-K21 WeakPolarHBondContact O-CB 3.41Å; H17-K21 PolarHBondContact O-N 3.14Å; I18-K21 PolarHBondContact O-N 3Å; K21-I55 VanDerWaalsContact O-CD1 3.32Å; K21-I55 WeakPolarHBondContact O-CD1 3.46Å; K21-E132 IonicContact NZ-OE1 2.71Å; K21-E132 PolarHBondContact NZ-OE1 3.11Å; K21-E132 IonicContact NZ-OE2 3.68Å; K21-E132 PolarHBondContact NZ-OE2 2.95Å
22I93.5Very high90.6Very high5 Ų556.8 Ų56.83%0.02631%0.312CS..THydrogen-bonded Turntrans-116.3-51.3-170.8-60.5174.6000111.2I18 I48 R51 A52 I55 I124 I125 I128I18-I22 HydrophobicContact CG1-CD1 4.11Å; I18-I22 HydrophobicContact CG2-CB 4.21Å; I18-I22 PolarHBondContact O-N 3.46Å; I22-I48 HydrophobicContact CG2-CG2 4.31Å; I22-R51 HydrophobicContact CG2-CB 3.78Å; I22-A52 HydrophobicContact CG2-CB 4.43Å; I22-I55 HydrophobicContact CB-CD1 4.45Å; I22-I55 HydrophobicContact CG2-CD1 4.49Å; I22-I124 HydrophobicContact CD1-CG2 4.42Å; I22-I125 HydrophobicContact CD1-CG1 4.38Å; I22-I128 HydrophobicContact CD1-CD1 3.87Å; I22-I128 HydrophobicContact CG1-CD1 3.81Å
23L92Very high90.6Very high3 Ų361.2 Ų61.22%0.01633%0.327CS..  trans-96.7128.4179.3-60.3-176.5000110.2I18 R19 D27 L31 M47 I48 R51I18-L23 HydrophobicContact CG2-CB 4.36Å; I18-L23 HydrophobicContact CG2-CD1 3.77Å; I18-L23 HydrophobicContact CG2-CG 3.65Å; I18-L23 PolarHBondContact O-N 2.85Å; R19-L23 VanDerWaalsContact O-O 3.12Å; L23-D27 HydrophobicContact CB-CB 4.32Å; L23-D27 HydrophobicContact CD1-CB 4.5Å; L23-L31 HydrophobicContact CD1-CB 4.32Å; L23-L31 HydrophobicContact CD1-CD2 4.1Å; L23-M47 HydrophobicContact CD1-CE 4.02Å; L23-M47 HydrophobicContact CD2-CG 3.97Å; L23-M47 HydrophobicContact CD2-SD 4.28Å; L23-I48 HydrophobicContact CD1-CG1 4.11Å; L23-I48 HydrophobicContact CD2-CG1 4.41Å; L23-I48 HydrophobicContact CG-CG1 4.42Å; L23-R51 HydrophobicContact CD2-CB 4.09Å; L23-R51 HydrophobicContact CD2-CG 3.73Å
24T80.7Confident90.5Very high102 Ų10263.3 Ų63.363%0.62634%0.341SS*.  trans-104.4150.2177.754.50000111.5
25G82.5Confident90.4Very high56 Ų5664 Ų6458%0.57734%0.344SS*.THydrogen-bonded Turntrans68.9-134.2170.600000114.1G28 K29G25-G28 PolarHBondContact O-N 2.91Å; G25-K29 PolarHBondContact O-N 2.67Å
26A82.7Confident90.3Very high66 Ų6664 Ų6455%0.54534%0.344SS..Hα-helixtrans-65.1-40-175.400000112.7G28 K29 N30A26-G28 VanDerWaalsContact C-N 3.26Å; A26-G28 PolarHBondContact O-N 3.31Å; A26-K29 PolarHBondContact O-N 3.49Å; A26-K29 VanDerWaalsContact O-N 3.14Å; A26-N30 PolarHBondContact O-N 3.43Å; A26-N30 VanDerWaalsContact O-N 3.1Å
27D84Confident90.3Very high60 Ų6066.2 Ų66.232%0.32135%0.347SS..Hα-helixtrans-57.1-40.3179.8-60.6-16.8000111.5L23 L31 M47 R51L23-D27 HydrophobicContact CB-CB 4.32Å; L23-D27 HydrophobicContact CD1-CB 4.5Å; D27-L31 PolarHBondContact O-N 3.37Å; D27-M47 HydrophobicContact CB-SD 3.93Å; D27-R51 IonicContact OD2-NH2 3.7Å
28G84.9Confident90.2Very high4 Ų467.8 Ų67.84%0.04136%0.362CS..Hα-helixtrans-68.8-47.3175.700000112.5R19 G25 A26 N30 L31R19-G28 VanDerWaalsContact CG-O 3.22Å; R19-G28 WeakPolarHBondContact CG-O 3.4Å; R19-G28 PolarHBondContact NE-O 3.39Å; G25-G28 PolarHBondContact O-N 2.91Å; A26-G28 VanDerWaalsContact C-N 3.26Å; A26-G28 PolarHBondContact O-N 3.31Å; G28-N30 PolarHBondContact O-N 3.42Å; G28-L31 PolarHBondContact O-N 3.08Å
29K86.6Confident90.1Very high170 Ų17074 Ų7474%0.73940%0.395SS*.Hα-helixtrans-59.3-35.2-178.1-71.5-177.2-179.4-1790112.6G25 A26G25-K29 PolarHBondContact O-N 2.67Å; A26-K29 PolarHBondContact O-N 3.49Å; A26-K29 VanDerWaalsContact O-N 3.14Å
30N88.7Confident90.3Very high120 Ų12069.7 Ų69.764%0.64238%0.38SS*.Hα-helixtrans-83.6-16.5-176.6-66.4-17.8000114.1A26 G28 T32A26-N30 PolarHBondContact O-N 3.43Å; A26-N30 VanDerWaalsContact O-N 3.1Å; G28-N30 PolarHBondContact O-N 3.42Å; N30-T32 WeakPolarHBondContact O-CG2 3.34Å; N30-T32 PolarHBondContact O-N 2.86Å
31L93.4Very high90.5Very high5 Ų568.5 Ų68.53%0.02637%0.369CS..  trans-67.1120179.9178.770.1000111.1V15 I18 R19 L23 D27 G28 D35 V44 I48V15-L31 HydrophobicContact CG1-CD2 4.47Å; V15-L31 HydrophobicContact CG1-CG 4.46Å; I18-L31 HydrophobicContact CB-CD2 3.73Å; I18-L31 HydrophobicContact CD1-CD2 4.25Å; I18-L31 HydrophobicContact CG2-CD2 3.34Å; R19-L31 HydrophobicContact CG-CD2 4.48Å; R19-L31 PolarHBondContact NE-O 2.83Å; R19-L31 PolarHBondContact NH2-O 3Å; L23-L31 HydrophobicContact CD1-CB 4.32Å; L23-L31 HydrophobicContact CD1-CD2 4.1Å; D27-L31 PolarHBondContact O-N 3.37Å; G28-L31 PolarHBondContact O-N 3.08Å; L31-D35 HydrophobicContact CD1-CB 4.12Å; L31-V44 HydrophobicContact CD1-CG1 3.54Å; L31-I48 HydrophobicContact CD1-CD1 4.29Å
32T93.2Very high90.7Very high56 Ų5666.3 Ų66.334%0.34436%0.363SS..  trans-116.8169.5179.170.20000112.5N30 N34 D35N30-T32 WeakPolarHBondContact O-CG2 3.34Å; N30-T32 PolarHBondContact O-N 2.86Å; T32-N34 PolarHBondContact O-N 2.84Å; T32-N34 PolarHBondContact OG1-N 2.85Å; T32-D35 WeakPolarHBondContact CA-OD2 3.3Å; T32-D35 PolarHBondContact N-OD2 3.49Å; T32-D35 PolarHBondContact O-N 3.41Å; T32-D35 PolarHBondContact OG1-OD2 2.78Å
33K93.5Very high90.6Very high118 Ų11872.5 Ų72.551%0.51339%0.392SS..G310 helixtrans-59.7-33174.3-63.9-174.8-172.8-177.80112.1V11 A12 V15 D35 L36 Y37V11-K33 HydrophobicContact CG1-CB 4.19Å; V11-K33 HydrophobicContact CG1-CG 4.39Å; A12-K33 HydrophobicContact CB-CD 4.36Å; V15-K33 HydrophobicContact CG2-CG 4.29Å; K33-D35 PolarHBondContact O-N 3.5Å; K33-L36 PolarHBondContact O-N 3.24Å; K33-L36 VanDerWaalsContact O-N 3.12Å; K33-Y37 PolarHBondContact O-N 2.91Å
34N93.8Very high90.7Very high122 Ų12273.4 Ų73.465%0.65240%0.397SS*.G310 helixtrans-68.4-19.8-178.1-67.6-9.1000112.8T32 L36 Y37T32-N34 PolarHBondContact O-N 2.84Å; T32-N34 PolarHBondContact OG1-N 2.85Å; N34-L36 VanDerWaalsContact C-N 3.27Å; N34-Y37 WeakPolarHBondContact CA-O 3.32Å
35D94.3Very high91.3Very high15 Ų1568.5 Ų68.58%0.0837%0.367CS..G310 helixtrans-77.9-15.7176.3-57.2-56.1000112.5L31 T32 K33 P40 K41 V44L31-D35 HydrophobicContact CD1-CB 4.12Å; T32-D35 WeakPolarHBondContact CA-OD2 3.3Å; T32-D35 PolarHBondContact N-OD2 3.49Å; T32-D35 PolarHBondContact O-N 3.41Å; T32-D35 PolarHBondContact OG1-OD2 2.78Å; K33-D35 PolarHBondContact O-N 3.5Å; D35-P40 WeakPolarHBondContact O-CA 3.21Å; D35-K41 HydrophobicContact CB-CD 4.5Å; D35-K41 PolarHBondContact O-N 3.19Å; D35-K41 WeakPolarHBondContact OD1-CD 3.48Å; D35-K41 WeakPolarHBondContact OD1-CE 3.49Å; D35-K41 IonicContact OD1-NZ 3.53Å; D35-K41 PolarHBondContact OD1-NZ 3.21Å; D35-V44 HydrophobicContact CB-CG1 4.12Å; D35-V44 HydrophobicContact CB-CG2 4.23Å
36L94.7Very high91.9Very high8 Ų867.8 Ų67.84%0.04235%0.349CS..THydrogen-bonded Turntrans-118.9-18.7-177.4-58.3-179000113.6V11 I14 V15 I18 K33 N34 P40 L45 I48 L121V11-L36 HydrophobicContact CG1-CB 4.15Å; I14-L36 HydrophobicContact CG2-CD1 3.75Å; V15-L36 HydrophobicContact CG2-CD1 3.9Å; I18-L36 HydrophobicContact CD1-CD1 4.14Å; K33-L36 PolarHBondContact O-N 3.24Å; K33-L36 VanDerWaalsContact O-N 3.12Å; N34-L36 VanDerWaalsContact C-N 3.27Å; L36-P40 WeakPolarHBondContact O-CG 3.41Å; L36-L45 HydrophobicContact CD2-CD2 3.71Å; L36-I48 HydrophobicContact CD2-CD1 4.08Å; L36-L121 HydrophobicContact CD1-CD1 4.17Å; L36-L121 HydrophobicContact CD2-CD1 4.09Å
37Y94.7Very high92.4Very high136 Ų13666.9 Ų66.953%0.53333%0.334SS..SBendtrans-153140.5-177.7-174.6-85.6000111.7V11 K33 N34 A114V11-Y37 HydrophobicContact CG2-CD2 4.22Å; V11-Y37 HydrophobicContact CG2-CG 4.23Å; K33-Y37 PolarHBondContact O-N 2.91Å; N34-Y37 WeakPolarHBondContact CA-O 3.32Å; Y37-A114 HydrophobicContact CD2-CB 3.81Å; Y37-A114 HydrophobicContact CE2-CB 4.28Å
38P92.5Very high92.9Very high78 Ų7864 Ų6451%0.50632%0.318SS..SBendcis-80.2-18.1-1.231.6-35.1000113.9P40 A114P38-P40 WeakPolarHBondContact O-CD 3.23Å; P38-A114 VanDerWaalsContact O-CB 3.31Å; P38-A114 WeakPolarHBondContact O-CB 3.49Å
39N94.1Very high93.5Very high129 Ų12963.8 Ų63.869%0.6932%0.316SS*.SBendtrans-113.697.8-179.6-61.5-35000109K41N39-K41 PolarHBondContact O-N 3.32Å
40P95.8Very high93.9Very high10 Ų1057 Ų577%0.06529%0.288CS..  trans-60.5133.8177.1-14.525.3000110.8D35 L36 P38 P42 L45 P112 A114 T117D35-P40 WeakPolarHBondContact O-CA 3.21Å; L36-P40 WeakPolarHBondContact O-CG 3.41Å; P38-P40 WeakPolarHBondContact O-CD 3.23Å; P40-P42 WeakPolarHBondContact O-CD 3.28Å; P40-L45 HydrophobicContact CB-CD1 3.9Å; P40-L45 HydrophobicContact CB-CG 4.44Å; P40-P112 HydrophobicContact CB-CB 3.93Å; P40-P112 HydrophobicContact CB-CG 3.87Å; P40-P112 HydrophobicContact CG-CB 4.17Å; P40-P112 HydrophobicContact CG-CG 4.43Å; P40-P112 WeakPolarHBondContact O-CG 3.29Å; P40-A114 HydrophobicContact CG-CB 4.16Å; P40-T117 HydrophobicContact CB-CG2 4.25Å; P40-T117 HydrophobicContact CG-CG2 4.34Å
41K95.1Very high94.2Very high96 Ų9654.9 Ų54.942%0.41727%0.271SS..  trans-80.5121.2177.1-66.7178.9-176.9166.50110D35 N39 E43 V44 L45D35-K41 HydrophobicContact CB-CD 4.5Å; D35-K41 PolarHBondContact O-N 3.19Å; D35-K41 WeakPolarHBondContact OD1-CD 3.48Å; D35-K41 WeakPolarHBondContact OD1-CE 3.49Å; D35-K41 IonicContact OD1-NZ 3.53Å; D35-K41 PolarHBondContact OD1-NZ 3.21Å; N39-K41 PolarHBondContact O-N 3.32Å; K41-E43 VanDerWaalsContact C-N 3.27Å; K41-E43 PolarHBondContact O-N 3.41Å; K41-V44 HydrophobicContact CB-CB 4.13Å; K41-V44 HydrophobicContact CB-CG2 3.84Å; K41-V44 HydrophobicContact CD-CG2 4.16Å; K41-V44 PolarHBondContact O-N 3.02Å; K41-L45 PolarHBondContact O-N 3.33Å; K41-L45 VanDerWaalsContact O-N 3.16Å
42P93.5Very high94.3Very high34 Ų3454.7 Ų54.722%0.22127%0.27CS..Hα-helixtrans-51.5-45.5179.4-28.135.6000112.6P40 V44 L45 H46 P112P40-P42 WeakPolarHBondContact O-CD 3.28Å; P42-V44 VanDerWaalsContact C-N 3.3Å; P42-V44 PolarHBondContact O-N 3.02Å; P42-L45 PolarHBondContact O-N 2.89Å; P42-L45 VanDerWaalsContact O-N 3.11Å; P42-H46 PolarHBondContact O-N 2.96Å; P42-H46 PolarHBondContact O-ND1 3.41Å; P42-P112 HydrophobicContact CG-CG 4.19Å
43E92.3Very high94.4Very high135 Ų13552 Ų5263%0.63125%0.253SS*.Hα-helixtrans-62.4-38.2-175.5-55.272.3-154.400111.7K41 M47K41-E43 VanDerWaalsContact C-N 3.27Å; K41-E43 PolarHBondContact O-N 3.41Å; E43-M47 PolarHBondContact O-N 3.18Å; E43-M47 VanDerWaalsContact O-N 3.14Å
44V93.2Very high94.5Very high21 Ų2148.4 Ų48.413%0.12724%0.238CC..Hα-helixtrans-69.2-40.1177.5178.60000110.6L31 D35 K41 P42 M47 I48L31-V44 HydrophobicContact CD1-CG1 3.54Å; D35-V44 HydrophobicContact CB-CG1 4.12Å; D35-V44 HydrophobicContact CB-CG2 4.23Å; K41-V44 HydrophobicContact CB-CB 4.13Å; K41-V44 HydrophobicContact CB-CG2 3.84Å; K41-V44 HydrophobicContact CD-CG2 4.16Å; K41-V44 PolarHBondContact O-N 3.02Å; P42-V44 VanDerWaalsContact C-N 3.3Å; P42-V44 PolarHBondContact O-N 3.02Å; V44-M47 HydrophobicContact CG1-CE 4.29Å; V44-M47 PolarHBondContact O-N 3.48Å; V44-I48 HydrophobicContact CG1-CD1 3.81Å; V44-I48 WeakPolarHBondContact O-CD1 3.4Å; V44-I48 VanDerWaalsContact O-CG1 3.26Å; V44-I48 WeakPolarHBondContact O-CG1 3.35Å; V44-I48 PolarHBondContact O-N 3.46Å
45L94.7Very high94.5Very high0 Ų045.4 Ų45.40%022%0.221CC..Hα-helixtrans-67.4-41.3175.9-65.7-175.6000112.5L36 P40 K41 P42 M47 I48 Y49 P112 T117 L121L36-L45 HydrophobicContact CD2-CD2 3.71Å; P40-L45 HydrophobicContact CB-CD1 3.9Å; P40-L45 HydrophobicContact CB-CG 4.44Å; K41-L45 PolarHBondContact O-N 3.33Å; K41-L45 VanDerWaalsContact O-N 3.16Å; P42-L45 PolarHBondContact O-N 2.89Å; P42-L45 VanDerWaalsContact O-N 3.11Å; L45-M47 VanDerWaalsContact C-N 3.29Å; L45-M47 PolarHBondContact O-N 2.97Å; L45-I48 HydrophobicContact CD2-CD1 4.31Å; L45-I48 PolarHBondContact O-N 3.31Å; L45-Y49 HydrophobicContact CB-CD2 4.28Å; L45-Y49 HydrophobicContact CB-CE2 3.97Å; L45-Y49 WeakPolarHBondContact O-CB 3.36Å; L45-Y49 WeakPolarHBondContact O-CD2 3.35Å; L45-Y49 VanDerWaalsContact O-CG 3.31Å; L45-Y49 PolarHBondContact O-N 2.84Å; L45-P112 HydrophobicContact CD1-CB 3.36Å; L45-P112 HydrophobicContact CD1-CG 3.76Å; L45-T117 HydrophobicContact CD1-CG2 3.71Å; L45-T117 HydrophobicContact CD2-CG2 3.49Å; L45-T117 VanDerWaalsContact CD2-CG2 3.49Å; L45-T117 HydrophobicContact CG-CG2 4.25Å; L45-L121 HydrophobicContact CD2-CD1 4.26Å
46H93.4Very high94.4Very high40 Ų4045.4 Ų45.419%0.18522%0.222CC..Hα-helixtrans-54.4-49.7173.5-77.280.6000110.4P42 I48 Y49 M50 F85 L88 I109P42-H46 PolarHBondContact O-N 2.96Å; P42-H46 PolarHBondContact O-ND1 3.41Å; H46-I48 PolarHBondContact O-N 2.93Å; H46-Y49 PolarHBondContact O-N 3.44Å; H46-M50 WeakPolarHBondContact O-CB 3.24Å; H46-M50 VanDerWaalsContact O-CG 3.27Å; H46-M50 WeakPolarHBondContact O-CG 3.29Å; H46-M50 PolarHBondContact O-N 3.42Å; H46-F85 AromaticContact NE2-CD2 3.8Å; H46-L88 HydrophobicContact CB-CD2 4.25Å; H46-I109 WeakPolarHBondContact CE1-CG2 3.33Å; H46-I109 WeakPolarHBondContact NE2-CG2 3.47Å
47M93.2Very high94.4Very high47 Ų4749.4 Ų49.423%0.23224%0.237CC..Hα-helixtrans-58.8-47.4176.9177.5-177.649.500112.2L23 D27 E43 V44 L45 Y49 R51L23-M47 HydrophobicContact CD1-CE 4.02Å; L23-M47 HydrophobicContact CD2-CG 3.97Å; L23-M47 HydrophobicContact CD2-SD 4.28Å; D27-M47 HydrophobicContact CB-SD 3.93Å; E43-M47 PolarHBondContact O-N 3.18Å; E43-M47 VanDerWaalsContact O-N 3.14Å; V44-M47 HydrophobicContact CG1-CE 4.29Å; V44-M47 PolarHBondContact O-N 3.48Å; L45-M47 VanDerWaalsContact C-N 3.29Å; L45-M47 PolarHBondContact O-N 2.97Å; M47-Y49 PolarHBondContact O-N 3.49Å; M47-R51 HydrophobicContact CG-CG 4.44Å; M47-R51 VanDerWaalsContact O-CB 3.3Å; M47-R51 WeakPolarHBondContact O-CB 3.45Å; M47-R51 WeakPolarHBondContact O-CG 3.37Å; M47-R51 PolarHBondContact O-N 2.89Å
48I95.9Very high94.3Very high0 Ų045.5 Ų45.50%024%0.238CC..Hα-helixtrans-60.9-46.5179.2-70160.4000111.1I18 I22 L23 L31 L36 V44 L45 H46 R51 A52 L121I18-I48 HydrophobicContact CD1-CD1 3.98Å; I18-I48 HydrophobicContact CD1-CG2 4.27Å; I18-I48 HydrophobicContact CG2-CD1 4.39Å; I18-I48 HydrophobicContact CG2-CG1 4.08Å; I22-I48 HydrophobicContact CG2-CG2 4.31Å; L23-I48 HydrophobicContact CD1-CG1 4.11Å; L23-I48 HydrophobicContact CD2-CG1 4.41Å; L23-I48 HydrophobicContact CG-CG1 4.42Å; L31-I48 HydrophobicContact CD1-CD1 4.29Å; L36-I48 HydrophobicContact CD2-CD1 4.08Å; V44-I48 HydrophobicContact CG1-CD1 3.81Å; V44-I48 WeakPolarHBondContact O-CD1 3.4Å; V44-I48 VanDerWaalsContact O-CG1 3.26Å; V44-I48 WeakPolarHBondContact O-CG1 3.35Å; V44-I48 PolarHBondContact O-N 3.46Å; L45-I48 HydrophobicContact CD2-CD1 4.31Å; L45-I48 PolarHBondContact O-N 3.31Å; H46-I48 PolarHBondContact O-N 2.93Å; I48-R51 PolarHBondContact O-N 3.32Å; I48-A52 WeakPolarHBondContact O-CB 3.48Å; I48-A52 PolarHBondContact O-N 2.83Å; I48-L121 HydrophobicContact CG2-CD2 3.64Å
49Y96.4Very high94.3Very high0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-68-44.6-179.1-67.6-39.8000112.4L45 H46 M47 R51 A52 L53 L92 L121 I124L45-Y49 HydrophobicContact CB-CD2 4.28Å; L45-Y49 HydrophobicContact CB-CE2 3.97Å; L45-Y49 WeakPolarHBondContact O-CB 3.36Å; L45-Y49 WeakPolarHBondContact O-CD2 3.35Å; L45-Y49 VanDerWaalsContact O-CG 3.31Å; L45-Y49 PolarHBondContact O-N 2.84Å; H46-Y49 PolarHBondContact O-N 3.44Å; M47-Y49 PolarHBondContact O-N 3.49Å; Y49-R51 VanDerWaalsContact C-N 3.32Å; Y49-R51 PolarHBondContact O-N 3.5Å; Y49-A52 PolarHBondContact O-N 3.31Å; Y49-L53 WeakPolarHBondContact O-CG 3.34Å; Y49-L53 PolarHBondContact O-N 3.17Å; Y49-L92 HydrophobicContact CD1-CD1 4.5Å; Y49-L92 HydrophobicContact CD1-CD2 4.27Å; Y49-L92 HydrophobicContact CD2-CD1 3.82Å; Y49-L92 HydrophobicContact CE2-CD1 4.41Å; Y49-L92 HydrophobicContact CG-CD1 3.87Å; Y49-L92 HydrophobicContact CG-CD2 4.25Å; Y49-L121 HydrophobicContact CE1-CD2 4.02Å; Y49-I124 HydrophobicContact CD1-CD1 3.66Å; Y49-I124 HydrophobicContact CE1-CD1 3.53Å
50M95.1Very high94.3Very high28 Ų2843.1 Ų43.114%0.13821%0.211CC..Hα-helixtrans-55.2-51.4173.2-75-172.4-57.700109.9H46 A52 L53 Q54 L61 F64 L88H46-M50 WeakPolarHBondContact O-CB 3.24Å; H46-M50 VanDerWaalsContact O-CG 3.27Å; H46-M50 WeakPolarHBondContact O-CG 3.29Å; H46-M50 PolarHBondContact O-N 3.42Å; M50-A52 VanDerWaalsContact C-N 3.34Å; M50-A52 PolarHBondContact O-N 2.83Å; M50-L53 WeakPolarHBondContact O-CB 3.49Å; M50-L53 PolarHBondContact O-N 2.91Å; M50-Q54 WeakPolarHBondContact O-CG 3.32Å; M50-Q54 PolarHBondContact O-N 3.29Å; M50-L61 HydrophobicContact SD-CD1 4.27Å; M50-F64 HydrophobicContact CB-CE2 4.28Å; M50-F64 HydrophobicContact CB-CZ 4.28Å; M50-F64 HydrophobicContact CG-CD1 4.3Å; M50-F64 HydrophobicContact CG-CD2 4.4Å; M50-F64 HydrophobicContact CG-CE1 4.19Å; M50-F64 HydrophobicContact CG-CE2 4.29Å; M50-F64 HydrophobicContact CG-CG 4.41Å; M50-F64 HydrophobicContact CG-CZ 4.19Å; M50-F64 HydrophobicContact SD-CD2 4.41Å; M50-F64 HydrophobicContact SD-CG 4.33Å; M50-L88 HydrophobicContact CG-CD1 3.96Å; M50-L88 HydrophobicContact CG-CD2 4.41Å
51R94.8Very high94Very high75 Ų7546.6 Ų46.628%0.28323%0.228SC..Hα-helixtrans-59.7-41.4179.6-70.8-77.1-171.8-155.78.8112.6I22 L23 D27 M47 I48 Y49 L53 Q54 I55I22-R51 HydrophobicContact CG2-CB 3.78Å; L23-R51 HydrophobicContact CD2-CB 4.09Å; L23-R51 HydrophobicContact CD2-CG 3.73Å; D27-R51 IonicContact OD2-NH2 3.7Å; M47-R51 HydrophobicContact CG-CG 4.44Å; M47-R51 VanDerWaalsContact O-CB 3.3Å; M47-R51 WeakPolarHBondContact O-CB 3.45Å; M47-R51 WeakPolarHBondContact O-CG 3.37Å; M47-R51 PolarHBondContact O-N 2.89Å; I48-R51 PolarHBondContact O-N 3.32Å; Y49-R51 VanDerWaalsContact C-N 3.32Å; Y49-R51 PolarHBondContact O-N 3.5Å; R51-L53 VanDerWaalsContact C-N 3.32Å; R51-L53 PolarHBondContact O-N 3.39Å; R51-Q54 PolarHBondContact O-N 2.83Å; R51-I55 WeakPolarHBondContact O-CG1 3.23Å; R51-I55 PolarHBondContact O-N 2.95Å
52A96Very high93.9Very high0 Ų046.5 Ų46.50%023%0.229CC..Hα-helixtrans-59.9-43.1174.300000111.7I22 I48 Y49 M50 I55 V56 I124 I128I22-A52 HydrophobicContact CG2-CB 4.43Å; I48-A52 WeakPolarHBondContact O-CB 3.48Å; I48-A52 PolarHBondContact O-N 2.83Å; Y49-A52 PolarHBondContact O-N 3.31Å; M50-A52 VanDerWaalsContact C-N 3.34Å; M50-A52 PolarHBondContact O-N 2.83Å; A52-I55 WeakPolarHBondContact O-CB 3.33Å; A52-I55 PolarHBondContact O-N 3.01Å; A52-V56 WeakPolarHBondContact O-CG2 3.3Å; A52-V56 PolarHBondContact O-N 3.12Å; A52-I124 HydrophobicContact CB-CG2 3.95Å; A52-I128 HydrophobicContact CB-CD1 4.48Å
53L96.2Very high93.8Very high0 Ų048.1 Ų48.10%023%0.234CC..Hα-helixtrans-67.2-37.2176.3-70.4171.2000112.7Y49 M50 R51 I55 V56 Y57 I59 F64 L88 H91 L92 F95Y49-L53 WeakPolarHBondContact O-CG 3.34Å; Y49-L53 PolarHBondContact O-N 3.17Å; M50-L53 WeakPolarHBondContact O-CB 3.49Å; M50-L53 PolarHBondContact O-N 2.91Å; R51-L53 VanDerWaalsContact C-N 3.32Å; R51-L53 PolarHBondContact O-N 3.39Å; L53-I55 VanDerWaalsContact C-N 3.28Å; L53-I55 PolarHBondContact O-N 3.37Å; L53-V56 PolarHBondContact O-N 3.07Å; L53-Y57 HydrophobicContact CD2-CD2 3.83Å; L53-Y57 HydrophobicContact CD2-CE2 3.92Å; L53-Y57 PolarHBondContact O-N 3.44Å; L53-I59 HydrophobicContact CB-CD1 4.27Å; L53-F64 HydrophobicContact CB-CZ 4.02Å; L53-F64 HydrophobicContact CD1-CE1 3.87Å; L53-F64 HydrophobicContact CD1-CZ 3.97Å; L53-L88 HydrophobicContact CD1-CD1 3.6Å; L53-H91 HydrophobicContact CD1-CB 3.54Å; L53-H91 HydrophobicContact CD2-CB 4.02Å; L53-H91 HydrophobicContact CG-CB 4.41Å; L53-L92 HydrophobicContact CD1-CD2 4.29Å; L53-L92 HydrophobicContact CD1-CG 4.32Å; L53-L92 HydrophobicContact CG-CD2 4.45Å; L53-F95 HydrophobicContact CD2-CB 3.82Å; L53-F95 HydrophobicContact CD2-CD1 3.81Å; L53-F95 HydrophobicContact CD2-CG 3.88Å
54Q94.6Very high93.8Very high42 Ų4241.7 Ų41.720%0.19620%0.204CC..Hα-helixtrans-60.1-41.3172.2-51.4-161.8-77.600110.9M50 R51 G58 I59 F64M50-Q54 WeakPolarHBondContact O-CG 3.32Å; M50-Q54 PolarHBondContact O-N 3.29Å; R51-Q54 PolarHBondContact O-N 2.83Å; Q54-G58 WeakPolarHBondContact O-CA 3.42Å; Q54-G58 PolarHBondContact O-N 2.85Å; Q54-I59 VanDerWaalsContact CG-O 3.23Å; Q54-I59 WeakPolarHBondContact CG-O 3.46Å; Q54-I59 PolarHBondContact NE2-O 3.08Å; Q54-F64 HydrophobicContact CG-CE2 4.43Å
55I93.1Very high93.7Very high59 Ų5946.4 Ų46.430%0.30322%0.22SC..Hα-helixtrans-67.7-43.3179.3-70.4163.6000111.5K21 I22 R51 A52 L53 R131K21-I55 VanDerWaalsContact O-CD1 3.32Å; K21-I55 WeakPolarHBondContact O-CD1 3.46Å; I22-I55 HydrophobicContact CB-CD1 4.45Å; I22-I55 HydrophobicContact CG2-CD1 4.49Å; R51-I55 WeakPolarHBondContact O-CG1 3.23Å; R51-I55 PolarHBondContact O-N 2.95Å; A52-I55 WeakPolarHBondContact O-CB 3.33Å; A52-I55 PolarHBondContact O-N 3.01Å; L53-I55 VanDerWaalsContact C-N 3.28Å; L53-I55 PolarHBondContact O-N 3.37Å; I55-R131 VanDerWaalsContact O-CZ 3.23Å; I55-R131 PolarHBondContact O-NH1 3.48Å; I55-R131 PolarHBondContact O-NH2 3.48Å
56V93.7Very high93.5Very high15 Ų1551.7 Ų51.79%0.09125%0.246CC..Hα-helixtrans-81.3-48.3-172.21750000112.1A52 L53 F95 F127 I128 R131A52-V56 WeakPolarHBondContact O-CG2 3.3Å; A52-V56 PolarHBondContact O-N 3.12Å; L53-V56 PolarHBondContact O-N 3.07Å; V56-F95 HydrophobicContact CB-CE2 4.14Å; V56-F95 HydrophobicContact CB-CZ 4.45Å; V56-F95 HydrophobicContact CG1-CD2 4.16Å; V56-F95 HydrophobicContact CG1-CE2 3.77Å; V56-F95 HydrophobicContact CG2-CE2 3.85Å; V56-F95 HydrophobicContact CG2-CZ 3.81Å; V56-F127 HydrophobicContact CG1-CE1 3.78Å; V56-F127 HydrophobicContact CG1-CZ 4.46Å; V56-F127 HydrophobicContact CG2-CD1 4.28Å; V56-F127 HydrophobicContact CG2-CE1 3.95Å; V56-I128 HydrophobicContact CG2-CG1 4.34Å; V56-R131 PolarHBondContact O-NH2 3.47Å
57Y93.7Very high93Very high93 Ų9352.5 Ų52.537%0.36525%0.251SS..Hα-helixtrans-105.9-8.3-174-65.2-38.8000114.3L53 I59 F95 I98L53-Y57 HydrophobicContact CD2-CD2 3.83Å; L53-Y57 HydrophobicContact CD2-CE2 3.92Å; L53-Y57 PolarHBondContact O-N 3.44Å; Y57-I59 VanDerWaalsContact C-N 3.26Å; Y57-I59 HydrophobicContact CD2-CD1 3.94Å; Y57-I59 HydrophobicContact CG-CD1 4.4Å; Y57-I59 PolarHBondContact O-N 2.99Å; Y57-F95 HydrophobicContact CE2-CB 3.93Å; Y57-F95 HydrophobicContact CE2-CD2 4.34Å; Y57-F95 HydrophobicContact CE2-CG 4.38Å; Y57-I98 VanDerWaalsContact OH-CD1 3.23Å; Y57-I98 WeakPolarHBondContact OH-CD1 3.48Å
58G93.3Very high92.4Very high54 Ų5453.7 Ų53.756%0.55726%0.262SS*.  trans7318.8-177.100000113.7Q54 R60Q54-G58 WeakPolarHBondContact O-CA 3.42Å; Q54-G58 PolarHBondContact O-N 2.85Å; G58-R60 PolarHBondContact O-N 3.37Å
59I93.2Very high91.5Very high17 Ų1760.6 Ų60.69%0.08730%0.304CS..  trans-64.6124.4-179.7-61.9168000109.1L53 Q54 Y57 H63 F64 H91L53-I59 HydrophobicContact CB-CD1 4.27Å; Q54-I59 VanDerWaalsContact CG-O 3.23Å; Q54-I59 WeakPolarHBondContact CG-O 3.46Å; Q54-I59 PolarHBondContact NE2-O 3.08Å; Y57-I59 VanDerWaalsContact C-N 3.26Å; Y57-I59 HydrophobicContact CD2-CD1 3.94Å; Y57-I59 HydrophobicContact CG-CD1 4.4Å; Y57-I59 PolarHBondContact O-N 2.99Å; I59-H63 HydrophobicContact CG2-CB 3.78Å; I59-F64 HydrophobicContact CB-CE2 4.2Å; I59-F64 HydrophobicContact CB-CZ 4.25Å; I59-F64 HydrophobicContact CG2-CD2 4.04Å; I59-F64 HydrophobicContact CG2-CE1 4.41Å; I59-F64 HydrophobicContact CG2-CE2 3.49Å; I59-F64 VanDerWaalsContact CG2-CE2 3.49Å; I59-F64 HydrophobicContact CG2-CZ 3.7Å; I59-H91 HydrophobicContact CD1-CB 4.44Å; I59-H91 WeakPolarHBondContact CD1-CD2 3.34Å; I59-H91 WeakPolarHBondContact CD1-NE2 3.44Å
60R92.4Very high90.5Very high139 Ų13968.1 Ų68.153%0.52534%0.344SS..  trans-75.2152177.5-59.9-172.4-62.8-172.3-0.1109.5G58 E62 H63G58-R60 PolarHBondContact O-N 3.37Å; R60-E62 VanDerWaalsContact C-N 3.26Å; R60-E62 HydrophobicContact CB-CG 3.77Å; R60-E62 IonicContact CZ-OE1 3.93Å; R60-E62 IonicContact NE-OE1 2.68Å; R60-E62 PolarHBondContact NE-OE1 3.2Å; R60-E62 IonicContact NH1-OE1 2.63Å; R60-E62 IonicContact NH2-OE1 2.72Å; R60-E62 PolarHBondContact NH2-OE1 2.93Å; R60-E62 PolarHBondContact O-N 3.46Å; R60-H63 PolarHBondContact N-ND1 2.85Å; R60-H63 VanDerWaalsContact N-ND1 3.18Å; R60-H63 PolarHBondContact NE-CE1 3.05Å; R60-H63 VanDerWaalsContact NE-CE1 3.28Å; R60-H63 PolarHBondContact NE-NE2 3.48Å; R60-H63 PolarHBondContact NH2-NE2 2.86Å; R60-H63 VanDerWaalsContact NH2-NE2 3.16Å; R60-H63 WeakPolarHBondContact O-CB 3.28Å; R60-H63 PolarHBondContact O-N 2.9Å
61L90.7Very high89.4Confident83 Ų8369 Ų6944%0.43535%0.353SS..G310 helixtrans-57.1-43.6-177.1-178.462.4000111.3M50 H63 F64 Y65M50-L61 HydrophobicContact SD-CD1 4.27Å; L61-H63 PolarHBondContact O-N 3.33Å; L61-F64 PolarHBondContact O-N 2.9Å; L61-F64 VanDerWaalsContact O-N 3.17Å; L61-Y65 HydrophobicContact CD1-CE2 4.08Å; L61-Y65 HydrophobicContact CG-CE2 4.18Å; L61-Y65 VanDerWaalsContact O-CD2 3.26Å; L61-Y65 WeakPolarHBondContact O-CD2 3.42Å
62E91.8Very high88.5Confident95 Ų9575 Ų7544%0.44438%0.384SS..G310 helixtrans-54.6-32.1175.657.1-177.7-136.800114.1R60 F64 Y65 M66R60-E62 VanDerWaalsContact C-N 3.26Å; R60-E62 HydrophobicContact CB-CG 3.77Å; R60-E62 IonicContact CZ-OE1 3.93Å; R60-E62 IonicContact NE-OE1 2.68Å; R60-E62 PolarHBondContact NE-OE1 3.2Å; R60-E62 IonicContact NH1-OE1 2.63Å; R60-E62 IonicContact NH2-OE1 2.72Å; R60-E62 PolarHBondContact NH2-OE1 2.93Å; R60-E62 PolarHBondContact O-N 3.46Å; E62-F64 PolarHBondContact O-N 2.9Å; E62-Y65 CarbonylContact O-C 3.49Å; E62-Y65 WeakPolarHBondContact O-CA 3.49Å; E62-Y65 WeakPolarHBondContact O-CB 3.5Å; E62-Y65 PolarHBondContact O-N 2.69Å; E62-M66 VanDerWaalsContact O-CG 3.23Å; E62-M66 WeakPolarHBondContact O-CG 3.28Å; E62-M66 PolarHBondContact O-N 3.4Å; E62-M66 VanDerWaalsContact O-N 3.09Å
63H91.7Very high87.7Confident68 Ų6877.5 Ų77.532%0.31540%0.399SS..G310 helixtrans-66.2-27.3-178.1-64.3155.4000112.4I59 R60 L61 Y65 M66 N87I59-H63 HydrophobicContact CG2-CB 3.78Å; R60-H63 PolarHBondContact N-ND1 2.85Å; R60-H63 VanDerWaalsContact N-ND1 3.18Å; R60-H63 PolarHBondContact NE-CE1 3.05Å; R60-H63 VanDerWaalsContact NE-CE1 3.28Å; R60-H63 PolarHBondContact NE-NE2 3.48Å; R60-H63 PolarHBondContact NH2-NE2 2.86Å; R60-H63 VanDerWaalsContact NH2-NE2 3.16Å; R60-H63 WeakPolarHBondContact O-CB 3.28Å; R60-H63 PolarHBondContact O-N 2.9Å; L61-H63 PolarHBondContact O-N 3.33Å; H63-Y65 PolarHBondContact O-N 3.41Å; H63-M66 PolarHBondContact O-N 3.21Å; H63-N87 PolarHBondContact O-ND2 3.01Å
64F92.5Very high86.8Confident0 Ų084.8 Ų84.80%044%0.435CS..G310 helixtrans-67.1-24.3171.7-66.5-80.2000112.1M50 L53 Q54 I59 L61 E62 L83 P84 N87 L88M50-F64 HydrophobicContact CB-CE2 4.28Å; M50-F64 HydrophobicContact CB-CZ 4.28Å; M50-F64 HydrophobicContact CG-CD1 4.3Å; M50-F64 HydrophobicContact CG-CD2 4.4Å; M50-F64 HydrophobicContact CG-CE1 4.19Å; M50-F64 HydrophobicContact CG-CE2 4.29Å; M50-F64 HydrophobicContact CG-CG 4.41Å; M50-F64 HydrophobicContact CG-CZ 4.19Å; M50-F64 HydrophobicContact SD-CD2 4.41Å; M50-F64 HydrophobicContact SD-CG 4.33Å; L53-F64 HydrophobicContact CB-CZ 4.02Å; L53-F64 HydrophobicContact CD1-CE1 3.87Å; L53-F64 HydrophobicContact CD1-CZ 3.97Å; Q54-F64 HydrophobicContact CG-CE2 4.43Å; I59-F64 HydrophobicContact CB-CE2 4.2Å; I59-F64 HydrophobicContact CB-CZ 4.25Å; I59-F64 HydrophobicContact CG2-CD2 4.04Å; I59-F64 HydrophobicContact CG2-CE1 4.41Å; I59-F64 HydrophobicContact CG2-CE2 3.49Å; I59-F64 VanDerWaalsContact CG2-CE2 3.49Å; I59-F64 HydrophobicContact CG2-CZ 3.7Å; L61-F64 PolarHBondContact O-N 2.9Å; L61-F64 VanDerWaalsContact O-N 3.17Å; E62-F64 PolarHBondContact O-N 2.9Å; F64-L83 CarbonylContact O-C 3.03Å; F64-L83 VanDerWaalsContact O-C 3.22Å; F64-P84 VanDerWaalsContact O-CA 3.26Å; F64-P84 WeakPolarHBondContact O-CA 3.4Å; F64-N87 HydrophobicContact CD1-CB 4.39Å; F64-N87 PolarHBondContact O-ND2 3.1Å; F64-L88 HydrophobicContact CD1-CB 4.48Å; F64-L88 HydrophobicContact CE1-CD1 4.13Å
65Y91.5Very high86.1Confident119 Ų11988.5 Ų88.547%0.46745%0.448SS..G310 helixtrans-99.5-4.2-179.9-60.7-98.5000112.8L61 E62 H63 L83 P84L61-Y65 HydrophobicContact CD1-CE2 4.08Å; L61-Y65 HydrophobicContact CG-CE2 4.18Å; L61-Y65 VanDerWaalsContact O-CD2 3.26Å; L61-Y65 WeakPolarHBondContact O-CD2 3.42Å; E62-Y65 CarbonylContact O-C 3.49Å; E62-Y65 WeakPolarHBondContact O-CA 3.49Å; E62-Y65 WeakPolarHBondContact O-CB 3.5Å; E62-Y65 PolarHBondContact O-N 2.69Å; H63-Y65 PolarHBondContact O-N 3.41Å; Y65-L83 WeakPolarHBondContact O-CD1 3.29Å; Y65-P84 HydrophobicContact CD1-CG 3.36Å; Y65-P84 HydrophobicContact CD2-CG 4.47Å; Y65-P84 HydrophobicContact CE1-CB 4.19Å; Y65-P84 HydrophobicContact CE1-CG 3.25Å; Y65-P84 HydrophobicContact CE2-CG 4.38Å; Y65-P84 HydrophobicContact CG-CG 3.99Å
66M89.5Confident85.5Confident111 Ų11189.4 Ų89.455%0.54746%0.458SS..PPolyproline II helixtrans-85.9139.2178.8-61.9-148.882.800111.5E62 H63 N87E62-M66 VanDerWaalsContact O-CG 3.23Å; E62-M66 WeakPolarHBondContact O-CG 3.28Å; E62-M66 PolarHBondContact O-N 3.4Å; E62-M66 VanDerWaalsContact O-N 3.09Å; H63-M66 PolarHBondContact O-N 3.21Å; M66-N87 PolarHBondContact O-ND2 3.03Å
67M84.4Confident84.8Confident57 Ų5794.6 Ų94.628%0.28148%0.481SS..PPolyproline II helixtrans-76.5135.7170.2-173.668.993.900109.7S71 V73 M79 L83M67-S71 WeakPolarHBondContact CG-OG 3.32Å; M67-S71 PolarHBondContact SD-OG 2.9Å; M67-V73 HydrophobicContact CE-CB 3.91Å; M67-V73 HydrophobicContact CE-CG1 4.28Å; M67-V73 HydrophobicContact CE-CG2 3.57Å; M67-V73 HydrophobicContact SD-CG2 4.19Å; M67-M79 HydrophobicContact CE-CB 3.8Å; M67-M79 HydrophobicContact CE-CG 3.99Å; M67-L83 HydrophobicContact CB-CD1 4.3Å; M67-L83 HydrophobicContact CE-CD2 4.41Å; M67-L83 HydrophobicContact SD-CD2 3.76Å
68P80.3Confident84.2Confident73 Ų7395.9 Ų95.947%0.47449%0.493SS..PPolyproline II helixtrans-57.4138.9172.5-23.834.4000111.9N70 S71P68-N70 PolarHBondContact O-N 2.93Å; P68-S71 PolarHBondContact O-N 3.22Å; P68-S71 PolarHBondContact O-OG 3.44Å
69V76.4Confident83.6Confident145 Ų14596.1 Ų96.188%0.87948%0.481SS*.THydrogen-bonded Turntrans-59.4-23.6-175.8-177.30000112.9
70N74.8Confident83.1Confident158 Ų158101.7 Ų101.785%0.84551%0.507SS*.THydrogen-bonded Turntrans-99.611.2-174.7-62-13.2000114.5P68P68-N70 PolarHBondContact O-N 2.93Å
71S73Confident82.7Confident45 Ų4598.6 Ų98.632%0.31552%0.518SS..  trans-99107.817960.20000111.8M67 P68 V73M67-S71 WeakPolarHBondContact CG-OG 3.32Å; M67-S71 PolarHBondContact SD-OG 2.9Å; P68-S71 PolarHBondContact O-N 3.22Å; P68-S71 PolarHBondContact O-OG 3.44Å; S71-V73 PolarHBondContact O-N 2.92Å
72E76.6Confident82.6Confident203 Ų20399.3 Ų99.395%0.94952%0.517SS*.  trans-74.887.3167.9-70.8-176.7178.500109.7
73V77.7Confident82.5Confident52 Ų5295.4 Ų95.432%0.31550%0.5SS..  trans-102.5120.2176.3-175.60000109.7M67 S71 Y75 P76 M79M67-V73 HydrophobicContact CE-CB 3.91Å; M67-V73 HydrophobicContact CE-CG1 4.28Å; M67-V73 HydrophobicContact CE-CG2 3.57Å; M67-V73 HydrophobicContact SD-CG2 4.19Å; S71-V73 PolarHBondContact O-N 2.92Å; V73-Y75 PolarHBondContact O-N 3.36Å; V73-P76 WeakPolarHBondContact O-CD 3.09Å; V73-M79 HydrophobicContact CG1-CG 3.84Å
74M78.2Confident82.5Confident152 Ų15293.1 Ų93.175%0.74949%0.491SS*.SBendtrans-58.8-29.4-177.6-166-172.3170.200113.5
75Y80.4Confident82.4Confident120 Ų12094.5 Ų94.547%0.47150%0.497SS..  trans-136.981.7-179.7-58.2-70.8000112V73 H77 L78V73-Y75 PolarHBondContact O-N 3.36Å; Y75-H77 VanDerWaalsContact C-N 3.27Å; Y75-H77 AromaticContact CD1-CE1 3.85Å; Y75-H77 PolarHBondContact O-N 3.28Å; Y75-L78 HydrophobicContact CD2-CD1 4.44Å; Y75-L78 HydrophobicContact CG-CD1 4.27Å; Y75-L78 PolarHBondContact O-N 2.89Å
76P79.4Confident82.4Confident78 Ų7890.7 Ų90.751%0.50649%0.488SS..Hα-helixtrans-60.2-32.6-175.5-25.935.4000114.4V73 L78 M79 E80V73-P76 WeakPolarHBondContact O-CD 3.09Å; P76-L78 VanDerWaalsContact C-N 3.28Å; P76-L78 PolarHBondContact O-N 2.95Å; P76-M79 WeakPolarHBondContact O-CB 3.47Å; P76-M79 PolarHBondContact O-N 3.32Å; P76-E80 PolarHBondContact O-N 3.24Å
77H80.3Confident82.6Confident124 Ų12486.2 Ų86.257%0.57447%0.466SS*.Hα-helixtrans-64.1-29.2-179.563.9-86.7000113.5Y75 M79Y75-H77 VanDerWaalsContact C-N 3.27Å; Y75-H77 AromaticContact CD1-CE1 3.85Å; Y75-H77 PolarHBondContact O-N 3.28Å; H77-M79 PolarHBondContact O-N 2.86Å
78L80.4Confident83.1Confident120 Ų12083.5 Ų83.563%0.62845%0.453SS*.Hα-helixtrans-71.4-22.6175.3-63179.2000111.9Y75 P76Y75-L78 HydrophobicContact CD2-CD1 4.44Å; Y75-L78 HydrophobicContact CG-CD1 4.27Å; Y75-L78 PolarHBondContact O-N 2.89Å; P76-L78 VanDerWaalsContact C-N 3.28Å; P76-L78 PolarHBondContact O-N 2.95Å
79M81.1Confident83.7Confident60 Ų6080.7 Ų80.730%0.29643%0.434SS..Hα-helixtrans-88.5-18.2-178.3-61.2-59-75.700112.9M67 V73 P76 H77 G81 F82 L83M67-M79 HydrophobicContact CE-CB 3.8Å; M67-M79 HydrophobicContact CE-CG 3.99Å; V73-M79 HydrophobicContact CG1-CG 3.84Å; P76-M79 WeakPolarHBondContact O-CB 3.47Å; P76-M79 PolarHBondContact O-N 3.32Å; H77-M79 PolarHBondContact O-N 2.86Å; M79-G81 VanDerWaalsContact C-N 3.27Å; M79-G81 PolarHBondContact O-N 2.84Å; M79-G81 VanDerWaalsContact O-N 3.17Å; M79-F82 HydrophobicContact CE-CD1 3.66Å; M79-F82 HydrophobicContact CE-CE1 4.24Å; M79-F82 CarbonylContact O-C 3.53Å; M79-F82 WeakPolarHBondContact O-CA 3.5Å; M79-F82 PolarHBondContact O-N 3.1Å; M79-L83 HydrophobicContact CB-CG 4.4Å; M79-L83 WeakPolarHBondContact O-CG 3.2Å; M79-L83 PolarHBondContact O-N 2.8Å
80E82.8Confident84.5Confident134 Ų13477.7 Ų77.763%0.62642%0.416SS*.THydrogen-bonded Turntrans-53.5-42.2-173.4-169.5175.1-175.700112.9P76 P84P76-E80 PolarHBondContact O-N 3.24Å; E80-P84 WeakPolarHBondContact O-CD 3.43Å
81G84Confident85.5Confident74 Ų7472.8 Ų72.876%0.76339%0.388SS*.THydrogen-bonded Turntrans-73.5-23.7175.700000114.7M79M79-G81 VanDerWaalsContact C-N 3.27Å; M79-G81 PolarHBondContact O-N 2.84Å; M79-G81 VanDerWaalsContact O-N 3.17Å
82F88.1Confident86.6Confident97 Ų9770.7 Ų70.743%0.42537%0.373SS..THydrogen-bonded Turntrans-90.5-23.8-179.9-176.5-108.9000113M79 F85 S86M79-F82 HydrophobicContact CE-CD1 3.66Å; M79-F82 HydrophobicContact CE-CE1 4.24Å; M79-F82 CarbonylContact O-C 3.53Å; M79-F82 WeakPolarHBondContact O-CA 3.5Å; M79-F82 PolarHBondContact O-N 3.1Å; F82-F85 AromaticContact CD2-CD1 3.94Å; F82-F85 HydrophobicContact CD2-CD1 3.94Å; F82-F85 AromaticContact CE2-CD1 3.36Å; F82-F85 HydrophobicContact CE2-CD1 3.36Å; F82-F85 AromaticContact CE2-CE1 3.78Å; F82-F85 HydrophobicContact CE2-CE1 3.78Å; F82-F85 HydrophobicContact CE2-CG 4.44Å; F82-F85 AromaticContact CZ-CD1 3.89Å; F82-F85 HydrophobicContact CZ-CD1 3.89Å; F82-F85 HydrophobicContact CZ-CE1 4.16Å; F82-F85 PolarHBondContact O-N 3.31Å; F82-S86 WeakPolarHBondContact O-CB 3.27Å; F82-S86 PolarHBondContact O-N 2.97Å
83L90.5Very high87.5Confident13 Ų1365 Ų657%0.06835%0.349CS..Hα-helixtrans-54.3-48.2-177.8-79.1173.4000113.5F64 Y65 M67 M79 F85 S86 N87F64-L83 CarbonylContact O-C 3.03Å; F64-L83 VanDerWaalsContact O-C 3.22Å; Y65-L83 WeakPolarHBondContact O-CD1 3.29Å; M67-L83 HydrophobicContact CB-CD1 4.3Å; M67-L83 HydrophobicContact CE-CD2 4.41Å; M67-L83 HydrophobicContact SD-CD2 3.76Å; M79-L83 HydrophobicContact CB-CG 4.4Å; M79-L83 WeakPolarHBondContact O-CG 3.2Å; M79-L83 PolarHBondContact O-N 2.8Å; L83-F85 VanDerWaalsContact C-N 3.27Å; L83-F85 PolarHBondContact O-N 3.33Å; L83-S86 PolarHBondContact O-N 3.48Å; L83-N87 VanDerWaalsContact O-CB 3.23Å; L83-N87 WeakPolarHBondContact O-CB 3.38Å; L83-N87 PolarHBondContact O-N 2.95Å; L83-N87 PolarHBondContact O-ND2 3.47Å
84P90.9Very high88.3Confident20 Ų2066.1 Ų66.113%0.1336%0.359CS..Hα-helixtrans-59.6-39.2179.8-2636.6000112.7F64 Y65 E80 L88F64-P84 VanDerWaalsContact O-CA 3.26Å; F64-P84 WeakPolarHBondContact O-CA 3.4Å; Y65-P84 HydrophobicContact CD1-CG 3.36Å; Y65-P84 HydrophobicContact CD2-CG 4.47Å; Y65-P84 HydrophobicContact CE1-CB 4.19Å; Y65-P84 HydrophobicContact CE1-CG 3.25Å; Y65-P84 HydrophobicContact CE2-CG 4.38Å; Y65-P84 HydrophobicContact CG-CG 3.99Å; E80-P84 WeakPolarHBondContact O-CD 3.43Å; P84-L88 WeakPolarHBondContact O-CB 3.38Å; P84-L88 PolarHBondContact O-N 2.99Å
85F91.3Very high89.2Confident30 Ų3058.9 Ų58.913%0.13232%0.324CS..Hα-helixtrans-68.1-52.5176.3171.6-95.3000111.3H46 F82 L83 N87 L88 V89 I109 L110H46-F85 AromaticContact NE2-CD2 3.8Å; F82-F85 AromaticContact CD2-CD1 3.94Å; F82-F85 HydrophobicContact CD2-CD1 3.94Å; F82-F85 AromaticContact CE2-CD1 3.36Å; F82-F85 HydrophobicContact CE2-CD1 3.36Å; F82-F85 AromaticContact CE2-CE1 3.78Å; F82-F85 HydrophobicContact CE2-CE1 3.78Å; F82-F85 HydrophobicContact CE2-CG 4.44Å; F82-F85 AromaticContact CZ-CD1 3.89Å; F82-F85 HydrophobicContact CZ-CD1 3.89Å; F82-F85 HydrophobicContact CZ-CE1 4.16Å; F82-F85 PolarHBondContact O-N 3.31Å; L83-F85 VanDerWaalsContact C-N 3.27Å; L83-F85 PolarHBondContact O-N 3.33Å; F85-N87 PolarHBondContact O-N 3.44Å; F85-L88 WeakPolarHBondContact O-CB 3.34Å; F85-L88 PolarHBondContact O-N 2.94Å; F85-V89 HydrophobicContact CD1-CG2 4.43Å; F85-V89 HydrophobicContact CD2-CG2 4.41Å; F85-V89 HydrophobicContact CE1-CG2 3.98Å; F85-V89 HydrophobicContact CE2-CG2 3.94Å; F85-V89 HydrophobicContact CZ-CG2 3.72Å; F85-V89 WeakPolarHBondContact O-CG2 3.39Å; F85-V89 PolarHBondContact O-N 3.22Å; F85-I109 HydrophobicContact CD2-CG2 3.84Å; F85-I109 HydrophobicContact CE2-CB 3.95Å; F85-I109 HydrophobicContact CE2-CD1 4.33Å; F85-I109 HydrophobicContact CE2-CG2 3.66Å; F85-L110 HydrophobicContact CD2-CD2 3.91Å; F85-L110 HydrophobicContact CE2-CD1 4.16Å; F85-L110 HydrophobicContact CE2-CD2 3.41Å; F85-L110 VanDerWaalsContact CE2-CD2 3.41Å; F85-L110 HydrophobicContact CE2-CG 3.55Å; F85-L110 HydrophobicContact CZ-CD1 3.81Å; F85-L110 HydrophobicContact CZ-CD2 3.86Å; F85-L110 HydrophobicContact CZ-CG 3.73Å
86S90.7Very high90Very high39 Ų3953.2 Ų53.227%0.27330%0.302SS..Hα-helixtrans-59.1-47.7-178.3-173.80000112.2F82 L83 L88 V89 T90F82-S86 WeakPolarHBondContact O-CB 3.27Å; F82-S86 PolarHBondContact O-N 2.97Å; L83-S86 PolarHBondContact O-N 3.48Å; S86-L88 VanDerWaalsContact C-N 3.35Å; S86-L88 PolarHBondContact O-N 3.02Å; S86-V89 PolarHBondContact O-N 2.99Å; S86-T90 PolarHBondContact O-N 3.09Å; S86-T90 PolarHBondContact O-OG1 3.44Å
87N92.8Very high90.8Very high17 Ų1752.2 Ų52.29%0.09130%0.295CS..Hα-helixtrans-65.8-39.2177.4-72.4-24.5000110.7H63 F64 M66 L83 F85 T90 H91H63-N87 PolarHBondContact O-ND2 3.01Å; F64-N87 HydrophobicContact CD1-CB 4.39Å; F64-N87 PolarHBondContact O-ND2 3.1Å; M66-N87 PolarHBondContact O-ND2 3.03Å; L83-N87 VanDerWaalsContact O-CB 3.23Å; L83-N87 WeakPolarHBondContact O-CB 3.38Å; L83-N87 PolarHBondContact O-N 2.95Å; L83-N87 PolarHBondContact O-ND2 3.47Å; F85-N87 PolarHBondContact O-N 3.44Å; N87-T90 PolarHBondContact O-N 3.08Å; N87-H91 PolarHBondContact O-N 2.96Å; N87-H91 PolarHBondContact O-ND1 3.37Å
88L94.6Very high91.5Very high0 Ų050.1 Ų50.10%029%0.288CS..Hα-helixtrans-61.6-47.5175.9-179.961.9000112H46 M50 L53 F64 P84 F85 S86 T90 H91 L92 I109H46-L88 HydrophobicContact CB-CD2 4.25Å; M50-L88 HydrophobicContact CG-CD1 3.96Å; M50-L88 HydrophobicContact CG-CD2 4.41Å; L53-L88 HydrophobicContact CD1-CD1 3.6Å; F64-L88 HydrophobicContact CD1-CB 4.48Å; F64-L88 HydrophobicContact CE1-CD1 4.13Å; P84-L88 WeakPolarHBondContact O-CB 3.38Å; P84-L88 PolarHBondContact O-N 2.99Å; F85-L88 WeakPolarHBondContact O-CB 3.34Å; F85-L88 PolarHBondContact O-N 2.94Å; S86-L88 VanDerWaalsContact C-N 3.35Å; S86-L88 PolarHBondContact O-N 3.02Å; L88-T90 VanDerWaalsContact C-N 3.35Å; L88-T90 PolarHBondContact O-N 3.33Å; L88-H91 PolarHBondContact O-N 2.92Å; L88-L92 HydrophobicContact CD1-CD1 3.97Å; L88-L92 HydrophobicContact CD1-CG 4.08Å; L88-L92 HydrophobicContact CG-CD1 3.88Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 VanDerWaalsContact O-CG 3.32Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.26Å; L88-I109 HydrophobicContact CD2-CD1 4.12Å; L88-I109 HydrophobicContact CG-CD1 4.16Å
89V94.2Very high92.2Very high13 Ų1344.6 Ų44.68%0.07926%0.259CS..Hα-helixtrans-56-51175.7170.40000110.3F85 S86 H91 L92 D93 T106 I109F85-V89 HydrophobicContact CD1-CG2 4.43Å; F85-V89 HydrophobicContact CD2-CG2 4.41Å; F85-V89 HydrophobicContact CE1-CG2 3.98Å; F85-V89 HydrophobicContact CE2-CG2 3.94Å; F85-V89 HydrophobicContact CZ-CG2 3.72Å; F85-V89 WeakPolarHBondContact O-CG2 3.39Å; F85-V89 PolarHBondContact O-N 3.22Å; S86-V89 PolarHBondContact O-N 2.99Å; V89-H91 VanDerWaalsContact C-N 3.31Å; V89-H91 PolarHBondContact O-N 3.37Å; V89-L92 PolarHBondContact O-N 2.76Å; V89-L92 VanDerWaalsContact O-N 3.07Å; V89-D93 PolarHBondContact O-N 3.4Å; V89-T106 HydrophobicContact CG1-CG2 3.79Å; V89-T106 HydrophobicContact CG2-CG2 4.09Å; V89-I109 HydrophobicContact CG2-CD1 3.59Å
90T93.3Very high92.8Very high83 Ų8350.1 Ų50.151%0.50928%0.276SS..Hα-helixtrans-56.4-44.6-178.4-56.80000112.1S86 N87 L88 S94S86-T90 PolarHBondContact O-N 3.09Å; S86-T90 PolarHBondContact O-OG1 3.44Å; N87-T90 PolarHBondContact O-N 3.08Å; L88-T90 VanDerWaalsContact C-N 3.35Å; L88-T90 PolarHBondContact O-N 3.33Å; T90-S94 PolarHBondContact O-N 3.29Å
91H95.4Very high93.3Very high55 Ų5543.9 Ų43.926%0.25525%0.247SC..Hα-helixtrans-72.1-35.3178.1-69.5102.2000112.7L53 I59 N87 L88 V89 S94 F95L53-H91 HydrophobicContact CD1-CB 3.54Å; L53-H91 HydrophobicContact CD2-CB 4.02Å; L53-H91 HydrophobicContact CG-CB 4.41Å; I59-H91 HydrophobicContact CD1-CB 4.44Å; I59-H91 WeakPolarHBondContact CD1-CD2 3.34Å; I59-H91 WeakPolarHBondContact CD1-NE2 3.44Å; N87-H91 PolarHBondContact O-N 2.96Å; N87-H91 PolarHBondContact O-ND1 3.37Å; L88-H91 PolarHBondContact O-N 2.92Å; V89-H91 VanDerWaalsContact C-N 3.31Å; V89-H91 PolarHBondContact O-N 3.37Å; H91-S94 PolarHBondContact O-N 2.94Å; H91-F95 WeakPolarHBondContact O-CB 3.44Å; H91-F95 PolarHBondContact O-N 2.99Å
92L96.5Very high93.8Very high0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-69.4-38176.9-75.8177.6000112.4Y49 L53 L88 V89 S94 F95 L96 F104 I109Y49-L92 HydrophobicContact CD1-CD1 4.5Å; Y49-L92 HydrophobicContact CD1-CD2 4.27Å; Y49-L92 HydrophobicContact CD2-CD1 3.82Å; Y49-L92 HydrophobicContact CE2-CD1 4.41Å; Y49-L92 HydrophobicContact CG-CD1 3.87Å; Y49-L92 HydrophobicContact CG-CD2 4.25Å; L53-L92 HydrophobicContact CD1-CD2 4.29Å; L53-L92 HydrophobicContact CD1-CG 4.32Å; L53-L92 HydrophobicContact CG-CD2 4.45Å; L88-L92 HydrophobicContact CD1-CD1 3.97Å; L88-L92 HydrophobicContact CD1-CG 4.08Å; L88-L92 HydrophobicContact CG-CD1 3.88Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 VanDerWaalsContact O-CG 3.32Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.26Å; V89-L92 PolarHBondContact O-N 2.76Å; V89-L92 VanDerWaalsContact O-N 3.07Å; L92-S94 PolarHBondContact O-N 2.96Å; L92-F95 HydrophobicContact CD2-CD1 4.18Å; L92-F95 PolarHBondContact O-N 3.45Å; L92-F95 VanDerWaalsContact O-N 3.11Å; L92-L96 HydrophobicContact CB-CD1 4.07Å; L92-L96 HydrophobicContact CB-CG 4.42Å; L92-L96 HydrophobicContact CD2-CD1 4.34Å; L92-L96 HydrophobicContact CD2-CG 4.25Å; L92-L96 VanDerWaalsContact O-CB 3.32Å; L92-L96 WeakPolarHBondContact O-CB 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 3.24Å; L92-F104 HydrophobicContact CB-CD1 4.49Å; L92-F104 HydrophobicContact CB-CE1 3.78Å; L92-F104 HydrophobicContact CB-CZ 3.88Å; L92-F104 HydrophobicContact CD1-CE1 4.5Å; L92-F104 HydrophobicContact CD1-CE2 4.22Å; L92-F104 HydrophobicContact CD1-CZ 3.76Å; L92-F104 HydrophobicContact CG-CZ 4.49Å; L92-I109 HydrophobicContact CD1-CD1 3.84Å; L92-I109 HydrophobicContact CD1-CG1 4.39Å
93D95.2Very high94.1Very high84 Ų8445 Ų4545%0.44924%0.24SC..Hα-helixtrans-59.4-36.2174.5-76.2-21.5000111.6V89 P97 F104V89-D93 PolarHBondContact O-N 3.4Å; D93-P97 WeakPolarHBondContact O-CD 3.46Å; D93-P97 VanDerWaalsContact O-CG 3.28Å; D93-P97 WeakPolarHBondContact O-CG 3.38Å; D93-F104 VanDerWaalsContact OD1-CD1 3.22Å; D93-F104 WeakPolarHBondContact OD1-CD1 3.41Å; D93-F104 WeakPolarHBondContact OD1-CE1 3.38Å
94S95.1Very high94.3Very high75 Ų7545.5 Ų45.552%0.52424%0.242SC..Hα-helixtrans-75.7-37.8173.3-177.60000112.8T90 H91 L92T90-S94 PolarHBondContact O-N 3.29Å; H91-S94 PolarHBondContact O-N 2.94Å; L92-S94 PolarHBondContact O-N 2.96Å
95F97.1Very high94.5Very high1 Ų150.1 Ų50.10%0.00426%0.262CS..Hα-helixtrans-83.6-41.4-171175.9-127.7000114.7L53 V56 Y57 H91 L92 I98 C99 I124 F127L53-F95 HydrophobicContact CD2-CB 3.82Å; L53-F95 HydrophobicContact CD2-CD1 3.81Å; L53-F95 HydrophobicContact CD2-CG 3.88Å; V56-F95 HydrophobicContact CB-CE2 4.14Å; V56-F95 HydrophobicContact CB-CZ 4.45Å; V56-F95 HydrophobicContact CG1-CD2 4.16Å; V56-F95 HydrophobicContact CG1-CE2 3.77Å; V56-F95 HydrophobicContact CG2-CE2 3.85Å; V56-F95 HydrophobicContact CG2-CZ 3.81Å; Y57-F95 HydrophobicContact CE2-CB 3.93Å; Y57-F95 HydrophobicContact CE2-CD2 4.34Å; Y57-F95 HydrophobicContact CE2-CG 4.38Å; H91-F95 WeakPolarHBondContact O-CB 3.44Å; H91-F95 PolarHBondContact O-N 2.99Å; L92-F95 HydrophobicContact CD2-CD1 4.18Å; L92-F95 PolarHBondContact O-N 3.45Å; L92-F95 VanDerWaalsContact O-N 3.11Å; F95-I98 VanDerWaalsContact O-CB 3.27Å; F95-I98 WeakPolarHBondContact O-CB 3.49Å; F95-I98 PolarHBondContact O-N 2.84Å; F95-I98 VanDerWaalsContact O-N 3.1Å; F95-C99 WeakPolarHBondContact CE2-SG 3.49Å; F95-C99 WeakPolarHBondContact CZ-SG 3.33Å; F95-C99 PolarHBondContact O-N 3.4Å; F95-I124 HydrophobicContact CE1-CD1 4.48Å; F95-I124 HydrophobicContact CE1-CG1 3.99Å; F95-I124 HydrophobicContact CE1-CG2 4.16Å; F95-I124 HydrophobicContact CZ-CG2 4.36Å; F95-F127 AromaticContact CE2-CD1 3.59Å; F95-F127 HydrophobicContact CE2-CD1 3.59Å; F95-F127 AromaticContact CE2-CE1 3.65Å; F95-F127 HydrophobicContact CE2-CE1 3.65Å; F95-F127 HydrophobicContact CE2-CG 4.43Å; F95-F127 AromaticContact CZ-CD1 3.89Å; F95-F127 HydrophobicContact CZ-CD1 3.89Å; F95-F127 HydrophobicContact CZ-CE1 4.33Å
96L96.5Very high94.6Very high0 Ų052.2 Ų52.20%028%0.277CS..THydrogen-bonded Turntrans-65.1-36.2-173.2-73.2174000113.8L92 I98 C99 R100 V101 F104 I124L92-L96 HydrophobicContact CB-CD1 4.07Å; L92-L96 HydrophobicContact CB-CG 4.42Å; L92-L96 HydrophobicContact CD2-CD1 4.34Å; L92-L96 HydrophobicContact CD2-CG 4.25Å; L92-L96 VanDerWaalsContact O-CB 3.32Å; L92-L96 WeakPolarHBondContact O-CB 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 3.24Å; L96-I98 PolarHBondContact O-N 3.38Å; L96-C99 CarbonylContact O-C 3.22Å; L96-C99 VanDerWaalsContact O-CA 3.3Å; L96-C99 WeakPolarHBondContact O-CA 3.33Å; L96-C99 VanDerWaalsContact O-CB 3.31Å; L96-C99 WeakPolarHBondContact O-CB 3.41Å; L96-C99 PolarHBondContact O-N 3.22Å; L96-R100 PolarHBondContact O-N 3.34Å; L96-V101 CarbonylContact C-O 3.34Å; L96-V101 HydrophobicContact CB-CB 4.06Å; L96-V101 HydrophobicContact CB-CG1 4.19Å; L96-V101 HydrophobicContact CD2-CB 4.33Å; L96-V101 HydrophobicContact CD2-CG1 4.41Å; L96-V101 PolarHBondContact O-N 3.12Å; L96-V101 VanDerWaalsContact O-O 3.1Å; L96-F104 HydrophobicContact CD1-CB 3.54Å; L96-F104 HydrophobicContact CD1-CD1 3.67Å; L96-F104 HydrophobicContact CD1-CD2 3.26Å; L96-F104 HydrophobicContact CD1-CE1 4.15Å; L96-F104 HydrophobicContact CD1-CE2 3.79Å; L96-F104 HydrophobicContact CD1-CG 3.18Å; L96-F104 HydrophobicContact CD1-CZ 4.2Å; L96-I124 HydrophobicContact CD2-CD1 3.93Å; L96-I124 HydrophobicContact CD2-CG1 3.86Å
97P95.8Very high94.7Very high57 Ų5752.4 Ų52.437%0.3728%0.281SS..THydrogen-bonded Turntrans-58.4-34.8171.6-28.437.3000113.2D93 C99 R100 N102D93-P97 WeakPolarHBondContact O-CD 3.46Å; D93-P97 VanDerWaalsContact O-CG 3.28Å; D93-P97 WeakPolarHBondContact O-CG 3.38Å; P97-C99 VanDerWaalsContact C-N 3.28Å; P97-C99 PolarHBondContact O-N 2.97Å; P97-R100 WeakPolarHBondContact O-CA 3.29Å; P97-R100 PolarHBondContact O-N 3.13Å; P97-N102 WeakPolarHBondContact CA-OD1 3.45Å
98I94.7Very high94.8Very high81 Ų8151.9 Ų51.942%0.41528%0.278SS..THydrogen-bonded Turntrans-65-37174.2-49.9176.5000110.3Y57 F95 L96 R100 F127Y57-I98 VanDerWaalsContact OH-CD1 3.23Å; Y57-I98 WeakPolarHBondContact OH-CD1 3.48Å; F95-I98 VanDerWaalsContact O-CB 3.27Å; F95-I98 WeakPolarHBondContact O-CB 3.49Å; F95-I98 PolarHBondContact O-N 2.84Å; F95-I98 VanDerWaalsContact O-N 3.1Å; L96-I98 PolarHBondContact O-N 3.38Å; I98-R100 PolarHBondContact O-N 2.95Å; I98-F127 HydrophobicContact CG2-CD2 4Å; I98-F127 HydrophobicContact CG2-CE2 3.44Å; I98-F127 VanDerWaalsContact CG2-CE2 3.44Å; I98-F127 HydrophobicContact CG2-CZ 3.92Å
99C95.2Very high94.7Very high3 Ų351.9 Ų51.92%0.0228%0.278CS..THydrogen-bonded Turntrans-74.85.5172-58.30000113.8F6 F95 L96 P97 V101 F127F6-C99 WeakPolarHBondContact CE1-O 3.41Å; F95-C99 WeakPolarHBondContact CE2-SG 3.49Å; F95-C99 WeakPolarHBondContact CZ-SG 3.33Å; F95-C99 PolarHBondContact O-N 3.4Å; L96-C99 CarbonylContact O-C 3.22Å; L96-C99 VanDerWaalsContact O-CA 3.3Å; L96-C99 WeakPolarHBondContact O-CA 3.33Å; L96-C99 VanDerWaalsContact O-CB 3.31Å; L96-C99 WeakPolarHBondContact O-CB 3.41Å; L96-C99 PolarHBondContact O-N 3.22Å; P97-C99 VanDerWaalsContact C-N 3.28Å; P97-C99 PolarHBondContact O-N 2.97Å; C99-V101 VanDerWaalsContact C-N 3.28Å; C99-V101 PolarHBondContact O-N 2.8Å; C99-F127 HydrophobicContact CB-CB 4.3Å
100R93.8Very high94.7Very high177 Ų17755.8 Ų55.867%0.66830%0.298SS*.THydrogen-bonded Turntrans63.728.7-175-52.4-64.9-169.2156.10.6113.9F6 L96 P97 I98F6-R100 HydrophobicContact CD1-CB 3.99Å; F6-R100 HydrophobicContact CE1-CB 4Å; L96-R100 PolarHBondContact O-N 3.34Å; P97-R100 WeakPolarHBondContact O-CA 3.29Å; P97-R100 PolarHBondContact O-N 3.13Å; I98-R100 PolarHBondContact O-N 2.95Å
101V94.2Very high94.7Very high3 Ų356.2 Ų56.22%0.01830%0.304CS..  trans-110.8104.1172.7173.30000108F6 L96 C99 F104 F120F6-V101 HydrophobicContact CE1-CG2 4.11Å; F6-V101 HydrophobicContact CZ-CG2 3.89Å; L96-V101 CarbonylContact C-O 3.34Å; L96-V101 HydrophobicContact CB-CB 4.06Å; L96-V101 HydrophobicContact CB-CG1 4.19Å; L96-V101 HydrophobicContact CD2-CB 4.33Å; L96-V101 HydrophobicContact CD2-CG1 4.41Å; L96-V101 PolarHBondContact O-N 3.12Å; L96-V101 VanDerWaalsContact O-O 3.1Å; C99-V101 VanDerWaalsContact C-N 3.28Å; C99-V101 PolarHBondContact O-N 2.8Å; V101-F104 HydrophobicContact CG1-CB 4.38Å; V101-F120 HydrophobicContact CB-CD1 4.33Å; V101-F120 HydrophobicContact CG1-CD1 3.28Å; V101-F120 HydrophobicContact CG1-CE1 3.3Å; V101-F120 HydrophobicContact CG1-CG 4.16Å; V101-F120 HydrophobicContact CG1-CZ 4.2Å; V101-F120 HydrophobicContact CG2-CD1 4.06Å
102N93.4Very high94.7Very high131 Ų13154.4 Ų54.470%0.70130%0.297SS*.  trans-106.6-8-173.3-59.5-39.4000113.7P97P97-N102 WeakPolarHBondContact CA-OD1 3.45Å
103D94.1Very high94.7Very high64 Ų6461.2 Ų61.234%0.34233%0.326SS..  trans-111.636-174.469.3-34000112R116 R119D103-R116 PolarHBondContact O-NH2 2.94Å; D103-R116 IonicContact OD2-NH1 2.73Å; D103-R116 PolarHBondContact OD2-NH1 3.43Å; D103-R119 IonicContact OD1-CZ 2.72Å; D103-R119 VanDerWaalsContact OD1-CZ 3.27Å; D103-R119 IonicContact OD1-NH1 2.95Å; D103-R119 PolarHBondContact OD1-NH1 3.26Å; D103-R119 IonicContact OD1-NH2 2.85Å; D103-R119 PolarHBondContact OD1-NH2 3.09Å; D103-R119 IonicContact OD2-CZ 2.87Å; D103-R119 IonicContact OD2-NH1 2.74Å; D103-R119 PolarHBondContact OD2-NH1 3.45Å; D103-R119 IonicContact OD2-NH2 3.38Å; D103-R119 PolarHBondContact OD2-NH2 2.87Å
104F95.1Very high94.7Very high23 Ų2358.1 Ų58.110%0.10131%0.313CS..  trans-80.9138.6175.8170-103000110.9L92 D93 L96 V101 D108 I109 F120L92-F104 HydrophobicContact CB-CD1 4.49Å; L92-F104 HydrophobicContact CB-CE1 3.78Å; L92-F104 HydrophobicContact CB-CZ 3.88Å; L92-F104 HydrophobicContact CD1-CE1 4.5Å; L92-F104 HydrophobicContact CD1-CE2 4.22Å; L92-F104 HydrophobicContact CD1-CZ 3.76Å; L92-F104 HydrophobicContact CG-CZ 4.49Å; D93-F104 VanDerWaalsContact OD1-CD1 3.22Å; D93-F104 WeakPolarHBondContact OD1-CD1 3.41Å; D93-F104 WeakPolarHBondContact OD1-CE1 3.38Å; L96-F104 HydrophobicContact CD1-CB 3.54Å; L96-F104 HydrophobicContact CD1-CD1 3.67Å; L96-F104 HydrophobicContact CD1-CD2 3.26Å; L96-F104 HydrophobicContact CD1-CE1 4.15Å; L96-F104 HydrophobicContact CD1-CE2 3.79Å; L96-F104 HydrophobicContact CD1-CG 3.18Å; L96-F104 HydrophobicContact CD1-CZ 4.2Å; V101-F104 HydrophobicContact CG1-CB 4.38Å; F104-D108 HydrophobicContact CD2-CB 4.06Å; F104-D108 HydrophobicContact CE2-CB 4.02Å; F104-I109 HydrophobicContact CE2-CG1 3.99Å; F104-I109 HydrophobicContact CZ-CD1 3.85Å; F104-I109 HydrophobicContact CZ-CG1 3.78Å; F104-F120 HydrophobicContact CD2-CD2 4.45Å; F104-F120 HydrophobicContact CD2-CE2 4.13Å
105E94.9Very high94.6Very high116 Ų11663.2 Ų63.254%0.54233%0.325SS..  trans-133.4158.8179.2-64.7173.8-170.900110.6A107 D108E105-A107 PolarHBondContact O-N 2.93Å; E105-A107 VanDerWaalsContact O-N 3.14Å; E105-D108 PolarHBondContact N-OD2 3.04Å; E105-D108 VanDerWaalsContact O-CB 3.28Å; E105-D108 WeakPolarHBondContact O-CB 3.35Å; E105-D108 PolarHBondContact O-N 3.38Å
106T93.1Very high94.5Very high74 Ų7465.9 Ų65.945%0.45434%0.335SS..THydrogen-bonded Turntrans-57.3-30.3175.953.70000113.1V89 D108 I109 L110V89-T106 HydrophobicContact CG1-CG2 3.79Å; V89-T106 HydrophobicContact CG2-CG2 4.09Å; T106-D108 PolarHBondContact O-N 2.96Å; T106-I109 PolarHBondContact O-N 3.45Å; T106-I109 VanDerWaalsContact O-N 3.14Å; T106-L110 PolarHBondContact O-N 3.03Å
107A94.3Very high94.5Very high44 Ų4465.9 Ų65.936%0.36434%0.335SS..Hα-helixtrans-61.2-25174.200000113.1E105 I109 C111E105-A107 PolarHBondContact O-N 2.93Å; E105-A107 VanDerWaalsContact O-N 3.14Å; A107-I109 PolarHBondContact O-N 3.28Å; A107-C111 CarbonylContact O-C 3.16Å; A107-C111 WeakPolarHBondContact O-CA 3.19Å; A107-C111 PolarHBondContact O-N 2.87Å
108D94.7Very high94.5Very high5 Ų564.6 Ų64.63%0.02733%0.327CS..Hα-helixtrans-75-14.2178.3-64.1-56.6000113.7F104 E105 T106 P112 R116 F120F104-D108 HydrophobicContact CD2-CB 4.06Å; F104-D108 HydrophobicContact CE2-CB 4.02Å; E105-D108 PolarHBondContact N-OD2 3.04Å; E105-D108 VanDerWaalsContact O-CB 3.28Å; E105-D108 WeakPolarHBondContact O-CB 3.35Å; E105-D108 PolarHBondContact O-N 3.38Å; T106-D108 PolarHBondContact O-N 2.96Å; D108-P112 WeakPolarHBondContact O-CB 3.38Å; D108-R116 IonicContact OD1-CZ 2.6Å; D108-R116 IonicContact OD1-NE 3.02Å; D108-R116 PolarHBondContact OD1-NE 2.91Å; D108-R116 IonicContact OD1-NH2 2.94Å; D108-R116 PolarHBondContact OD1-NH2 2.87Å; D108-R116 IonicContact OD2-CZ 2.8Å; D108-R116 IonicContact OD2-NE 3.54Å; D108-R116 IonicContact OD2-NH2 3.96Å; D108-R116 PolarHBondContact OD2-NH2 3.46Å; D108-F120 HydrophobicContact CB-CD2 4.47Å; D108-F120 HydrophobicContact CB-CE2 3.8Å; D108-F120 VanDerWaalsContact CG-CE2 3.49Å; D108-F120 WeakPolarHBondContact OD2-CE2 3.27Å
109I93.1Very high94.5Very high0 Ų062.5 Ų62.50%031%0.314CS..Hα-helixtrans-92.4-49169.6-61.4-173.2000110.2H46 F85 L88 V89 L92 F104 T106 A107H46-I109 WeakPolarHBondContact CE1-CG2 3.33Å; H46-I109 WeakPolarHBondContact NE2-CG2 3.47Å; F85-I109 HydrophobicContact CD2-CG2 3.84Å; F85-I109 HydrophobicContact CE2-CB 3.95Å; F85-I109 HydrophobicContact CE2-CD1 4.33Å; F85-I109 HydrophobicContact CE2-CG2 3.66Å; L88-I109 HydrophobicContact CD2-CD1 4.12Å; L88-I109 HydrophobicContact CG-CD1 4.16Å; V89-I109 HydrophobicContact CG2-CD1 3.59Å; L92-I109 HydrophobicContact CD1-CD1 3.84Å; L92-I109 HydrophobicContact CD1-CG1 4.39Å; F104-I109 HydrophobicContact CE2-CG1 3.99Å; F104-I109 HydrophobicContact CZ-CD1 3.85Å; F104-I109 HydrophobicContact CZ-CG1 3.78Å; T106-I109 PolarHBondContact O-N 3.45Å; T106-I109 VanDerWaalsContact O-N 3.14Å; A107-I109 PolarHBondContact O-N 3.28Å
110L92.5Very high94.5Very high95 Ų9562.3 Ų62.350%0.49731%0.313SS..Hα-helixtrans-75.1-37.3-173.1-65.3175000113.1F85 T106F85-L110 HydrophobicContact CD2-CD2 3.91Å; F85-L110 HydrophobicContact CE2-CD1 4.16Å; F85-L110 HydrophobicContact CE2-CD2 3.41Å; F85-L110 VanDerWaalsContact CE2-CD2 3.41Å; F85-L110 HydrophobicContact CE2-CG 3.55Å; F85-L110 HydrophobicContact CZ-CD1 3.81Å; F85-L110 HydrophobicContact CZ-CD2 3.86Å; F85-L110 HydrophobicContact CZ-CG 3.73Å; T106-L110 PolarHBondContact O-N 3.03Å
111C94.7Very high94.7Very high92 Ų9254 Ų5462%0.62228%0.282SS*.SBendtrans-137.763.4-175.2-69.50000110.5A107 K113A107-C111 CarbonylContact O-C 3.16Å; A107-C111 WeakPolarHBondContact O-CA 3.19Å; A107-C111 PolarHBondContact O-N 2.87Å; C111-K113 PolarHBondContact O-N 3.28Å
112P95.3Very high94.8Very high17 Ų1753.9 Ų53.911%0.1128%0.281CS..  trans-64.6133.7-170.628.1-37.2000112.6P40 P42 L45 D108P40-P112 HydrophobicContact CB-CB 3.93Å; P40-P112 HydrophobicContact CB-CG 3.87Å; P40-P112 HydrophobicContact CG-CB 4.17Å; P40-P112 HydrophobicContact CG-CG 4.43Å; P40-P112 WeakPolarHBondContact O-CG 3.29Å; P42-P112 HydrophobicContact CG-CG 4.19Å; L45-P112 HydrophobicContact CD1-CB 3.36Å; L45-P112 HydrophobicContact CD1-CG 3.76Å; D108-P112 WeakPolarHBondContact O-CB 3.38Å
113K96.1Very high94.9Very high144 Ų14447.6 Ų47.663%0.62625%0.248SC*.  trans-100.6125.5174.4-64.8177.9-178.2171.10110.2C111 K115 R116 T117C111-K113 PolarHBondContact O-N 3.28Å; K113-K115 VanDerWaalsContact C-N 3.31Å; K113-K115 PolarHBondContact O-N 2.93Å; K113-R116 HydrophobicContact CB-CB 4.47Å; K113-R116 PolarHBondContact O-N 3.23Å; K113-T117 PolarHBondContact O-N 3.34Å; K113-T117 PolarHBondContact O-OG1 2.97Å
114A94.6Very high95Very high19 Ų1944.6 Ų44.616%0.15723%0.231CC..Hα-helixtrans-45.6-46-174.700000115.6Y37 P38 P40 R116 S118Y37-A114 HydrophobicContact CD2-CB 3.81Å; Y37-A114 HydrophobicContact CE2-CB 4.28Å; P38-A114 VanDerWaalsContact O-CB 3.31Å; P38-A114 WeakPolarHBondContact O-CB 3.49Å; P40-A114 HydrophobicContact CG-CB 4.16Å; A114-R116 PolarHBondContact O-N 2.94Å; A114-S118 WeakPolarHBondContact O-CB 3.29Å; A114-S118 PolarHBondContact O-N 3.41Å
115K94Very high95.1Very high182 Ų18243.6 Ų43.679%0.79123%0.227SC*.Hα-helixtrans-64.5-39.1179.7-170.7178.5179.2-177.30112.7K113 R119K113-K115 VanDerWaalsContact C-N 3.31Å; K113-K115 PolarHBondContact O-N 2.93Å; K115-R119 PolarHBondContact O-N 3.36Å
116R94.7Very high95.1Very high56 Ų5640.6 Ų40.621%0.21122%0.215CC..Hα-helixtrans-73-47178.4-69.4177.161.682.5-3.8110.5D103 D108 K113 A114 S118 R119 F120D103-R116 PolarHBondContact O-NH2 2.94Å; D103-R116 IonicContact OD2-NH1 2.73Å; D103-R116 PolarHBondContact OD2-NH1 3.43Å; D108-R116 IonicContact OD1-CZ 2.6Å; D108-R116 IonicContact OD1-NE 3.02Å; D108-R116 PolarHBondContact OD1-NE 2.91Å; D108-R116 IonicContact OD1-NH2 2.94Å; D108-R116 PolarHBondContact OD1-NH2 2.87Å; D108-R116 IonicContact OD2-CZ 2.8Å; D108-R116 IonicContact OD2-NE 3.54Å; D108-R116 IonicContact OD2-NH2 3.96Å; D108-R116 PolarHBondContact OD2-NH2 3.46Å; K113-R116 HydrophobicContact CB-CB 4.47Å; K113-R116 PolarHBondContact O-N 3.23Å; A114-R116 PolarHBondContact O-N 2.94Å; R116-S118 VanDerWaalsContact C-N 3.34Å; R116-S118 PolarHBondContact O-N 2.92Å; R116-R119 WeakPolarHBondContact O-CB 3.42Å; R116-R119 PolarHBondContact O-N 3.2Å; R116-R119 VanDerWaalsContact O-N 3.09Å; R116-F120 HydrophobicContact CB-CE2 4.19Å; R116-F120 HydrophobicContact CB-CZ 4.34Å; R116-F120 VanDerWaalsContact O-CG 3.25Å; R116-F120 WeakPolarHBondContact O-CG 3.41Å; R116-F120 PolarHBondContact O-N 2.9Å
117T95.5Very high95.2Very high1 Ų138.5 Ų38.51%0.00620%0.2CC..Hα-helixtrans-54.3-48.2174.5-56.40000111.9P40 L45 K113 R119 F120 L121P40-T117 HydrophobicContact CB-CG2 4.25Å; P40-T117 HydrophobicContact CG-CG2 4.34Å; L45-T117 HydrophobicContact CD1-CG2 3.71Å; L45-T117 HydrophobicContact CD2-CG2 3.49Å; L45-T117 VanDerWaalsContact CD2-CG2 3.49Å; L45-T117 HydrophobicContact CG-CG2 4.25Å; K113-T117 PolarHBondContact O-N 3.34Å; K113-T117 PolarHBondContact O-OG1 2.97Å; T117-R119 VanDerWaalsContact C-N 3.31Å; T117-R119 PolarHBondContact O-N 3.41Å; T117-F120 PolarHBondContact O-N 3.27Å; T117-L121 HydrophobicContact CG2-CD1 3.75Å; T117-L121 HydrophobicContact CG2-CG 4.28Å; T117-L121 WeakPolarHBondContact O-CB 3.23Å; T117-L121 VanDerWaalsContact O-CG 3.29Å; T117-L121 WeakPolarHBondContact O-CG 3.41Å; T117-L121 PolarHBondContact O-N 2.95Å
118S95.7Very high95.2Very high29 Ų2936.9 Ų36.920%0.20319%0.185CC..Hα-helixtrans-60.3-39.5177.6166.80000112.5Y9 I14 A114 R116 S122Y9-S118 PolarHBondContact O-OG 3.47Å; I14-S118 WeakPolarHBondContact CD1-O 3.42Å; I14-S118 WeakPolarHBondContact CD1-OG 3.43Å; A114-S118 WeakPolarHBondContact O-CB 3.29Å; A114-S118 PolarHBondContact O-N 3.41Å; R116-S118 VanDerWaalsContact C-N 3.34Å; R116-S118 PolarHBondContact O-N 2.92Å; S118-S122 WeakPolarHBondContact O-CB 3.49Å; S118-S122 PolarHBondContact O-N 2.9Å; S118-S122 PolarHBondContact O-OG 2.81Å
119R95.2Very high95.1Very high37 Ų3739.4 Ų39.414%0.1420%0.196CC..Hα-helixtrans-62.6-48.5173.7177.1174.764.6170.40.9111.9F6 R8 D103 K115 R116 T117 S122 G123F6-R119 HydrophobicContact CE2-CG 4.32Å; F6-R119 WeakPolarHBondContact CE2-O 3.41Å; F6-R119 HydrophobicContact CZ-CG 4.16Å; R8-R119 VanDerWaalsContact NH1-CB 3.28Å; R8-R119 VanDerWaalsContact NH1-CD 3.33Å; D103-R119 IonicContact OD1-CZ 2.72Å; D103-R119 VanDerWaalsContact OD1-CZ 3.27Å; D103-R119 IonicContact OD1-NH1 2.95Å; D103-R119 PolarHBondContact OD1-NH1 3.26Å; D103-R119 IonicContact OD1-NH2 2.85Å; D103-R119 PolarHBondContact OD1-NH2 3.09Å; D103-R119 IonicContact OD2-CZ 2.87Å; D103-R119 IonicContact OD2-NH1 2.74Å; D103-R119 PolarHBondContact OD2-NH1 3.45Å; D103-R119 IonicContact OD2-NH2 3.38Å; D103-R119 PolarHBondContact OD2-NH2 2.87Å; K115-R119 PolarHBondContact O-N 3.36Å; R116-R119 WeakPolarHBondContact O-CB 3.42Å; R116-R119 PolarHBondContact O-N 3.2Å; R116-R119 VanDerWaalsContact O-N 3.09Å; T117-R119 VanDerWaalsContact C-N 3.31Å; T117-R119 PolarHBondContact O-N 3.41Å; R119-S122 WeakPolarHBondContact O-CB 3.27Å; R119-S122 PolarHBondContact O-N 3.41Å; R119-G123 PolarHBondContact O-N 3.01Å
120F95.9Very high95.1Very high0 Ų045.4 Ų45.40%022%0.222CC..Hα-helixtrans-66.4-45.3-175.7-59.9-21.2000111.8V101 F104 D108 R116 T117 S122 G123 I124V101-F120 HydrophobicContact CB-CD1 4.33Å; V101-F120 HydrophobicContact CG1-CD1 3.28Å; V101-F120 HydrophobicContact CG1-CE1 3.3Å; V101-F120 HydrophobicContact CG1-CG 4.16Å; V101-F120 HydrophobicContact CG1-CZ 4.2Å; V101-F120 HydrophobicContact CG2-CD1 4.06Å; F104-F120 HydrophobicContact CD2-CD2 4.45Å; F104-F120 HydrophobicContact CD2-CE2 4.13Å; D108-F120 HydrophobicContact CB-CD2 4.47Å; D108-F120 HydrophobicContact CB-CE2 3.8Å; D108-F120 VanDerWaalsContact CG-CE2 3.49Å; D108-F120 WeakPolarHBondContact OD2-CE2 3.27Å; R116-F120 HydrophobicContact CB-CE2 4.19Å; R116-F120 HydrophobicContact CB-CZ 4.34Å; R116-F120 VanDerWaalsContact O-CG 3.25Å; R116-F120 WeakPolarHBondContact O-CG 3.41Å; R116-F120 PolarHBondContact O-N 2.9Å; T117-F120 PolarHBondContact O-N 3.27Å; F120-S122 VanDerWaalsContact C-N 3.26Å; F120-S122 PolarHBondContact O-N 3.37Å; F120-G123 PolarHBondContact O-N 2.74Å; F120-G123 VanDerWaalsContact O-N 3.14Å; F120-I124 WeakPolarHBondContact O-CG1 3.38Å; F120-I124 PolarHBondContact O-N 3.38Å
121L96.8Very high95.1Very high2 Ų244.8 Ų44.81%0.0121%0.213CC..Hα-helixtrans-60.1-38.8173.7-66.1175000111.1I14 I18 L36 L45 I48 Y49 T117 G123 I124 I125I14-L121 HydrophobicContact CD1-CB 4.37Å; I14-L121 HydrophobicContact CG2-CB 3.96Å; I14-L121 HydrophobicContact CG2-CD1 3.73Å; I14-L121 HydrophobicContact CG2-CG 4.47Å; I18-L121 HydrophobicContact CD1-CD1 4.05Å; I18-L121 HydrophobicContact CD1-CD2 4.29Å; L36-L121 HydrophobicContact CD1-CD1 4.17Å; L36-L121 HydrophobicContact CD2-CD1 4.09Å; L45-L121 HydrophobicContact CD2-CD1 4.26Å; I48-L121 HydrophobicContact CG2-CD2 3.64Å; Y49-L121 HydrophobicContact CE1-CD2 4.02Å; T117-L121 HydrophobicContact CG2-CD1 3.75Å; T117-L121 HydrophobicContact CG2-CG 4.28Å; T117-L121 WeakPolarHBondContact O-CB 3.23Å; T117-L121 VanDerWaalsContact O-CG 3.29Å; T117-L121 WeakPolarHBondContact O-CG 3.41Å; T117-L121 PolarHBondContact O-N 2.95Å; L121-G123 PolarHBondContact O-N 3.02Å; L121-I124 PolarHBondContact O-N 3.19Å; L121-I125 VanDerWaalsContact O-CB 3.26Å; L121-I125 WeakPolarHBondContact O-CB 3.43Å; L121-I125 VanDerWaalsContact O-CD1 3.29Å; L121-I125 WeakPolarHBondContact O-CD1 3.42Å; L121-I125 WeakPolarHBondContact O-CG1 3.42Å; L121-I125 PolarHBondContact O-N 3.42Å
122S96.6Very high94.9Very high0 Ų045 Ų450%021%0.205CC..Hα-helixtrans-62.1-42.3174.9-60.30000112.9P7 Y9 S118 R119 F120 N126P7-S122 WeakPolarHBondContact O-CB 3.44Å; Y9-S122 PolarHBondContact N-OG 3.12Å; Y9-S122 VanDerWaalsContact N-OG 3.08Å; S118-S122 WeakPolarHBondContact O-CB 3.49Å; S118-S122 PolarHBondContact O-N 2.9Å; S118-S122 PolarHBondContact O-OG 2.81Å; R119-S122 WeakPolarHBondContact O-CB 3.27Å; R119-S122 PolarHBondContact O-N 3.41Å; F120-S122 VanDerWaalsContact C-N 3.26Å; F120-S122 PolarHBondContact O-N 3.37Å; S122-N126 WeakPolarHBondContact O-CB 3.36Å; S122-N126 PolarHBondContact O-N 3.01Å
123G95.6Very high94.7Very high0 Ų047.6 Ų47.60%023%0.229CC..Hα-helixtrans-63.7-46.3176.300000112.4R119 F120 L121 N126 F127R119-G123 PolarHBondContact O-N 3.01Å; F120-G123 PolarHBondContact O-N 2.74Å; F120-G123 VanDerWaalsContact O-N 3.14Å; L121-G123 PolarHBondContact O-N 3.02Å; G123-N126 PolarHBondContact O-N 2.95Å; G123-F127 PolarHBondContact O-N 3.34Å
124I96.8Very high94.5Very high0 Ų043.2 Ų43.20%022%0.216CC..Hα-helixtrans-60.7-48.3176.4-66.4168.5000110.7I22 Y49 A52 F95 L96 F120 L121 N126 F127 I128I22-I124 HydrophobicContact CD1-CG2 4.42Å; Y49-I124 HydrophobicContact CD1-CD1 3.66Å; Y49-I124 HydrophobicContact CE1-CD1 3.53Å; A52-I124 HydrophobicContact CB-CG2 3.95Å; F95-I124 HydrophobicContact CE1-CD1 4.48Å; F95-I124 HydrophobicContact CE1-CG1 3.99Å; F95-I124 HydrophobicContact CE1-CG2 4.16Å; F95-I124 HydrophobicContact CZ-CG2 4.36Å; L96-I124 HydrophobicContact CD2-CD1 3.93Å; L96-I124 HydrophobicContact CD2-CG1 3.86Å; F120-I124 WeakPolarHBondContact O-CG1 3.38Å; F120-I124 PolarHBondContact O-N 3.38Å; L121-I124 PolarHBondContact O-N 3.19Å; I124-N126 VanDerWaalsContact C-N 3.33Å; I124-N126 PolarHBondContact O-N 3.03Å; I124-F127 PolarHBondContact O-N 3.08Å; I124-I128 HydrophobicContact CG2-CD1 3.8Å; I124-I128 HydrophobicContact CG2-CG1 4.42Å; I124-I128 WeakPolarHBondContact O-CG1 3.44Å; I124-I128 PolarHBondContact O-N 3Å
125I96.4Very high94.2Very high3 Ų349.2 Ų49.22%0.01523%0.234CC..Hα-helixtrans-59.2-46.1178.7-72162.9000110Y9 I14 H17 I18 I22 L121 F127 I128 H129Y9-I125 HydrophobicContact CD2-CG2 4.3Å; Y9-I125 HydrophobicContact CE2-CB 4.29Å; Y9-I125 HydrophobicContact CE2-CG2 3.79Å; I14-I125 HydrophobicContact CB-CD1 4.45Å; I14-I125 HydrophobicContact CG1-CD1 4.32Å; I14-I125 HydrophobicContact CG2-CD1 4.21Å; H17-I125 HydrophobicContact CB-CD1 3.76Å; H17-I125 HydrophobicContact CB-CG1 4.12Å; H17-I125 HydrophobicContact CB-CG2 3.86Å; I18-I125 HydrophobicContact CG1-CD1 4.36Å; I22-I125 HydrophobicContact CD1-CG1 4.38Å; L121-I125 VanDerWaalsContact O-CB 3.26Å; L121-I125 WeakPolarHBondContact O-CB 3.43Å; L121-I125 VanDerWaalsContact O-CD1 3.29Å; L121-I125 WeakPolarHBondContact O-CD1 3.42Å; L121-I125 WeakPolarHBondContact O-CG1 3.42Å; L121-I125 PolarHBondContact O-N 3.42Å; I125-F127 PolarHBondContact O-N 2.99Å; I125-I128 PolarHBondContact O-N 3.46Å; I125-H129 WeakPolarHBondContact CG2-CE1 3.25Å; I125-H129 WeakPolarHBondContact CG2-ND1 3.33Å; I125-H129 PolarHBondContact O-N 3.01Å; I125-H129 PolarHBondContact O-ND1 3.27Å
126N95.4Very high93.9Very high52 Ų5248.2 Ų48.228%0.27823%0.232SC..Hα-helixtrans-60.8-43.9177.8-178.773.6000111.9F6 P7 S122 G123 I124 H129 F130F6-N126 HydrophobicContact CB-CB 3.92Å; P7-N126 WeakPolarHBondContact CD-OD1 3.36Å; S122-N126 WeakPolarHBondContact O-CB 3.36Å; S122-N126 PolarHBondContact O-N 3.01Å; G123-N126 PolarHBondContact O-N 2.95Å; I124-N126 VanDerWaalsContact C-N 3.33Å; I124-N126 PolarHBondContact O-N 3.03Å; N126-H129 PolarHBondContact O-N 3.29Å; N126-F130 WeakPolarHBondContact O-CB 3.45Å; N126-F130 PolarHBondContact O-N 2.96Å
127F95.4Very high93.7Very high31 Ų3149 Ų4914%0.13624%0.243CC..Hα-helixtrans-63.3-42.8176.5177-97.3000112.4V56 F95 I98 C99 G123 I124 I125 H129 F130 R131V56-F127 HydrophobicContact CG1-CE1 3.78Å; V56-F127 HydrophobicContact CG1-CZ 4.46Å; V56-F127 HydrophobicContact CG2-CD1 4.28Å; V56-F127 HydrophobicContact CG2-CE1 3.95Å; F95-F127 AromaticContact CE2-CD1 3.59Å; F95-F127 HydrophobicContact CE2-CD1 3.59Å; F95-F127 AromaticContact CE2-CE1 3.65Å; F95-F127 HydrophobicContact CE2-CE1 3.65Å; F95-F127 HydrophobicContact CE2-CG 4.43Å; F95-F127 AromaticContact CZ-CD1 3.89Å; F95-F127 HydrophobicContact CZ-CD1 3.89Å; F95-F127 HydrophobicContact CZ-CE1 4.33Å; I98-F127 HydrophobicContact CG2-CD2 4Å; I98-F127 HydrophobicContact CG2-CE2 3.44Å; I98-F127 VanDerWaalsContact CG2-CE2 3.44Å; I98-F127 HydrophobicContact CG2-CZ 3.92Å; C99-F127 HydrophobicContact CB-CB 4.3Å; G123-F127 PolarHBondContact O-N 3.34Å; I124-F127 PolarHBondContact O-N 3.08Å; I125-F127 PolarHBondContact O-N 2.99Å; F127-H129 VanDerWaalsContact C-N 3.33Å; F127-H129 PolarHBondContact O-N 2.99Å; F127-F130 PolarHBondContact O-N 3.22Å; F127-R131 HydrophobicContact CE1-CB 4.33Å; F127-R131 HydrophobicContact CZ-CB 4.45Å; F127-R131 WeakPolarHBondContact O-CB 3.4Å; F127-R131 PolarHBondContact O-N 3.43Å
128I94.7Very high93.6Very high9 Ų955.8 Ų55.85%0.04627%0.27CS..Hα-helixtrans-61-43.9177.3-70.7171.6000110.5I22 A52 V56 I124 I125 R131 E132I22-I128 HydrophobicContact CD1-CD1 3.87Å; I22-I128 HydrophobicContact CG1-CD1 3.81Å; A52-I128 HydrophobicContact CB-CD1 4.48Å; V56-I128 HydrophobicContact CG2-CG1 4.34Å; I124-I128 HydrophobicContact CG2-CD1 3.8Å; I124-I128 HydrophobicContact CG2-CG1 4.42Å; I124-I128 WeakPolarHBondContact O-CG1 3.44Å; I124-I128 PolarHBondContact O-N 3Å; I125-I128 PolarHBondContact O-N 3.46Å; I128-R131 PolarHBondContact O-N 3.02Å; I128-E132 WeakPolarHBondContact O-CB 3.41Å; I128-E132 PolarHBondContact O-N 2.91Å
129H92.7Very high93.6Very high58 Ų5858 Ų5827%0.26928%0.278SS..Hα-helixtrans-62.1-44.8175.1-73.6102.2000112.1H17 I125 N126 F127 E132 A133H17-H129 AromaticContact CE1-CE1 3.72Å; H17-H129 AromaticContact CE1-NE2 3.93Å; H17-H129 AromaticContact ND1-CE1 3.4Å; H17-H129 PolarHBondContact ND1-CE1 3.45Å; H17-H129 AromaticContact ND1-NE2 3.69Å; I125-H129 WeakPolarHBondContact CG2-CE1 3.25Å; I125-H129 WeakPolarHBondContact CG2-ND1 3.33Å; I125-H129 PolarHBondContact O-N 3.01Å; I125-H129 PolarHBondContact O-ND1 3.27Å; N126-H129 PolarHBondContact O-N 3.29Å; F127-H129 VanDerWaalsContact C-N 3.33Å; F127-H129 PolarHBondContact O-N 2.99Å; H129-E132 PolarHBondContact O-N 3.33Å; H129-A133 WeakPolarHBondContact O-CB 3.36Å; H129-A133 PolarHBondContact O-N 3.39Å
130F92.5Very high93.5Very high126 Ų12660.7 Ų60.755%0.55329%0.292SS*.Hα-helixtrans-59.4-48.8176.4171.7-103.2000111.5N126 F127 E132 A133 C134N126-F130 WeakPolarHBondContact O-CB 3.45Å; N126-F130 PolarHBondContact O-N 2.96Å; F127-F130 PolarHBondContact O-N 3.22Å; F130-E132 VanDerWaalsContact C-N 3.35Å; F130-E132 PolarHBondContact O-N 2.92Å; F130-A133 PolarHBondContact O-N 2.99Å; F130-C134 WeakPolarHBondContact CE2-SG 3.32Å; F130-C134 WeakPolarHBondContact O-CB 3.49Å; F130-C134 PolarHBondContact O-N 3.41Å; F130-C134 PolarHBondContact O-SG 3.05Å
131R92.5Very high93.5Very high82 Ų8267 Ų6731%0.30932%0.32SS..Hα-helixtrans-60-44.7177.5178.3176.6171.9-112.112.5111.4I55 V56 F127 I128 C134 R135I55-R131 VanDerWaalsContact O-CZ 3.23Å; I55-R131 PolarHBondContact O-NH1 3.48Å; I55-R131 PolarHBondContact O-NH2 3.48Å; V56-R131 PolarHBondContact O-NH2 3.47Å; F127-R131 HydrophobicContact CE1-CB 4.33Å; F127-R131 HydrophobicContact CZ-CB 4.45Å; F127-R131 WeakPolarHBondContact O-CB 3.4Å; F127-R131 PolarHBondContact O-N 3.43Å; I128-R131 PolarHBondContact O-N 3.02Å; R131-C134 PolarHBondContact O-N 3.05Å; R131-R135 WeakPolarHBondContact O-CB 3.46Å; R131-R135 PolarHBondContact O-N 2.67Å
132E90.9Very high93.4Very high96 Ų9670.5 Ų70.545%0.44934%0.338SS..Hα-helixtrans-63.9-42.4179-167.1175.2-175.800111.5K21 I128 H129 F130 R135K21-E132 IonicContact NZ-OE1 2.71Å; K21-E132 PolarHBondContact NZ-OE1 3.11Å; K21-E132 IonicContact NZ-OE2 3.68Å; K21-E132 PolarHBondContact NZ-OE2 2.95Å; I128-E132 WeakPolarHBondContact O-CB 3.41Å; I128-E132 PolarHBondContact O-N 2.91Å; H129-E132 PolarHBondContact O-N 3.33Å; F130-E132 VanDerWaalsContact C-N 3.35Å; F130-E132 PolarHBondContact O-N 2.92Å; E132-R135 PolarHBondContact O-N 3.14Å
133A90Very high93.4Very high73 Ų7378.8 Ų78.860%0.60337%0.37SS*.Hα-helixtrans-65-40.4176.200000112.8H129 F130H129-A133 WeakPolarHBondContact O-CB 3.36Å; H129-A133 PolarHBondContact O-N 3.39Å; F130-A133 PolarHBondContact O-N 2.99Å
134C91.9Very high93.4Very high52 Ų5283.8 Ų83.835%0.35139%0.393SS..Hα-helixtrans-78.3-23.7178.2-69.30000113.5F130 R131 E136 T137 Y138F130-C134 WeakPolarHBondContact CE2-SG 3.32Å; F130-C134 WeakPolarHBondContact O-CB 3.49Å; F130-C134 PolarHBondContact O-N 3.41Å; F130-C134 PolarHBondContact O-SG 3.05Å; R131-C134 PolarHBondContact O-N 3.05Å; C134-E136 VanDerWaalsContact C-N 3.33Å; C134-E136 PolarHBondContact O-N 3.42Å; C134-T137 PolarHBondContact O-N 3.01Å; C134-Y138 WeakPolarHBondContact O-CB 3.32Å; C134-Y138 PolarHBondContact O-N 3.32Å
135R90.2Very high93.4Very high145 Ų14592 Ų9255%0.54743%0.425SS..Hα-helixtrans-60.9-39.5-174174.5178.7144.1178.3-5.6112.4R131 E132 Y138 M139R131-R135 WeakPolarHBondContact O-CB 3.46Å; R131-R135 PolarHBondContact O-N 2.67Å; E132-R135 PolarHBondContact O-N 3.14Å; R135-Y138 PolarHBondContact O-N 3.42Å; R135-M139 HydrophobicContact CG-CE 4.47Å; R135-M139 HydrophobicContact CG-CG 4.13Å; R135-M139 WeakPolarHBondContact O-CB 3.46Å; R135-M139 WeakPolarHBondContact O-CG 3.25Å; R135-M139 PolarHBondContact O-N 3.12Å
136E87Confident93.4Very high160 Ų16097.5 Ų97.575%0.74845%0.449SS*.Hα-helixtrans-59.3-50.9178.4-174.1176.3-173.900110.7C134 M139 E140C134-E136 VanDerWaalsContact C-N 3.33Å; C134-E136 PolarHBondContact O-N 3.42Å; E136-M139 PolarHBondContact O-N 2.98Å; E136-E140 PolarHBondContact O-N 2.92Å
137T90.3Very high93.5Very high73 Ų7398.8 Ų98.845%0.44846%0.462SS..Hα-helixtrans-63.5-44.8177.9-51.80000112.2C134 M139 E140 F141C134-T137 PolarHBondContact O-N 3.01Å; T137-M139 VanDerWaalsContact C-N 3.34Å; T137-M139 PolarHBondContact O-N 3.48Å; T137-E140 PolarHBondContact O-N 3.22Å; T137-F141 HydrophobicContact CG2-CD2 3.96Å; T137-F141 HydrophobicContact CG2-CE2 3.62Å; T137-F141 WeakPolarHBondContact O-CD2 3.42Å; T137-F141 PolarHBondContact O-N 3.23Å; T137-F141 VanDerWaalsContact O-N 3.14Å
138Y93.5Very high93.5Very high144 Ų144100.7 Ų100.757%0.56548%0.479SS*.Hα-helixtrans-60.4-43.2177173.4-97.8000112C134 R135 F141 L142C134-Y138 WeakPolarHBondContact O-CB 3.32Å; C134-Y138 PolarHBondContact O-N 3.32Å; R135-Y138 PolarHBondContact O-N 3.42Å; Y138-F141 PolarHBondContact O-N 3.4Å; Y138-L142 HydrophobicContact CE1-CD2 4.14Å; Y138-L142 WeakPolarHBondContact O-CB 3.45Å; Y138-L142 PolarHBondContact O-N 3.5Å
139M94.7Very high93.7Very high75 Ų75102 Ų10237%0.36949%0.492SS..Hα-helixtrans-63.8-42.6177.9-73.3-66.7-178.100111.2R135 E136 T137 F141 L142 W143R135-M139 HydrophobicContact CG-CE 4.47Å; R135-M139 HydrophobicContact CG-CG 4.13Å; R135-M139 WeakPolarHBondContact O-CB 3.46Å; R135-M139 WeakPolarHBondContact O-CG 3.25Å; R135-M139 PolarHBondContact O-N 3.12Å; E136-M139 PolarHBondContact O-N 2.98Å; T137-M139 VanDerWaalsContact C-N 3.34Å; T137-M139 PolarHBondContact O-N 3.48Å; M139-F141 VanDerWaalsContact C-N 3.31Å; M139-F141 PolarHBondContact O-N 3Å; M139-L142 PolarHBondContact O-N 3.29Å; M139-L142 HydrophobicContact SD-CD2 4.2Å; M139-W143 PolarHBondContact O-N 2.93Å
140E93.7Very high93.9Very high94 Ų94102.8 Ų102.844%0.43950%0.497SS..Hα-helixtrans-55.8-46.4174.9-172.5176.1-173.300111.4E136 T137 W143 Q144 K351E136-E140 PolarHBondContact O-N 2.92Å; T137-E140 PolarHBondContact O-N 3.22Å; E140-W143 PolarHBondContact O-N 3.46Å; E140-Q144 WeakPolarHBondContact O-CG 3.31Å; E140-Q144 PolarHBondContact O-N 2.89Å; E140-K351 IonicContact OE1-NZ 2.67Å
141F95.3Very high94.1Very high133 Ų133103.1 Ų103.158%0.58350%0.499SS*.Hα-helixtrans-64.5-42.7176-76.8-60.8000113.3T137 Y138 M139 W143 Q144 Y145T137-F141 HydrophobicContact CG2-CD2 3.96Å; T137-F141 HydrophobicContact CG2-CE2 3.62Å; T137-F141 WeakPolarHBondContact O-CD2 3.42Å; T137-F141 PolarHBondContact O-N 3.23Å; T137-F141 VanDerWaalsContact O-N 3.14Å; Y138-F141 PolarHBondContact O-N 3.4Å; M139-F141 VanDerWaalsContact C-N 3.31Å; M139-F141 PolarHBondContact O-N 3Å; F141-W143 VanDerWaalsContact C-N 3.32Å; F141-W143 PolarHBondContact O-N 3.4Å; F141-Q144 PolarHBondContact O-N 2.93Å; F141-Y145 WeakPolarHBondContact O-CB 3.37Å; F141-Y145 PolarHBondContact O-N 3.22Å
142L95.8Very high94.3Very high75 Ų75104.6 Ų104.639%0.39351%0.511SS..Hα-helixtrans-61.2-42.4178.3-177.565.5000111.6Y138 M139 Y145 K146Y138-L142 HydrophobicContact CE1-CD2 4.14Å; Y138-L142 WeakPolarHBondContact O-CB 3.45Å; Y138-L142 PolarHBondContact O-N 3.5Å; M139-L142 PolarHBondContact O-N 3.29Å; M139-L142 HydrophobicContact SD-CD2 4.2Å; L142-Y145 PolarHBondContact O-N 3.49Å; L142-K146 WeakPolarHBondContact O-CB 3.39Å; L142-K146 PolarHBondContact O-N 2.87Å
143W95.9Very high94.6Very high174 Ų174106.8 Ų106.866%0.65952%0.521SS*.Hα-helixtrans-67.1-41.6177.3-83.7100.3000112.4M139 E140 F141 K146 S147M139-W143 PolarHBondContact O-N 2.93Å; E140-W143 PolarHBondContact O-N 3.46Å; F141-W143 VanDerWaalsContact C-N 3.32Å; F141-W143 PolarHBondContact O-N 3.4Å; W143-K146 PolarHBondContact O-N 3.48Å; W143-S147 WeakPolarHBondContact O-CB 3.31Å; W143-S147 PolarHBondContact O-N 3.25Å
144Q96.8Very high95Very high105 Ų105109.8 Ų109.849%0.49152%0.522SS..Hα-helixtrans-62-45.2174.4-73.517715.900111.6E140 F141 S147 S148E140-Q144 WeakPolarHBondContact O-CG 3.31Å; E140-Q144 PolarHBondContact O-N 2.89Å; F141-Q144 PolarHBondContact O-N 2.93Å; Q144-S147 PolarHBondContact O-N 3Å; Q144-S148 WeakPolarHBondContact O-CB 3.49Å; Q144-S148 PolarHBondContact O-N 3.08Å
145Y95.4Very high95.2Very high172 Ų172112.3 Ų112.368%0.67553%0.532SS*.Hα-helixtrans-59.3-49.6176.2174.8-98.5000111.4F141 L142 S147 S148 A149F141-Y145 WeakPolarHBondContact O-CB 3.37Å; F141-Y145 PolarHBondContact O-N 3.22Å; L142-Y145 PolarHBondContact O-N 3.49Å; Y145-S147 PolarHBondContact O-N 3.33Å; Y145-S148 PolarHBondContact O-N 3.47Å; Y145-S148 VanDerWaalsContact O-N 3.17Å; Y145-A149 WeakPolarHBondContact O-CB 3.48Å; Y145-A149 PolarHBondContact O-N 2.95Å
146K97.2Very high95.6Very high118 Ų118109.6 Ų109.651%0.51353%0.528SS..Hα-helixtrans-58.8-47.4178.6-174.1174.7179.8177.40111.7L142 W143 S148 A149 D150L142-K146 WeakPolarHBondContact O-CB 3.39Å; L142-K146 PolarHBondContact O-N 2.87Å; W143-K146 PolarHBondContact O-N 3.48Å; K146-S148 VanDerWaalsContact C-N 3.29Å; K146-S148 PolarHBondContact O-N 3.36Å; K146-A149 PolarHBondContact O-N 3.43Å; K146-D150 VanDerWaalsContact O-CG 3.27Å; K146-D150 PolarHBondContact O-N 2.94Å
147S97.3Very high96Very high80 Ų80104.6 Ų104.656%0.55951%0.514SS*.Hα-helixtrans-61.6-37.1177.3-179.90000112.7W143 Q144 Y145 K151W143-S147 WeakPolarHBondContact O-CB 3.31Å; W143-S147 PolarHBondContact O-N 3.25Å; Q144-S147 PolarHBondContact O-N 3Å; Y145-S147 PolarHBondContact O-N 3.33Å; S147-K151 WeakPolarHBondContact O-CB 3.46Å; S147-K151 PolarHBondContact O-N 2.84Å; S147-K151 VanDerWaalsContact O-N 3.09Å
148S96.2Very high96.3Very high71 Ų71103.6 Ų103.650%0.49751%0.513SS..Hα-helixtrans-69.9-40.4176.1-169.60000112.1Q144 Y145 K146 K151 M152Q144-S148 WeakPolarHBondContact O-CB 3.49Å; Q144-S148 PolarHBondContact O-N 3.08Å; Y145-S148 PolarHBondContact O-N 3.47Å; Y145-S148 VanDerWaalsContact O-N 3.17Å; K146-S148 VanDerWaalsContact C-N 3.29Å; K146-S148 PolarHBondContact O-N 3.36Å; S148-K151 PolarHBondContact O-N 3.49Å; S148-M152 WeakPolarHBondContact O-CB 3.26Å; S148-M152 PolarHBondContact O-N 3.38Å
149A97.5Very high96.4Very high37 Ų37102.2 Ų102.231%0.30651%0.512SS..Hα-helixtrans-63.6-45.2176.400000111.2Y145 K146 K151 M152 Q153Y145-A149 WeakPolarHBondContact O-CB 3.48Å; Y145-A149 PolarHBondContact O-N 2.95Å; K146-A149 PolarHBondContact O-N 3.43Å; A149-K151 VanDerWaalsContact C-N 3.34Å; A149-K151 PolarHBondContact O-N 2.83Å; A149-M152 WeakPolarHBondContact O-CB 3.35Å; A149-M152 PolarHBondContact O-N 3.12Å; A149-Q153 PolarHBondContact O-N 2.88Å
150D97.1Very high96.5Very high73 Ų73104.5 Ų104.539%0.3952%0.522SS..Hα-helixtrans-60.6-43.4176.2-67.3-18.5000111.1K146 Q153 Q154K146-D150 VanDerWaalsContact O-CG 3.27Å; K146-D150 PolarHBondContact O-N 2.94Å; D150-Q153 PolarHBondContact O-N 3.17Å; D150-Q154 WeakPolarHBondContact O-CG 3.35Å; D150-Q154 PolarHBondContact O-N 3Å
151K97.1Very high96.7Very high133 Ų133105 Ų10558%0.57852%0.524SS*.Hα-helixtrans-65.1-39.8176.8-172.2176-178.2-1750112.4S147 S148 A149 Q153 Q154 L155S147-K151 WeakPolarHBondContact O-CB 3.46Å; S147-K151 PolarHBondContact O-N 2.84Å; S147-K151 VanDerWaalsContact O-N 3.09Å; S148-K151 PolarHBondContact O-N 3.49Å; A149-K151 VanDerWaalsContact C-N 3.34Å; A149-K151 PolarHBondContact O-N 2.83Å; K151-Q153 VanDerWaalsContact C-N 3.34Å; K151-Q154 PolarHBondContact O-N 3.48Å; K151-L155 HydrophobicContact CG-CD1 4.24Å; K151-L155 WeakPolarHBondContact O-CG 3.48Å; K151-L155 PolarHBondContact O-N 3.34Å
152M97.2Very high96.7Very high114 Ų114101.2 Ų101.256%0.56252%0.517SS*.Hα-helixtrans-62.4-43.8175.5-176.3-176.5-64.900110.9S148 A149 Q154 L155 N156S148-M152 WeakPolarHBondContact O-CB 3.26Å; S148-M152 PolarHBondContact O-N 3.38Å; A149-M152 WeakPolarHBondContact O-CB 3.35Å; A149-M152 PolarHBondContact O-N 3.12Å; M152-Q154 PolarHBondContact O-N 3.49Å; M152-L155 PolarHBondContact O-N 3.32Å; M152-N156 WeakPolarHBondContact O-CB 3.33Å; M152-N156 PolarHBondContact O-N 3.01Å
153Q97.5Very high96.7Very high142 Ų142101.8 Ų101.866%0.66452%0.52SS*.Hα-helixtrans-62.6-42.2176.7-172.3176.9-10.900111.9A149 D150 K151 N156 A157A149-Q153 PolarHBondContact O-N 2.88Å; D150-Q153 PolarHBondContact O-N 3.17Å; K151-Q153 VanDerWaalsContact C-N 3.34Å; Q153-N156 PolarHBondContact O-N 3.2Å; Q153-A157 WeakPolarHBondContact O-CB 3.49Å; Q153-A157 PolarHBondContact O-N 2.94Å
154Q97.1Very high96.6Very high136 Ų13698.9 Ų98.964%0.63652%0.515SS*.Hα-helixtrans-62.2-45.5175.5-72.6172.9700112.5D150 K151 M152 A157 A158D150-Q154 WeakPolarHBondContact O-CG 3.35Å; D150-Q154 PolarHBondContact O-N 3Å; K151-Q154 PolarHBondContact O-N 3.48Å; M152-Q154 PolarHBondContact O-N 3.49Å; Q154-A157 PolarHBondContact O-N 3.38Å; Q154-A158 PolarHBondContact O-N 3.46Å
155L97.2Very high96.4Very high105 Ų10599.1 Ų99.155%0.5552%0.515SS..Hα-helixtrans-65-40.9178.1-74.1171.6000111.9K151 M152 A158 H159K151-L155 HydrophobicContact CG-CD1 4.24Å; K151-L155 WeakPolarHBondContact O-CG 3.48Å; K151-L155 PolarHBondContact O-N 3.34Å; M152-L155 PolarHBondContact O-N 3.32Å; L155-A158 PolarHBondContact O-N 2.92Å; L155-H159 VanDerWaalsContact O-CB 3.32Å; L155-H159 WeakPolarHBondContact O-CB 3.39Å; L155-H159 PolarHBondContact O-N 2.99Å
156N97.2Very high96.2Very high88 Ų8895.6 Ų95.647%0.47151%0.507SS..Hα-helixtrans-63.2-41.6176-77-13000111.9M152 Q153 H159 Q160M152-N156 WeakPolarHBondContact O-CB 3.33Å; M152-N156 PolarHBondContact O-N 3.01Å; Q153-N156 PolarHBondContact O-N 3.2Å; N156-H159 PolarHBondContact O-N 3.17Å; N156-Q160 WeakPolarHBondContact O-CG 3.5Å; N156-Q160 PolarHBondContact O-N 3.3Å
157A97.1Very high95.8Very high54 Ų5496.6 Ų96.645%0.44651%0.513SS..Hα-helixtrans-62.9-45.6175.700000111.8Q153 Q154 H159 Q160 E161Q153-A157 WeakPolarHBondContact O-CB 3.49Å; Q153-A157 PolarHBondContact O-N 2.94Å; Q154-A157 PolarHBondContact O-N 3.38Å; A157-H159 VanDerWaalsContact C-N 3.33Å; A157-H159 PolarHBondContact O-N 2.84Å; A157-Q160 PolarHBondContact O-N 2.81Å; A157-E161 PolarHBondContact O-N 2.91Å
158A96.8Very high95.3Very high53 Ų53101.5 Ų101.544%0.43852%0.52SS..Hα-helixtrans-63.8-37.9176.800000112.4Q154 L155 E161 A162Q154-A158 PolarHBondContact O-N 3.46Å; L155-A158 PolarHBondContact O-N 2.92Å; A158-E161 PolarHBondContact O-N 3.5Å; A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 2.83Å
159H94.5Very high94.8Very high114 Ų114104.7 Ų104.753%0.52853%0.531SS..Hα-helixtrans-63.9-44175.418060.1000111.9L155 N156 A157 E161 A162 L163L155-H159 VanDerWaalsContact O-CB 3.32Å; L155-H159 WeakPolarHBondContact O-CB 3.39Å; L155-H159 PolarHBondContact O-N 2.99Å; N156-H159 PolarHBondContact O-N 3.17Å; A157-H159 VanDerWaalsContact C-N 3.33Å; A157-H159 PolarHBondContact O-N 2.84Å; H159-E161 PolarHBondContact O-N 3.2Å; H159-A162 PolarHBondContact O-N 3.4Å; H159-L163 WeakPolarHBondContact O-CG 3.5Å; H159-L163 PolarHBondContact O-N 3.34Å
160Q97.2Very high94.1Very high124 Ų124108.8 Ų108.858%0.57955%0.547SS*.Hα-helixtrans-62.4-41.5175-74.1178.4-16.500112.1N156 A157 A162 L163 M164N156-Q160 WeakPolarHBondContact O-CG 3.5Å; N156-Q160 PolarHBondContact O-N 3.3Å; A157-Q160 PolarHBondContact O-N 2.81Å; Q160-A162 VanDerWaalsContact C-N 3.35Å; Q160-A162 PolarHBondContact O-N 2.89Å; Q160-L163 PolarHBondContact O-N 3.39Å; Q160-M164 WeakPolarHBondContact O-CG 3.49Å; Q160-M164 PolarHBondContact O-N 3.08Å
161E96.7Very high93.3Very high104 Ų104108.7 Ų108.749%0.48655%0.552SS.*Hα-helixtrans-62.7-41.9175.6-169.8-169.4155.600111.8A157 A158 H159 M164 K165A157-E161 PolarHBondContact O-N 2.91Å; A158-E161 PolarHBondContact O-N 3.5Å; H159-E161 PolarHBondContact O-N 3.2Å; E161-M164 PolarHBondContact O-N 3.42Å; E161-K165 WeakPolarHBondContact O-CG 3.3Å; E161-K165 PolarHBondContact O-N 2.9Å; E161-K165 WeakPolarHBondContact OE1-CE 3.45Å; E161-K165 IonicContact OE1-NZ 3.85Å; E161-K165 PolarHBondContact OE1-NZ 3.41Å
162A95.8Very high92.2Very high54 Ų54105.9 Ų105.945%0.44655%0.546SS..Hα-helixtrans-63.5-41.5176.600000111.9A158 H159 Q160 K165 L166A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 2.83Å; H159-A162 PolarHBondContact O-N 3.4Å; Q160-A162 VanDerWaalsContact C-N 3.35Å; Q160-A162 PolarHBondContact O-N 2.89Å; A162-K165 PolarHBondContact O-N 2.87Å; A162-L166 PolarHBondContact O-N 3.22Å
163L95.4Very high91.4Very high87 Ų87103.4 Ų103.446%0.45554%0.538SS..Hα-helixtrans-62.3-43.5175-73.7175000112.1H159 Q160 K165 L166 E167H159-L163 WeakPolarHBondContact O-CG 3.5Å; H159-L163 PolarHBondContact O-N 3.34Å; Q160-L163 PolarHBondContact O-N 3.39Å; L163-K165 VanDerWaalsContact C-N 3.28Å; L163-K165 PolarHBondContact O-N 2.91Å; L163-L166 WeakPolarHBondContact O-CB 3.36Å; L163-L166 PolarHBondContact O-N 3.28Å; L163-E167 PolarHBondContact O-N 2.82Å
164M94.1Very high90.4Very high113 Ų113102.2 Ų102.256%0.55754%0.541SS*.Hα-helixtrans-63.3-34.3175.7-71.7-177.4179.600112.6Q160 E161 R168Q160-M164 WeakPolarHBondContact O-CG 3.49Å; Q160-M164 PolarHBondContact O-N 3.08Å; E161-M164 PolarHBondContact O-N 3.42Å; M164-R168 VanDerWaalsContact O-CG 3.29Å; M164-R168 WeakPolarHBondContact O-CG 3.21Å; M164-R168 PolarHBondContact O-N 2.94Å
165K93.4Very high89.5Confident110 Ų110102.9 Ų102.948%0.47854%0.544SS..Hα-helixtrans-69.4-41174.6-73.9175.6-174.6168.20111.7E161 A162 L163 R168 L169E161-K165 WeakPolarHBondContact O-CG 3.3Å; E161-K165 PolarHBondContact O-N 2.9Å; E161-K165 WeakPolarHBondContact OE1-CE 3.45Å; E161-K165 IonicContact OE1-NZ 3.85Å; E161-K165 PolarHBondContact OE1-NZ 3.41Å; A162-K165 PolarHBondContact O-N 2.87Å; L163-K165 VanDerWaalsContact C-N 3.28Å; L163-K165 PolarHBondContact O-N 2.91Å; K165-R168 PolarHBondContact O-N 3.25Å; K165-L169 WeakPolarHBondContact O-CG 3.35Å; K165-L169 PolarHBondContact O-N 3.01Å; K165-L169 VanDerWaalsContact O-N 3.16Å
166L89.9Confident88.6Confident97 Ų97103.2 Ų103.251%0.50854%0.543SS..Hα-helixtrans-61.7-48176.2-163.484.6000110.8A162 L163 R168 L169 D170A162-L166 PolarHBondContact O-N 3.22Å; L163-L166 WeakPolarHBondContact O-CB 3.36Å; L163-L166 PolarHBondContact O-N 3.28Å; L166-R168 VanDerWaalsContact C-N 3.26Å; L166-R168 PolarHBondContact O-N 2.84Å; L166-L169 PolarHBondContact O-N 3.33Å; L166-D170 PolarHBondContact O-N 3.3Å
167E90.3Very high87.9Confident139 Ų139104.4 Ų104.465%0.6555%0.545SS*.Hα-helixtrans-57.8-39.1178-174.4177.8-165.500112.2L163 L169 S171L163-E167 PolarHBondContact O-N 2.82Å; E167-L169 VanDerWaalsContact C-N 3.35Å; E167-S171 WeakPolarHBondContact O-CB 3.33Å; E167-S171 PolarHBondContact O-N 3.02Å; E167-S171 PolarHBondContact O-OG 3.48Å
168R86.7Confident87.3Confident184 Ų184107.1 Ų107.169%0.69455%0.549SS*.Hα-helixtrans-67.1-32.2175.5-73.9175.1-172.7-174.82.7113.8M164 K165 L166 S171M164-R168 VanDerWaalsContact O-CG 3.29Å; M164-R168 WeakPolarHBondContact O-CG 3.21Å; M164-R168 PolarHBondContact O-N 2.94Å; K165-R168 PolarHBondContact O-N 3.25Å; L166-R168 VanDerWaalsContact C-N 3.26Å; L166-R168 PolarHBondContact O-N 2.84Å; R168-S171 WeakPolarHBondContact CA-OG 3.32Å; R168-S171 PolarHBondContact O-OG 3.34Å; R168-S171 VanDerWaalsContact O-OG 3.04Å
169L85.1Confident86.8Confident138 Ų138111 Ų11172%0.72356%0.558SS**Hα-helixtrans-78.3-36.7178.1-70.4170.8000111.4K165 L166 E167 S171K165-L169 WeakPolarHBondContact O-CG 3.35Å; K165-L169 PolarHBondContact O-N 3.01Å; K165-L169 VanDerWaalsContact O-N 3.16Å; L166-L169 PolarHBondContact O-N 3.33Å; E167-L169 VanDerWaalsContact C-N 3.35Å; L169-S171 VanDerWaalsContact C-N 3.31Å
170D82.9Confident86.4Confident123 Ų123112.6 Ų112.666%0.65856%0.564SS**Hα-helixtrans-72.4-26.9175.8-71.5-25.1000112L166 V172L166-D170 PolarHBondContact O-N 3.3Å; D170-V172 PolarHBondContact O-N 2.87Å; D170-V172 VanDerWaalsContact O-N 3.13Å
171S80.3Confident86.1Confident70 Ų70113 Ų11349%0.4956%0.563SS.*  trans-79.787.8171.168.30000110.7E167 R168 L169 P173E167-S171 WeakPolarHBondContact O-CB 3.33Å; E167-S171 PolarHBondContact O-N 3.02Å; E167-S171 PolarHBondContact O-OG 3.48Å; R168-S171 WeakPolarHBondContact CA-OG 3.32Å; R168-S171 PolarHBondContact O-OG 3.34Å; R168-S171 VanDerWaalsContact O-OG 3.04Å; L169-S171 VanDerWaalsContact C-N 3.31Å; S171-P173 VanDerWaalsContact O-CD 3.31Å; S171-P173 WeakPolarHBondContact O-CD 3.47Å
172V74.9Confident85.8Confident75 Ų75114 Ų11446%0.45557%0.568SS.*  trans-65.9120.3164.4-176.90000107.6D170 V174 E176 Q177D170-V172 PolarHBondContact O-N 2.87Å; D170-V172 VanDerWaalsContact O-N 3.13Å; V172-V174 PolarHBondContact O-N 3.47Å; V172-E176 HydrophobicContact CG1-CB 4.03Å; V172-Q177 HydrophobicContact CG1-CB 4.23Å
173P78.5Confident85.7Confident61 Ų61116.9 Ų116.940%0.39658%0.575SS.*  trans-53.5138.4176.3-24.534.1000110.4S171 E175 E176 Q177S171-P173 VanDerWaalsContact O-CD 3.31Å; S171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-E175 PolarHBondContact O-N 2.7Å; P173-E175 VanDerWaalsContact O-N 3.1Å; P173-E176 HydrophobicContact CB-CB 4.43Å; P173-E176 HydrophobicContact CB-CG 4.27Å; P173-E176 WeakPolarHBondContact CD-OE2 3.38Å; P173-E176 HydrophobicContact CG-CG 4.22Å; P173-E176 PolarHBondContact O-N 3.15Å; P173-Q177 PolarHBondContact O-N 3.49Å
174V78.3Confident85.6Confident117 Ų117115.6 Ų115.671%0.70957%0.574SS**Hα-helixtrans-55-33.8179.3179.30000111V172 Q177 E178V172-V174 PolarHBondContact O-N 3.47Å; V174-Q177 PolarHBondContact O-N 3.33Å; V174-E178 VanDerWaalsContact O-CB 3.29Å; V174-E178 WeakPolarHBondContact O-CB 3.41Å; V174-E178 PolarHBondContact O-N 3.01Å
175E77.2Confident85.6Confident150 Ų150113.5 Ų113.570%0.70157%0.565SS**Hα-helixtrans-60.9-50.3174.4-65.1171.8-179.800111.9P173 Q177 E178 E179P173-E175 PolarHBondContact O-N 2.7Å; P173-E175 VanDerWaalsContact O-N 3.1Å; E175-Q177 VanDerWaalsContact C-N 3.34Å; E175-Q177 PolarHBondContact O-N 2.98Å; E175-E178 PolarHBondContact O-N 3.45Å; E175-E179 WeakPolarHBondContact O-CB 3.45Å; E175-E179 WeakPolarHBondContact O-CG 3.31Å; E175-E179 PolarHBondContact O-N 3.45Å
176E78.7Confident85.7Confident113 Ų113109.6 Ų109.653%0.52856%0.555SS.*Hα-helixtrans-65.5-37.6177.7-70.1-174.4178.400112V172 P173 E178 E179 F180V172-E176 HydrophobicContact CG1-CB 4.03Å; P173-E176 HydrophobicContact CB-CB 4.43Å; P173-E176 HydrophobicContact CB-CG 4.27Å; P173-E176 WeakPolarHBondContact CD-OE2 3.38Å; P173-E176 HydrophobicContact CG-CG 4.22Å; P173-E176 PolarHBondContact O-N 3.15Å; E176-E178 VanDerWaalsContact C-N 3.34Å; E176-E179 PolarHBondContact O-N 2.84Å; E176-F180 WeakPolarHBondContact O-CB 3.5Å; E176-F180 PolarHBondContact O-N 2.88Å
177Q82.3Confident85.9Confident113 Ų113109.6 Ų109.653%0.52856%0.555SS.*Hα-helixtrans-66-39176.6-168.76822.800111.5V172 P173 V174 E175 K181V172-Q177 HydrophobicContact CG1-CB 4.23Å; P173-Q177 PolarHBondContact O-N 3.49Å; V174-Q177 PolarHBondContact O-N 3.33Å; E175-Q177 VanDerWaalsContact C-N 3.34Å; E175-Q177 PolarHBondContact O-N 2.98Å; Q177-K181 WeakPolarHBondContact O-CB 3.34Å; Q177-K181 PolarHBondContact O-N 2.9Å
178E84.6Confident86.2Confident111 Ų111108.9 Ų108.952%0.51955%0.552SS.*Hα-helixtrans-71-41.4176.8-170168.3-170.900111.4V174 E175 E176 K181 Q182V174-E178 VanDerWaalsContact O-CB 3.29Å; V174-E178 WeakPolarHBondContact O-CB 3.41Å; V174-E178 PolarHBondContact O-N 3.01Å; E175-E178 PolarHBondContact O-N 3.45Å; E176-E178 VanDerWaalsContact C-N 3.34Å; E178-K181 PolarHBondContact O-N 3.27Å; E178-Q182 WeakPolarHBondContact O-CB 3.38Å; E178-Q182 VanDerWaalsContact O-CG 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.49Å; E178-Q182 PolarHBondContact O-N 2.98Å
179E85.1Confident86.6Confident134 Ų134106.6 Ų106.663%0.62655%0.549SS*.Hα-helixtrans-59.3-46.2172-76.4-175.5-177.300111.6E175 E176 K181 Q182 L183E175-E179 WeakPolarHBondContact O-CB 3.45Å; E175-E179 WeakPolarHBondContact O-CG 3.31Å; E175-E179 PolarHBondContact O-N 3.45Å; E176-E179 PolarHBondContact O-N 2.84Å; E179-K181 VanDerWaalsContact C-N 3.3Å; E179-K181 PolarHBondContact O-N 3.45Å; E179-Q182 PolarHBondContact O-N 3.45Å; E179-L183 WeakPolarHBondContact O-CB 3.29Å; E179-L183 PolarHBondContact O-N 3.09Å
180F86.5Confident87Confident148 Ų148106.1 Ų106.165%0.64955%0.546SS*.Hα-helixtrans-62.7-39.9178-160.1-85.3000111.5E176 S184E176-F180 WeakPolarHBondContact O-CB 3.5Å; E176-F180 PolarHBondContact O-N 2.88Å; F180-S184 VanDerWaalsContact O-CB 3.3Å; F180-S184 WeakPolarHBondContact O-CB 3.46Å; F180-S184 PolarHBondContact O-N 2.86Å
181K90.6Very high87.6Confident133 Ų133105.9 Ų105.958%0.57854%0.541SS*.Hα-helixtrans-65.6-47.6175.9-173-180177.4-172.80111.7Q177 E178 E179 L183 S184 D185Q177-K181 WeakPolarHBondContact O-CB 3.34Å; Q177-K181 PolarHBondContact O-N 2.9Å; E178-K181 PolarHBondContact O-N 3.27Å; E179-K181 VanDerWaalsContact C-N 3.3Å; E179-K181 PolarHBondContact O-N 3.45Å; K181-L183 VanDerWaalsContact C-N 3.3Å; K181-L183 PolarHBondContact O-N 3.36Å; K181-S184 PolarHBondContact O-N 3.16Å; K181-D185 WeakPolarHBondContact O-CB 3.43Å; K181-D185 VanDerWaalsContact O-CG 3.25Å; K181-D185 PolarHBondContact O-N 3.46Å
182Q91.4Very high88.3Confident123 Ų123108 Ų10858%0.57554%0.544SS*.Hα-helixtrans-60-41.1177-73.7179.216.100111.7E178 E179 G186E178-Q182 WeakPolarHBondContact O-CB 3.38Å; E178-Q182 VanDerWaalsContact O-CG 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.49Å; E178-Q182 PolarHBondContact O-N 2.98Å; E179-Q182 PolarHBondContact O-N 3.45Å; Q182-G186 PolarHBondContact O-N 2.86Å
183L92.9Very high89.2Confident116 Ų116107.9 Ų107.961%0.60755%0.546SS*.Hα-helixtrans-65.7-43.1176.6-162.978.2000111.4E179 K181 G186 I187E179-L183 WeakPolarHBondContact O-CB 3.29Å; E179-L183 PolarHBondContact O-N 3.09Å; K181-L183 VanDerWaalsContact C-N 3.3Å; K181-L183 PolarHBondContact O-N 3.36Å; L183-G186 PolarHBondContact O-N 2.99Å; L183-I187 HydrophobicContact CG-CD1 4.33Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å; L183-I187 PolarHBondContact O-N 3.48Å
184S94.1Very high90Very high60 Ų60109.5 Ų109.542%0.4255%0.55SS.*Hα-helixtrans-62.8-46.4176.8-1760000111.9F180 K181 I187 Q188F180-S184 VanDerWaalsContact O-CB 3.3Å; F180-S184 WeakPolarHBondContact O-CB 3.46Å; F180-S184 PolarHBondContact O-N 2.86Å; K181-S184 PolarHBondContact O-N 3.16Å; S184-I187 PolarHBondContact O-N 2.99Å; S184-Q188 PolarHBondContact O-N 2.63Å
185D94.6Very high90.8Very high69 Ų69108.5 Ų108.537%0.36954%0.541SS..Hα-helixtrans-62.9-43.7177.8-69.1-14.4000110K181 I187 Q188 E189K181-D185 WeakPolarHBondContact O-CB 3.43Å; K181-D185 VanDerWaalsContact O-CG 3.25Å; K181-D185 PolarHBondContact O-N 3.46Å; D185-I187 PolarHBondContact O-N 3.49Å; D185-Q188 WeakPolarHBondContact O-CB 3.37Å; D185-Q188 PolarHBondContact O-N 3.27Å; D185-Q188 VanDerWaalsContact O-N 3.17Å; D185-E189 WeakPolarHBondContact O-CG 3.29Å; D185-E189 PolarHBondContact O-N 2.92Å
186G95.4Very high91.7Very high27 Ų27106.9 Ų106.928%0.27853%0.534SS..Hα-helixtrans-63-39176.100000113.8Q182 L183 Q188 L190Q182-G186 PolarHBondContact O-N 2.86Å; L183-G186 PolarHBondContact O-N 2.99Å; G186-Q188 VanDerWaalsContact C-N 3.34Å; G186-L190 WeakPolarHBondContact O-CB 3.31Å; G186-L190 WeakPolarHBondContact O-CG 3.38Å; G186-L190 PolarHBondContact O-N 2.88Å
187I93.8Very high92.4Very high98 Ų98104.7 Ų104.750%0.50353%0.526SS..Hα-helixtrans-63.2-43.5173-72166000110.2L183 S184 D185 L190 Q191L183-I187 HydrophobicContact CG-CD1 4.33Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å; L183-I187 PolarHBondContact O-N 3.48Å; S184-I187 PolarHBondContact O-N 2.99Å; D185-I187 PolarHBondContact O-N 3.49Å; I187-L190 PolarHBondContact O-N 2.72Å; I187-Q191 VanDerWaalsContact O-CB 3.31Å; I187-Q191 WeakPolarHBondContact O-CB 3.48Å; I187-Q191 PolarHBondContact O-N 2.98Å
188Q95.5Very high93Very high124 Ų124105 Ų10558%0.57953%0.525SS*.Hα-helixtrans-65-43.9180-173.1176.3-200111.9S184 D185 G186 Q191 Q192S184-Q188 PolarHBondContact O-N 2.63Å; D185-Q188 WeakPolarHBondContact O-CB 3.37Å; D185-Q188 PolarHBondContact O-N 3.27Å; D185-Q188 VanDerWaalsContact O-N 3.17Å; G186-Q188 VanDerWaalsContact C-N 3.34Å; Q188-Q191 PolarHBondContact O-N 3.01Å; Q188-Q192 WeakPolarHBondContact O-CB 3.45Å; Q188-Q192 PolarHBondContact O-N 3.42Å
189E95Very high93.4Very high135 Ų135105.7 Ų105.763%0.63153%0.528SS*.Hα-helixtrans-62.7-46.3176.2-75.2-176.2178.100112D185 Q191 Q192 S193D185-E189 WeakPolarHBondContact O-CG 3.29Å; D185-E189 PolarHBondContact O-N 2.92Å; E189-Q191 VanDerWaalsContact C-N 3.31Å; E189-Q191 PolarHBondContact O-N 3.13Å; E189-Q192 PolarHBondContact O-N 3.37Å; E189-S193 WeakPolarHBondContact O-CB 3.28Å; E189-S193 PolarHBondContact O-N 3.16Å
190L94.4Very high93.9Very high128 Ų128105.7 Ų105.767%0.6753%0.528SS*.Hα-helixtrans-60.4-42.6176.5-80.3168.3000111.5G186 I187 S193 L194G186-L190 WeakPolarHBondContact O-CB 3.31Å; G186-L190 WeakPolarHBondContact O-CG 3.38Å; G186-L190 PolarHBondContact O-N 2.88Å; I187-L190 PolarHBondContact O-N 2.72Å; L190-S193 PolarHBondContact O-N 3.04Å; L190-L194 VanDerWaalsContact O-CB 3.25Å; L190-L194 WeakPolarHBondContact O-CB 3.08Å; L190-L194 PolarHBondContact O-N 3.1Å
191Q95.5Very high94.2Very high119 Ų119104.1 Ų104.156%0.55652%0.521SS*.Hα-helixtrans-64.9-39.7177.3-171.4175.4-14.100111.7I187 Q188 E189 N195I187-Q191 VanDerWaalsContact O-CB 3.31Å; I187-Q191 WeakPolarHBondContact O-CB 3.48Å; I187-Q191 PolarHBondContact O-N 2.98Å; Q188-Q191 PolarHBondContact O-N 3.01Å; E189-Q191 VanDerWaalsContact C-N 3.31Å; E189-Q191 PolarHBondContact O-N 3.13Å; Q191-N195 WeakPolarHBondContact O-CB 3.4Å; Q191-N195 PolarHBondContact O-N 2.86Å; Q191-N195 VanDerWaalsContact O-N 3.12Å; Q191-N195 PolarHBondContact O-ND2 2.65Å; Q191-N195 VanDerWaalsContact O-ND2 3.14Å
192Q94.4Very high94.4Very high115 Ų115101.4 Ų101.454%0.53752%0.516SS..Hα-helixtrans-67.2-46.1177.1-168.7177.71500111.9Q188 E189 N195 Q196Q188-Q192 WeakPolarHBondContact O-CB 3.45Å; Q188-Q192 PolarHBondContact O-N 3.42Å; E189-Q192 PolarHBondContact O-N 3.37Å; Q192-N195 PolarHBondContact O-N 3.28Å; Q192-Q196 WeakPolarHBondContact O-CG 3.31Å; Q192-Q196 PolarHBondContact O-N 3.47Å
193S94.9Very high94.5Very high71 Ų7199.3 Ų99.350%0.49751%0.508SS..Hα-helixtrans-60.4-45.6177.2179.30000111.7E189 L190 N195 Q196 D197E189-S193 WeakPolarHBondContact O-CB 3.28Å; E189-S193 PolarHBondContact O-N 3.16Å; L190-S193 PolarHBondContact O-N 3.04Å; S193-N195 VanDerWaalsContact C-N 3.35Å; S193-N195 PolarHBondContact O-N 3.08Å; S193-Q196 PolarHBondContact O-N 3.03Å; S193-D197 PolarHBondContact O-N 3.25Å
194L94.8Very high94.6Very high95 Ų9598.1 Ų98.150%0.49751%0.505SS..Hα-helixtrans-59.3-45.6177.1-175.962.7000111.7L190 Q196 D197 F198L190-L194 VanDerWaalsContact O-CB 3.25Å; L190-L194 WeakPolarHBondContact O-CB 3.08Å; L190-L194 PolarHBondContact O-N 3.1Å; L194-Q196 VanDerWaalsContact C-N 3.35Å; L194-Q196 PolarHBondContact O-N 3.13Å; L194-D197 PolarHBondContact O-N 3.35Å; L194-F198 HydrophobicContact CD1-CD2 3.89Å; L194-F198 HydrophobicContact CD1-CE2 3.66Å; L194-F198 HydrophobicContact CG-CD2 3.94Å; L194-F198 HydrophobicContact CG-CE2 3.96Å; L194-F198 WeakPolarHBondContact O-CD2 3.39Å; L194-F198 PolarHBondContact O-N 2.89Å
195N95.7Very high94.6Very high96 Ų96100.9 Ų100.951%0.51351%0.514SS..Hα-helixtrans-64.1-39.1178.4-74.2-25.8000112.4Q191 Q192 S193 H199Q191-N195 WeakPolarHBondContact O-CB 3.4Å; Q191-N195 PolarHBondContact O-N 2.86Å; Q191-N195 VanDerWaalsContact O-N 3.12Å; Q191-N195 PolarHBondContact O-ND2 2.65Å; Q191-N195 VanDerWaalsContact O-ND2 3.14Å; Q192-N195 PolarHBondContact O-N 3.28Å; S193-N195 VanDerWaalsContact C-N 3.35Å; S193-N195 PolarHBondContact O-N 3.08Å; N195-H199 WeakPolarHBondContact O-CB 3.49Å; N195-H199 PolarHBondContact O-N 2.93Å
196Q95.1Very high94.6Very high117 Ų117103.7 Ų103.755%0.54753%0.525SS..Hα-helixtrans-64.8-46.1176.6-73.7175.82.200111.8Q192 S193 L194 F198 H199 Q200Q192-Q196 WeakPolarHBondContact O-CG 3.31Å; Q192-Q196 PolarHBondContact O-N 3.47Å; S193-Q196 PolarHBondContact O-N 3.03Å; L194-Q196 VanDerWaalsContact C-N 3.35Å; L194-Q196 PolarHBondContact O-N 3.13Å; Q196-F198 PolarHBondContact O-N 3.2Å; Q196-H199 PolarHBondContact O-N 3.17Å; Q196-Q200 WeakPolarHBondContact O-CB 3.38Å; Q196-Q200 PolarHBondContact O-N 2.97Å
197D94.5Very high94.5Very high67 Ų67108.9 Ų108.936%0.35854%0.543SS..Hα-helixtrans-61.1-44.1177179.560.6000111.6S193 L194 H199 Q200 K201S193-D197 PolarHBondContact O-N 3.25Å; L194-D197 PolarHBondContact O-N 3.35Å; D197-H199 VanDerWaalsContact C-N 3.34Å; D197-H199 PolarHBondContact O-N 3.34Å; D197-Q200 PolarHBondContact O-N 2.94Å; D197-K201 WeakPolarHBondContact O-CB 3.26Å; D197-K201 WeakPolarHBondContact O-CG 3.46Å; D197-K201 PolarHBondContact O-N 3.25Å; D197-K201 WeakPolarHBondContact OD1-CE 3.43Å; D197-K201 IonicContact OD1-NZ 2.9Å; D197-K201 VanDerWaalsContact OD2-CE 3.25Å; D197-K201 WeakPolarHBondContact OD2-CE 3.44Å; D197-K201 IonicContact OD2-NZ 3.4Å; D197-K201 PolarHBondContact OD2-NZ 3.13Å
198F94.1Very high94.5Very high119 Ų119105.8 Ų105.852%0.52253%0.534SS..Hα-helixtrans-59.9-43174.5-93.9-68.6000112.5L194 Q196 T202L194-F198 HydrophobicContact CD1-CD2 3.89Å; L194-F198 HydrophobicContact CD1-CE2 3.66Å; L194-F198 HydrophobicContact CG-CD2 3.94Å; L194-F198 HydrophobicContact CG-CE2 3.96Å; L194-F198 WeakPolarHBondContact O-CD2 3.39Å; L194-F198 PolarHBondContact O-N 2.89Å; Q196-F198 PolarHBondContact O-N 3.2Å; F198-T202 WeakPolarHBondContact O-CB 3.29Å; F198-T202 PolarHBondContact O-N 3.5Å; F198-T202 PolarHBondContact O-OG1 3.36Å
199H93.8Very high94.5Very high126 Ų126104.7 Ų104.758%0.58353%0.533SS*.Hα-helixtrans-64.1-45178.3-168.259.6000111.4N195 Q196 D197 T202 I203N195-H199 WeakPolarHBondContact O-CB 3.49Å; N195-H199 PolarHBondContact O-N 2.93Å; Q196-H199 PolarHBondContact O-N 3.17Å; D197-H199 VanDerWaalsContact C-N 3.34Å; D197-H199 PolarHBondContact O-N 3.34Å; H199-T202 WeakPolarHBondContact O-CB 3.42Å; H199-T202 PolarHBondContact O-N 3.29Å; H199-I203 WeakPolarHBondContact O-CG1 3.39Å; H199-I203 PolarHBondContact O-N 3.03Å
200Q94.5Very high94.4Very high134 Ų134101.6 Ų101.663%0.62653%0.526SS*.Hα-helixtrans-65.9-43-179.9-168.4154.316.200112.3Q196 D197 T202 I203 V204Q196-Q200 WeakPolarHBondContact O-CB 3.38Å; Q196-Q200 PolarHBondContact O-N 2.97Å; D197-Q200 PolarHBondContact O-N 2.94Å; Q200-T202 VanDerWaalsContact C-N 3.27Å; Q200-T202 PolarHBondContact O-N 2.96Å; Q200-I203 PolarHBondContact O-N 3.23Å; Q200-V204 WeakPolarHBondContact O-CG2 3.45Å; Q200-V204 PolarHBondContact O-N 2.9Å
201K94Very high94.4Very high115 Ų115100.8 Ų100.850%0.552%0.519SS..Hα-helixtrans-58.4-40.4172.2-78.6173.3178.61620112D197 V204 L205D197-K201 WeakPolarHBondContact O-CB 3.26Å; D197-K201 WeakPolarHBondContact O-CG 3.46Å; D197-K201 PolarHBondContact O-N 3.25Å; D197-K201 WeakPolarHBondContact OD1-CE 3.43Å; D197-K201 IonicContact OD1-NZ 2.9Å; D197-K201 VanDerWaalsContact OD2-CE 3.25Å; D197-K201 WeakPolarHBondContact OD2-CE 3.44Å; D197-K201 IonicContact OD2-NZ 3.4Å; D197-K201 PolarHBondContact OD2-NZ 3.13Å; K201-V204 PolarHBondContact O-N 3.33Å; K201-L205 WeakPolarHBondContact O-CB 3.21Å; K201-L205 VanDerWaalsContact O-CG 3.27Å; K201-L205 WeakPolarHBondContact O-CG 3.46Å; K201-L205 PolarHBondContact O-N 3.35Å
202T94.1Very high94.3Very high75 Ų75101.5 Ų101.546%0.4652%0.52SS..Hα-helixtrans-63.4-44.8178.1-580000111.5F198 H199 Q200 L205 Q206F198-T202 WeakPolarHBondContact O-CB 3.29Å; F198-T202 PolarHBondContact O-N 3.5Å; F198-T202 PolarHBondContact O-OG1 3.36Å; H199-T202 WeakPolarHBondContact O-CB 3.42Å; H199-T202 PolarHBondContact O-N 3.29Å; Q200-T202 VanDerWaalsContact C-N 3.27Å; Q200-T202 PolarHBondContact O-N 2.96Å; T202-L205 PolarHBondContact O-N 2.96Å; T202-Q206 WeakPolarHBondContact O-CB 3.41Å; T202-Q206 PolarHBondContact O-N 2.99Å
203I94.1Very high94.4Very high80 Ų80103.8 Ų103.841%0.4153%0.528SS..Hα-helixtrans-60.9-49.8176.8-67.6168.1000110.8H199 Q200 L205 Q206 E207H199-I203 WeakPolarHBondContact O-CG1 3.39Å; H199-I203 PolarHBondContact O-N 3.03Å; Q200-I203 PolarHBondContact O-N 3.23Å; I203-L205 VanDerWaalsContact C-N 3.31Å; I203-L205 PolarHBondContact O-N 3.39Å; I203-Q206 PolarHBondContact O-N 3.22Å; I203-Q206 VanDerWaalsContact O-N 3.12Å; I203-E207 WeakPolarHBondContact O-CB 3.31Å; I203-E207 PolarHBondContact O-N 3.02Å
204V94.4Very high94.4Very high91 Ų91103.5 Ų103.555%0.55253%0.526SS*.Hα-helixtrans-60.1-41.8-179.5171.40000111.4Q200 K201 G208Q200-V204 WeakPolarHBondContact O-CG2 3.45Å; Q200-V204 PolarHBondContact O-N 2.9Å; K201-V204 PolarHBondContact O-N 3.33Å; V204-G208 PolarHBondContact O-N 2.66Å
205L93.8Very high94.4Very high117 Ų117102.1 Ų102.161%0.61352%0.519SS*.Hα-helixtrans-64.8-40.6176-74.3171.2000112K201 T202 I203 N209K201-L205 WeakPolarHBondContact O-CB 3.21Å; K201-L205 VanDerWaalsContact O-CG 3.27Å; K201-L205 WeakPolarHBondContact O-CG 3.46Å; K201-L205 PolarHBondContact O-N 3.35Å; T202-L205 PolarHBondContact O-N 2.96Å; I203-L205 VanDerWaalsContact C-N 3.31Å; I203-L205 PolarHBondContact O-N 3.39Å; L205-N209 WeakPolarHBondContact O-CB 3.49Å; L205-N209 VanDerWaalsContact O-CG 3.29Å; L205-N209 PolarHBondContact O-N 3.42Å
206Q94.2Very high94.3Very high128 Ų128102.7 Ų102.760%0.59852%0.521SS*.Hα-helixtrans-69.8-41-179.8-170.5171.60.900112.5T202 I203 N209 S210T202-Q206 WeakPolarHBondContact O-CB 3.41Å; T202-Q206 PolarHBondContact O-N 2.99Å; I203-Q206 PolarHBondContact O-N 3.22Å; I203-Q206 VanDerWaalsContact O-N 3.12Å; Q206-N209 PolarHBondContact O-N 3.46Å; Q206-S210 WeakPolarHBondContact O-CB 3.37Å; Q206-S210 PolarHBondContact O-N 2.94Å; Q206-S210 PolarHBondContact O-OG 3.11Å
207E94Very high94.3Very high137 Ų137101 Ų10164%0.6452%0.523SS*.Hα-helixtrans-65.3-46.8173.9-173.3175.5-169.300110.9I203 N209 S210 Q211I203-E207 WeakPolarHBondContact O-CB 3.31Å; I203-E207 PolarHBondContact O-N 3.02Å; E207-N209 VanDerWaalsContact C-N 3.3Å; E207-N209 PolarHBondContact O-N 3.3Å; E207-S210 WeakPolarHBondContact O-CB 3.39Å; E207-S210 PolarHBondContact O-N 3.42Å; E207-S210 VanDerWaalsContact O-N 3.09Å; E207-Q211 PolarHBondContact O-N 3.47Å
208G94.4Very high94.3Very high32 Ų32104.2 Ų104.233%0.3354%0.535SS..Hα-helixtrans-58.1-40.8175.500000112.8V204 K212V204-G208 PolarHBondContact O-N 2.66Å; G208-K212 WeakPolarHBondContact O-CB 3.36Å; G208-K212 VanDerWaalsContact O-CG 3.29Å; G208-K212 WeakPolarHBondContact O-CG 3.44Å; G208-K212 PolarHBondContact O-N 3.26Å
209N94Very high94.3Very high102 Ų102106 Ų10655%0.54554%0.543SS..Hα-helixtrans-67.4-40.1174.5-80.2-14.8000112.4L205 Q206 E207 K212 K213L205-N209 WeakPolarHBondContact O-CB 3.49Å; L205-N209 VanDerWaalsContact O-CG 3.29Å; L205-N209 PolarHBondContact O-N 3.42Å; Q206-N209 PolarHBondContact O-N 3.46Å; E207-N209 VanDerWaalsContact C-N 3.3Å; E207-N209 PolarHBondContact O-N 3.3Å; N209-K212 PolarHBondContact O-N 2.68Å; N209-K213 WeakPolarHBondContact O-CB 3.38Å; N209-K213 PolarHBondContact O-N 3.37Å
210S93.5Very high94.3Very high70 Ų70103.3 Ų103.349%0.4954%0.535SS..Hα-helixtrans-64.4-43.6177.7-60.20000111.6Q206 E207 K213 S214Q206-S210 WeakPolarHBondContact O-CB 3.37Å; Q206-S210 PolarHBondContact O-N 2.94Å; Q206-S210 PolarHBondContact O-OG 3.11Å; E207-S210 WeakPolarHBondContact O-CB 3.39Å; E207-S210 PolarHBondContact O-N 3.42Å; E207-S210 VanDerWaalsContact O-N 3.09Å; S210-K213 PolarHBondContact O-N 2.83Å; S210-S214 PolarHBondContact O-N 3.5Å
211Q94.3Very high94.3Very high110 Ų110103.5 Ų103.551%0.51453%0.534SS..Hα-helixtrans-64.1-45176.1-172.160.739.800111.7E207 K213 S214 N215E207-Q211 PolarHBondContact O-N 3.47Å; Q211-K213 VanDerWaalsContact C-N 3.3Å; Q211-K213 PolarHBondContact O-N 3.42Å; Q211-S214 PolarHBondContact O-N 3.28Å; Q211-N215 PolarHBondContact NE2-OD1 3.31Å; Q211-N215 VanDerWaalsContact O-CG 3.24Å; Q211-N215 PolarHBondContact O-N 3.47Å; Q211-N215 PolarHBondContact O-OD1 2.98Å
212K94.8Very high94.3Very high135 Ų135105.8 Ų105.859%0.58754%0.539SS*.Hα-helixtrans-58.3-43.1175-76.9174.9-179.2178.80111.5G208 N209 N215 I216G208-K212 WeakPolarHBondContact O-CB 3.36Å; G208-K212 VanDerWaalsContact O-CG 3.29Å; G208-K212 WeakPolarHBondContact O-CG 3.44Å; G208-K212 PolarHBondContact O-N 3.26Å; N209-K212 PolarHBondContact O-N 2.68Å; K212-N215 PolarHBondContact O-N 3.08Å; K212-I216 VanDerWaalsContact O-CG1 3.26Å; K212-I216 WeakPolarHBondContact O-CG1 3.27Å; K212-I216 PolarHBondContact O-N 2.86Å
213K94.7Very high94.3Very high162 Ų162106.5 Ų106.570%0.70454%0.54SS*.Hα-helixtrans-63.7-41.5177.7-167.5175.6-177.61790112.2N209 S210 Q211 I216 S217N209-K213 WeakPolarHBondContact O-CB 3.38Å; N209-K213 PolarHBondContact O-N 3.37Å; S210-K213 PolarHBondContact O-N 2.83Å; Q211-K213 VanDerWaalsContact C-N 3.3Å; Q211-K213 PolarHBondContact O-N 3.42Å; K213-I216 PolarHBondContact O-N 3.37Å; K213-S217 PolarHBondContact O-N 3.37Å
214S94.9Very high94.1Very high65 Ų65106.5 Ų106.546%0.45554%0.541SS..Hα-helixtrans-61.1-49.4174-171.90000111.7S210 Q211 I216 S217 E218S210-S214 PolarHBondContact O-N 3.5Å; Q211-S214 PolarHBondContact O-N 3.28Å; S214-I216 VanDerWaalsContact C-N 3.31Å; S214-I216 PolarHBondContact O-N 3.45Å; S214-S217 WeakPolarHBondContact O-CB 3.39Å; S214-S217 PolarHBondContact O-N 3.5Å; S214-S217 VanDerWaalsContact O-N 3.1Å; S214-E218 PolarHBondContact O-N 3Å
215N95.7Very high94Very high66 Ų66105.7 Ų105.735%0.35353%0.531SS..Hα-helixtrans-60.1-39.2178.3-69-8.2000112.4Q211 K212 K219Q211-N215 PolarHBondContact NE2-OD1 3.31Å; Q211-N215 VanDerWaalsContact O-CG 3.24Å; Q211-N215 PolarHBondContact O-N 3.47Å; Q211-N215 PolarHBondContact O-OD1 2.98Å; K212-N215 PolarHBondContact O-N 3.08Å; N215-K219 WeakPolarHBondContact O-CB 3.32Å; N215-K219 WeakPolarHBondContact O-CG 3.45Å; N215-K219 PolarHBondContact O-N 3.01Å
216I94.5Very high94Very high109 Ų109104.9 Ų104.956%0.55953%0.527SS*.Hα-helixtrans-64.1-45.2175.2-71.8166.5000110.4K212 K213 S214 K219 T220K212-I216 VanDerWaalsContact O-CG1 3.26Å; K212-I216 WeakPolarHBondContact O-CG1 3.27Å; K212-I216 PolarHBondContact O-N 2.86Å; K213-I216 PolarHBondContact O-N 3.37Å; S214-I216 VanDerWaalsContact C-N 3.31Å; S214-I216 PolarHBondContact O-N 3.45Å; I216-K219 PolarHBondContact O-N 3.4Å; I216-T220 VanDerWaalsContact O-CB 3.29Å; I216-T220 WeakPolarHBondContact O-CB 3.47Å; I216-T220 PolarHBondContact O-N 3.01Å; I216-T220 PolarHBondContact O-OG1 2.93Å
217S94Very high93.9Very high82 Ų82104.6 Ų104.657%0.57352%0.524SS*.Hα-helixtrans-60-46.4177.8-174.10000111.8K213 S214 T220 K221K213-S217 PolarHBondContact O-N 3.37Å; S214-S217 WeakPolarHBondContact O-CB 3.39Å; S214-S217 PolarHBondContact O-N 3.5Å; S214-S217 VanDerWaalsContact O-N 3.1Å; S217-T220 WeakPolarHBondContact O-CB 3.47Å; S217-T220 PolarHBondContact O-N 3.1Å; S217-K221 PolarHBondContact O-N 3.28Å
218E94.7Very high93.7Very high133 Ų133104.1 Ų104.162%0.62153%0.525SS*.Hα-helixtrans-64-47.7178.7-169.8-175.3-17200112.1S214 T220 K221 R222S214-E218 PolarHBondContact O-N 3Å; E218-T220 VanDerWaalsContact C-N 3.27Å; E218-T220 PolarHBondContact O-N 3.44Å; E218-K221 PolarHBondContact O-N 2.91Å; E218-R222 PolarHBondContact O-N 2.92Å
219K94.9Very high93.5Very high158 Ų158105.4 Ų105.469%0.68753%0.529SS*.Hα-helixtrans-60.5-37.8175.5-75.3-177-174.8-68.80111.8N215 I216 R222 L223N215-K219 WeakPolarHBondContact O-CB 3.32Å; N215-K219 WeakPolarHBondContact O-CG 3.45Å; N215-K219 PolarHBondContact O-N 3.01Å; I216-K219 PolarHBondContact O-N 3.4Å; K219-R222 PolarHBondContact O-N 3.33Å; K219-L223 VanDerWaalsContact O-CB 3.28Å; K219-L223 WeakPolarHBondContact O-CB 3.49Å; K219-L223 PolarHBondContact O-N 3.12Å
220T93.5Very high93.3Very high68 Ų68104 Ų10442%0.41752%0.523SS..Hα-helixtrans-65.4-43.5176.7-58.40000111.3I216 S217 E218 L223 N224I216-T220 VanDerWaalsContact O-CB 3.29Å; I216-T220 WeakPolarHBondContact O-CB 3.47Å; I216-T220 PolarHBondContact O-N 3.01Å; I216-T220 PolarHBondContact O-OG1 2.93Å; S217-T220 WeakPolarHBondContact O-CB 3.47Å; S217-T220 PolarHBondContact O-N 3.1Å; E218-T220 VanDerWaalsContact C-N 3.27Å; E218-T220 PolarHBondContact O-N 3.44Å; T220-L223 PolarHBondContact O-N 2.89Å; T220-N224 PolarHBondContact O-N 3.23Å; T220-N224 PolarHBondContact O-ND2 3.33Å
221K94.2Very high93Very high138 Ų138104.4 Ų104.460%0.652%0.523SS*.Hα-helixtrans-60.4-48.3174.4-174.7-178.2175.5-175.70111.4S217 E218 L223 N224 E225S217-K221 PolarHBondContact O-N 3.28Å; E218-K221 PolarHBondContact O-N 2.91Å; K221-L223 VanDerWaalsContact C-N 3.32Å; K221-L223 PolarHBondContact O-N 3.34Å; K221-N224 PolarHBondContact O-N 3.4Å; K221-N224 VanDerWaalsContact O-N 3.12Å; K221-E225 WeakPolarHBondContact CE-OE1 3.43Å; K221-E225 PolarHBondContact O-N 2.94Å
222R93.8Very high92.7Very high163 Ų163101.7 Ų101.762%0.61552%0.516SS*.Hα-helixtrans-61.8-40.4179.1-160.967.9173.2168.9-6.1112.2E218 K219 N224 E225 L226E218-R222 PolarHBondContact O-N 2.92Å; K219-R222 PolarHBondContact O-N 3.33Å; R222-N224 VanDerWaalsContact C-N 3.31Å; R222-N224 PolarHBondContact O-N 2.91Å; R222-E225 WeakPolarHBondContact CD-OE2 3.41Å; R222-E225 IonicContact CZ-OE2 3.41Å; R222-E225 IonicContact NH1-OE2 2.88Å; R222-E225 PolarHBondContact NH1-OE2 3.49Å; R222-E225 PolarHBondContact O-N 3.36Å; R222-L226 HydrophobicContact CG-CD1 4.32Å; R222-L226 WeakPolarHBondContact O-CB 3.49Å; R222-L226 PolarHBondContact O-N 3Å
223L93.7Very high92.3Very high91 Ų91100.5 Ų100.548%0.47652%0.516SS..Hα-helixtrans-60.4-41.3174.8179.664.1000111.5K219 T220 K221 L226 K227K219-L223 VanDerWaalsContact O-CB 3.28Å; K219-L223 WeakPolarHBondContact O-CB 3.49Å; K219-L223 PolarHBondContact O-N 3.12Å; T220-L223 PolarHBondContact O-N 2.89Å; K221-L223 VanDerWaalsContact C-N 3.32Å; K221-L223 PolarHBondContact O-N 3.34Å; L223-L226 PolarHBondContact O-N 2.91Å; L223-K227 WeakPolarHBondContact O-CG 3.39Å; L223-K227 PolarHBondContact O-N 3.37Å
224N90.9Very high91.9Very high80 Ų8098.6 Ų98.643%0.42851%0.507SS..Hα-helixtrans-68.3-40.2177.6-70.7-23.2000112.4T220 K221 R222 L226 K227 L228T220-N224 PolarHBondContact O-N 3.23Å; T220-N224 PolarHBondContact O-ND2 3.33Å; K221-N224 PolarHBondContact O-N 3.4Å; K221-N224 VanDerWaalsContact O-N 3.12Å; R222-N224 VanDerWaalsContact C-N 3.31Å; R222-N224 PolarHBondContact O-N 2.91Å; N224-L226 VanDerWaalsContact C-N 3.35Å; N224-L226 PolarHBondContact O-N 3.44Å; N224-K227 PolarHBondContact O-N 3.09Å; N224-L228 WeakPolarHBondContact O-CG 3.43Å; N224-L228 PolarHBondContact O-N 2.97Å
225E92.6Very high91.3Very high74 Ų74101.8 Ų101.835%0.34652%0.515SS..Hα-helixtrans-60.1-42.7172.7-71.1170.5-17300112.2K221 R222 L228 S229K221-E225 WeakPolarHBondContact CE-OE1 3.43Å; K221-E225 PolarHBondContact O-N 2.94Å; R222-E225 WeakPolarHBondContact CD-OE2 3.41Å; R222-E225 IonicContact CZ-OE2 3.41Å; R222-E225 IonicContact NH1-OE2 2.88Å; R222-E225 PolarHBondContact NH1-OE2 3.49Å; R222-E225 PolarHBondContact O-N 3.36Å; E225-L228 PolarHBondContact O-N 3.38Å; E225-S229 PolarHBondContact O-N 3.46Å; E225-S229 PolarHBondContact O-OG 3.21Å
226L92.8Very high90.6Very high100 Ų100103 Ų10352%0.52452%0.52SS..Hα-helixtrans-64.3-42.8175.3-91.1149000111.7R222 L223 N224 L228 S229 V230R222-L226 HydrophobicContact CG-CD1 4.32Å; R222-L226 WeakPolarHBondContact O-CB 3.49Å; R222-L226 PolarHBondContact O-N 3Å; L223-L226 PolarHBondContact O-N 2.91Å; N224-L226 VanDerWaalsContact C-N 3.35Å; N224-L226 PolarHBondContact O-N 3.44Å; L226-L228 PolarHBondContact O-N 2.99Å; L226-S229 PolarHBondContact O-N 2.94Å; L226-V230 VanDerWaalsContact O-CG2 3.29Å; L226-V230 WeakPolarHBondContact O-CG2 3.4Å; L226-V230 PolarHBondContact O-N 2.96Å
227K91.3Very high89.8Confident122 Ų122102.1 Ų102.153%0.5351%0.514SS..Hα-helixtrans-59.2-45.3175.3-77.3175.7179.2178.10111.6L223 N224 V230 V231L223-K227 WeakPolarHBondContact O-CG 3.39Å; L223-K227 PolarHBondContact O-N 3.37Å; N224-K227 PolarHBondContact O-N 3.09Å; K227-V230 PolarHBondContact O-N 3.43Å; K227-V231 WeakPolarHBondContact O-CG2 3.5Å; K227-V231 PolarHBondContact O-N 3.5Å; K227-V231 VanDerWaalsContact O-N 3.08Å
228L90.4Very high89.1Confident126 Ų126104.6 Ų104.666%0.6652%0.517SS*.Hα-helixtrans-62.5-44.9176.3-72.4170.2000111.8N224 E225 L226 V230 V231 S232N224-L228 WeakPolarHBondContact O-CG 3.43Å; N224-L228 PolarHBondContact O-N 2.97Å; E225-L228 PolarHBondContact O-N 3.38Å; L226-L228 PolarHBondContact O-N 2.99Å; L228-V230 VanDerWaalsContact C-N 3.33Å; L228-V230 PolarHBondContact O-N 3.39Å; L228-V231 PolarHBondContact O-N 2.88Å; L228-S232 PolarHBondContact O-N 3.22Å
229S89.9Confident88.3Confident60 Ų60101.4 Ų101.442%0.4251%0.509SS..Hα-helixtrans-58.4-44.2175.2-61.60000112E225 L226 V231 S232 L233E225-S229 PolarHBondContact O-N 3.46Å; E225-S229 PolarHBondContact O-OG 3.21Å; L226-S229 PolarHBondContact O-N 2.94Å; S229-V231 VanDerWaalsContact C-N 3.33Å; S229-V231 PolarHBondContact O-N 3.43Å; S229-S232 PolarHBondContact O-N 3.45Å; S229-S232 PolarHBondContact O-OG 2.97Å; S229-L233 WeakPolarHBondContact O-CB 3.35Å; S229-L233 WeakPolarHBondContact O-CG 3.41Å; S229-L233 PolarHBondContact O-N 3.49Å
230V89.8Confident87.1Confident71 Ų7198 Ų9843%0.4350%0.498SS..Hα-helixtrans-62.2-38.8177.81680000111.8L226 K227 L228 K234L226-V230 VanDerWaalsContact O-CG2 3.29Å; L226-V230 WeakPolarHBondContact O-CG2 3.4Å; L226-V230 PolarHBondContact O-N 2.96Å; K227-V230 PolarHBondContact O-N 3.43Å; L228-V230 VanDerWaalsContact C-N 3.33Å; L228-V230 PolarHBondContact O-N 3.39Å; V230-K234 HydrophobicContact CG1-CD 4.27Å; V230-K234 WeakPolarHBondContact O-CB 3.49Å; V230-K234 VanDerWaalsContact O-CG 3.3Å; V230-K234 WeakPolarHBondContact O-CG 3.35Å; V230-K234 PolarHBondContact O-N 3.47Å
231V88.3Confident85.8Confident80 Ų80101.4 Ų101.449%0.48551%0.507SS..Hα-helixtrans-64.7-49.4175.61740000110.5K227 L228 S229 L233 K234 E235K227-V231 WeakPolarHBondContact O-CG2 3.5Å; K227-V231 PolarHBondContact O-N 3.5Å; K227-V231 VanDerWaalsContact O-N 3.08Å; L228-V231 PolarHBondContact O-N 2.88Å; S229-V231 VanDerWaalsContact C-N 3.33Å; S229-V231 PolarHBondContact O-N 3.43Å; V231-L233 VanDerWaalsContact C-N 3.34Å; V231-L233 PolarHBondContact O-N 3.39Å; V231-K234 WeakPolarHBondContact O-CB 3.39Å; V231-K234 PolarHBondContact O-N 2.9Å; V231-K234 VanDerWaalsContact O-N 3.14Å; V231-E235 PolarHBondContact O-N 2.86Å
232S86.9Confident84.3Confident52 Ų52100.3 Ų100.336%0.36451%0.512SS..Hα-helixtrans-61-40.1178.970.40000113.1L228 S229 E235 I236L228-S232 PolarHBondContact O-N 3.22Å; S229-S232 PolarHBondContact O-N 3.45Å; S229-S232 PolarHBondContact O-OG 2.97Å; S232-E235 PolarHBondContact O-N 3.35Å; S232-I236 WeakPolarHBondContact O-CG1 3.45Å; S232-I236 PolarHBondContact O-N 3.48Å; S232-I236 VanDerWaalsContact O-N 3.08Å
233L86.8Confident82.1Confident111 Ų111100.6 Ų100.658%0.58152%0.518SS*.Hα-helixtrans-69.1-34.5177.1-74171.8000112S229 V231 I236 Q237S229-L233 WeakPolarHBondContact O-CB 3.35Å; S229-L233 WeakPolarHBondContact O-CG 3.41Å; S229-L233 PolarHBondContact O-N 3.49Å; V231-L233 VanDerWaalsContact C-N 3.34Å; V231-L233 PolarHBondContact O-N 3.39Å; L233-I236 PolarHBondContact O-N 2.9Å; L233-Q237 WeakPolarHBondContact O-CB 3.41Å; L233-Q237 PolarHBondContact O-N 3.22Å
234K85.6Confident79.7Confident122 Ų122102.3 Ų102.353%0.5353%0.526SS..Hα-helixtrans-65.1-43173.2-81.4178.9176-176.30111.4V230 V231 I236 Q237 E238V230-K234 HydrophobicContact CG1-CD 4.27Å; V230-K234 WeakPolarHBondContact O-CB 3.49Å; V230-K234 VanDerWaalsContact O-CG 3.3Å; V230-K234 WeakPolarHBondContact O-CG 3.35Å; V230-K234 PolarHBondContact O-N 3.47Å; V231-K234 WeakPolarHBondContact O-CB 3.39Å; V231-K234 PolarHBondContact O-N 2.9Å; V231-K234 VanDerWaalsContact O-N 3.14Å; K234-I236 VanDerWaalsContact C-N 3.33Å; K234-I236 PolarHBondContact O-N 3.47Å; K234-Q237 WeakPolarHBondContact O-CB 3.37Å; K234-Q237 PolarHBondContact O-N 2.92Å; K234-Q237 VanDerWaalsContact O-N 3.14Å; K234-E238 PolarHBondContact O-N 3.3Å
235E82.9Confident76.9Confident132 Ų132105.1 Ų105.162%0.61755%0.546SS*.Hα-helixtrans-59.6-43.2174.7-71.3175170.800111.8V231 S232 E238 S239V231-E235 PolarHBondContact O-N 2.86Å; S232-E235 PolarHBondContact O-N 3.35Å; E235-E238 PolarHBondContact O-N 3.03Å; E235-S239 PolarHBondContact O-N 3.17Å
236I80.5Confident74.1Confident90 Ų90108.2 Ų108.246%0.46257%0.565SS.*Hα-helixtrans-63.6-43.9173.9-65.7167.4000110.7S232 L233 K234 E238 S239 L240S232-I236 WeakPolarHBondContact O-CG1 3.45Å; S232-I236 PolarHBondContact O-N 3.48Å; S232-I236 VanDerWaalsContact O-N 3.08Å; L233-I236 PolarHBondContact O-N 2.9Å; K234-I236 VanDerWaalsContact C-N 3.33Å; K234-I236 PolarHBondContact O-N 3.47Å; I236-E238 PolarHBondContact O-N 3.33Å; I236-S239 PolarHBondContact O-N 2.93Å; I236-S239 PolarHBondContact O-OG 3.36Å; I236-L240 HydrophobicContact CG2-CD1 3.68Å; I236-L240 HydrophobicContact CG2-CG 4.18Å; I236-L240 WeakPolarHBondContact O-CB 3.46Å; I236-L240 WeakPolarHBondContact O-CG 3.2Å; I236-L240 PolarHBondContact O-N 3.44Å
237Q78.8Confident71.3Confident91 Ų91106.6 Ų106.643%0.42556%0.562SS.*Hα-helixtrans-61.1-42.7178.4-173.8-176.41300112L233 K234 S239 L240 K241L233-Q237 WeakPolarHBondContact O-CB 3.41Å; L233-Q237 PolarHBondContact O-N 3.22Å; K234-Q237 WeakPolarHBondContact O-CB 3.37Å; K234-Q237 PolarHBondContact O-N 2.92Å; K234-Q237 VanDerWaalsContact O-N 3.14Å; Q237-S239 VanDerWaalsContact C-N 3.32Å; Q237-L240 PolarHBondContact O-N 3.41Å; Q237-K241 WeakPolarHBondContact O-CB 3.43Å; Q237-K241 PolarHBondContact O-N 2.85Å
238E78.6Confident69.3Low135 Ų135106.2 Ų106.263%0.63157%0.571SS**Hα-helixtrans-58.6-45.8174.2-136.696.5-144.300110.2K234 E235 I236 L240 K241K234-E238 PolarHBondContact O-N 3.3Å; E235-E238 PolarHBondContact O-N 3.03Å; I236-E238 PolarHBondContact O-N 3.33Å; E238-L240 PolarHBondContact O-N 2.94Å; E238-K241 PolarHBondContact O-N 3.45Å
239S77.3Confident67.3Low65 Ų65108.4 Ų108.446%0.45558%0.578SS.*Hα-helixtrans-64.6-38.9178.482.50000113.1E235 I236 Q237 T242E235-S239 PolarHBondContact O-N 3.17Å; I236-S239 PolarHBondContact O-N 2.93Å; I236-S239 PolarHBondContact O-OG 3.36Å; Q237-S239 VanDerWaalsContact C-N 3.32Å; S239-T242 PolarHBondContact O-OG1 2.95Å
240L70.9Confident65.6Low88 Ų88113.1 Ų113.146%0.46159%0.591SS.*Hα-helixtrans-76.2-33.2-179.4-72.6172.2000112.5I236 Q237 E238 T242 K243I236-L240 HydrophobicContact CG2-CD1 3.68Å; I236-L240 HydrophobicContact CG2-CG 4.18Å; I236-L240 WeakPolarHBondContact O-CB 3.46Å; I236-L240 WeakPolarHBondContact O-CG 3.2Å; I236-L240 PolarHBondContact O-N 3.44Å; Q237-L240 PolarHBondContact O-N 3.41Å; E238-L240 PolarHBondContact O-N 2.94Å; L240-T242 PolarHBondContact O-N 3.44Å; L240-K243 PolarHBondContact O-N 3.47Å
241K65.5Low63.8Low138 Ų138113.8 Ų113.860%0.659%0.592SS**Hα-helixtrans-58.4-28.7175.7-101.4-176.9173.4-178.80112.6Q237 E238 K243Q237-K241 WeakPolarHBondContact O-CB 3.43Å; Q237-K241 PolarHBondContact O-N 2.85Å; E238-K241 PolarHBondContact O-N 3.45Å; K241-K243 PolarHBondContact O-N 2.9Å
242T63.3Low62.5Low116 Ų116117.7 Ų117.771%0.71260%0.602SS**THydrogen-bonded Turntrans-72.1-12175.8670000114.1S239 L240S239-T242 PolarHBondContact O-OG1 2.95Å; L240-T242 PolarHBondContact O-N 3.44Å
243K47.7Very low61.7Low169 Ų169120.6 Ų120.674%0.73561%0.614SS**THydrogen-bonded Turntrans-114.70-168.7-71.1-172.6178.3-177.90116.1L240 K241L240-K243 PolarHBondContact O-N 3.47Å; K241-K243 PolarHBondContact O-N 2.9Å
244I42Very low60.7Low127 Ų127120.3 Ų120.365%0.65161%0.606SS**  trans-122.7112.3-169.2-58.8179.5000111.5
245V33.1Very low60.2Low139 Ų139121.4 Ų121.484%0.84261%0.611SS**  trans-82.3145.7175.9170.70000111.4
246D34.3Very low59.9Low139 Ų139120.2 Ų120.274%0.74361%0.605SS**  trans-66.3132.8-169.5-70.8-57000115.4
247S32.8Very low59.9Low66 Ų66122.4 Ų122.446%0.46261%0.611SS.*  trans-128.2128.2156.5173.30000108.6E249 K250S247-E249 VanDerWaalsContact C-N 3.32Å; S247-E249 PolarHBondContact O-N 2.92Å; S247-K250 PolarHBondContact O-N 3.16Å
248P50.4Low60Low113 Ų113121.2 Ų121.273%0.73461%0.606SS**Hα-helixtrans-72.7-18.8-157.3-15.631.4000114.5L251P248-L251 WeakPolarHBondContact O-CB 3.4Å; P248-L251 PolarHBondContact O-N 2.99Å
249E48.8Very low60.2Low173 Ų173122.1 Ų122.181%0.80861%0.608SS**Hα-helixtrans-75.1-27.4178.3-77.1-172.5143.600113S247 L251S247-E249 VanDerWaalsContact C-N 3.32Å; S247-E249 PolarHBondContact O-N 2.92Å; E249-L251 VanDerWaalsContact C-N 3.27Å; E249-L251 PolarHBondContact O-N 3.03Å
250K52.2Low60.5Low159 Ų159123.2 Ų123.269%0.69161%0.609SS**Hα-helixtrans-70-26.4172.7-69-176.1-178.9175.30111.8S247 K252 N253 Y254S247-K250 PolarHBondContact O-N 3.16Å; K250-K252 PolarHBondContact O-N 3.3Å; K250-N253 PolarHBondContact O-N 2.94Å; K250-Y254 WeakPolarHBondContact O-CB 3.42Å; K250-Y254 PolarHBondContact O-N 3.03Å
251L52.3Low61.2Low85 Ų85122.2 Ų122.245%0.44561%0.607SS.*Hα-helixtrans-68.1-33.9-175.7-149.688.7000112.7P248 E249 K255P248-L251 WeakPolarHBondContact O-CB 3.4Å; P248-L251 PolarHBondContact O-N 2.99Å; E249-L251 VanDerWaalsContact C-N 3.27Å; E249-L251 PolarHBondContact O-N 3.03Å; L251-K255 WeakPolarHBondContact O-CB 3.45Å; L251-K255 WeakPolarHBondContact O-CG 3.38Å; L251-K255 PolarHBondContact O-N 3.34Å
252K62.5Low62.2Low161 Ų161119.6 Ų119.670%0.760%0.602SS**Hα-helixtrans-70.8-49.3176.4-168.9178.9-179.6-177.10111.2K250 Y254 K255 E256K250-K252 PolarHBondContact O-N 3.3Å; K252-Y254 VanDerWaalsContact C-N 3.29Å; K252-Y254 PolarHBondContact O-N 2.88Å; K252-K255 PolarHBondContact O-N 3.36Å; K252-E256 PolarHBondContact O-N 2.87Å
253N69.5Low63.4Low113 Ų113118.5 Ų118.560%0.60459%0.589SS**Hα-helixtrans-64-34.9176.5-112.7-10000112.4K250 K257K250-N253 PolarHBondContact O-N 2.94Å; N253-K257 WeakPolarHBondContact O-CB 3.33Å; N253-K257 WeakPolarHBondContact O-CG 3.4Å; N253-K257 PolarHBondContact O-N 3.28Å
254Y66.2Low65.4Low106 Ų106117.4 Ų117.442%0.41658%0.584SS.*Hα-helixtrans-70.6-41.1174.8-174.1-101.2000112.1K250 K252 K257 M258K250-Y254 WeakPolarHBondContact O-CB 3.42Å; K250-Y254 PolarHBondContact O-N 3.03Å; K252-Y254 VanDerWaalsContact C-N 3.29Å; K252-Y254 PolarHBondContact O-N 2.88Å; Y254-K257 PolarHBondContact O-N 3.42Å; Y254-M258 HydrophobicContact CE1-CE 3.58Å; Y254-M258 HydrophobicContact CE2-CE 3.84Å; Y254-M258 WeakPolarHBondContact O-CA 3.47Å; Y254-M258 WeakPolarHBondContact O-CB 3.21Å; Y254-M258 PolarHBondContact O-N 2.91Å; Y254-M258 WeakPolarHBondContact OH-CE 3.42Å
255K73.8Confident67.6Low145 Ų145116.9 Ų116.963%0.6358%0.582SS**Hα-helixtrans-61.8-41.8173.8-86.8-175.3176.5-179.40111.9L251 K252 M258 K259L251-K255 WeakPolarHBondContact O-CB 3.45Å; L251-K255 WeakPolarHBondContact O-CG 3.38Å; L251-K255 PolarHBondContact O-N 3.34Å; K252-K255 PolarHBondContact O-N 3.36Å; K255-M258 PolarHBondContact O-N 3.48Å; K255-K259 VanDerWaalsContact O-CB 3.26Å; K255-K259 WeakPolarHBondContact O-CB 3.41Å; K255-K259 PolarHBondContact O-N 3.03Å
256E77.9Confident70.3Confident106 Ų106116.9 Ų116.950%0.49557%0.571SS.*Hα-helixtrans-62.6-52.7175.8-145.185-148.900110.8K252 M258 K259 D260K252-E256 PolarHBondContact O-N 2.87Å; E256-M258 VanDerWaalsContact C-N 3.3Å; E256-M258 PolarHBondContact O-N 3.31Å; E256-K259 WeakPolarHBondContact O-CB 3.43Å; E256-K259 PolarHBondContact O-N 3.06Å; E256-D260 PolarHBondContact O-N 3.45Å
257K79.9Confident73Confident137 Ų137113.9 Ų113.960%0.59656%0.555SS**Hα-helixtrans-61.3-36.8177.4-76.2-177.8178.5-177.40112.8N253 Y254 T261N253-K257 WeakPolarHBondContact O-CB 3.33Å; N253-K257 WeakPolarHBondContact O-CG 3.4Å; N253-K257 PolarHBondContact O-N 3.28Å; Y254-K257 PolarHBondContact O-N 3.42Å; K257-T261 VanDerWaalsContact O-CB 3.32Å; K257-T261 WeakPolarHBondContact O-CB 3.43Å; K257-T261 PolarHBondContact O-N 3.29Å; K257-T261 PolarHBondContact O-OG1 2.93Å
258M81.4Confident75.8Confident66 Ų66112.9 Ų112.933%0.32555%0.55SS.*Hα-helixtrans-70.6-41.1177.7-170.86266.500110.7Y254 K255 E256 D260 T261 V262Y254-M258 HydrophobicContact CE1-CE 3.58Å; Y254-M258 HydrophobicContact CE2-CE 3.84Å; Y254-M258 WeakPolarHBondContact O-CA 3.47Å; Y254-M258 WeakPolarHBondContact O-CB 3.21Å; Y254-M258 PolarHBondContact O-N 2.91Å; Y254-M258 WeakPolarHBondContact OH-CE 3.42Å; K255-M258 PolarHBondContact O-N 3.48Å; E256-M258 VanDerWaalsContact C-N 3.3Å; E256-M258 PolarHBondContact O-N 3.31Å; M258-D260 VanDerWaalsContact C-N 3.33Å; M258-D260 PolarHBondContact O-N 3.14Å; M258-T261 PolarHBondContact O-N 3.35Å; M258-V262 HydrophobicContact CG-CG2 4.21Å; M258-V262 VanDerWaalsContact O-CB 3.29Å; M258-V262 WeakPolarHBondContact O-CB 3.46Å; M258-V262 WeakPolarHBondContact O-CG2 3.27Å; M258-V262 PolarHBondContact O-N 3.22Å; M258-V262 HydrophobicContact SD-CG2 4.25Å
259K82.8Confident77.8Confident153 Ų153116.4 Ų116.467%0.66555%0.549SS*.Hα-helixtrans-60-45.2173.4-170.5-177.9177.9-171.60110.6K255 E256 T261 Q263K255-K259 VanDerWaalsContact O-CB 3.26Å; K255-K259 WeakPolarHBondContact O-CB 3.41Å; K255-K259 PolarHBondContact O-N 3.03Å; E256-K259 WeakPolarHBondContact O-CB 3.43Å; E256-K259 PolarHBondContact O-N 3.06Å; K259-T261 PolarHBondContact O-N 3.44Å; K259-Q263 VanDerWaalsContact O-CB 3.23Å; K259-Q263 WeakPolarHBondContact O-CB 3.43Å; K259-Q263 PolarHBondContact O-N 3.31Å
260D83.8Confident79.9Confident88 Ų88112.8 Ų112.847%0.47153%0.532SS..Hα-helixtrans-63.1-41.4174.6-78.2-7.8000112.5E256 M258 Q263 K264E256-D260 PolarHBondContact O-N 3.45Å; M258-D260 VanDerWaalsContact C-N 3.33Å; M258-D260 PolarHBondContact O-N 3.14Å; D260-Q263 PolarHBondContact O-N 2.87Å; D260-K264 WeakPolarHBondContact O-CB 3.34Å; D260-K264 VanDerWaalsContact O-CG 3.23Å; D260-K264 WeakPolarHBondContact O-CG 3.29Å; D260-K264 PolarHBondContact O-N 3.45Å
261T84.9Confident81.8Confident68 Ų68110.2 Ų110.242%0.41752%0.522SS..Hα-helixtrans-70.2-43.5-179.5-55.90000111.2K257 M258 K259 Q263 K264 L265K257-T261 VanDerWaalsContact O-CB 3.32Å; K257-T261 WeakPolarHBondContact O-CB 3.43Å; K257-T261 PolarHBondContact O-N 3.29Å; K257-T261 PolarHBondContact O-OG1 2.93Å; M258-T261 PolarHBondContact O-N 3.35Å; K259-T261 PolarHBondContact O-N 3.44Å; T261-Q263 VanDerWaalsContact C-N 3.3Å; T261-Q263 PolarHBondContact O-N 3.39Å; T261-K264 PolarHBondContact O-N 2.94Å; T261-L265 HydrophobicContact CG2-CD1 4.19Å; T261-L265 WeakPolarHBondContact O-CB 3.44Å; T261-L265 WeakPolarHBondContact O-CG 3.42Å; T261-L265 PolarHBondContact O-N 2.84Å
262V86.3Confident83.6Confident83 Ų83110.8 Ų110.850%0.50353%0.529SS..Hα-helixtrans-61.9-42174.3169.60000109.9M258 L265 K266M258-V262 HydrophobicContact CG-CG2 4.21Å; M258-V262 VanDerWaalsContact O-CB 3.29Å; M258-V262 WeakPolarHBondContact O-CB 3.46Å; M258-V262 WeakPolarHBondContact O-CG2 3.27Å; M258-V262 PolarHBondContact O-N 3.22Å; M258-V262 HydrophobicContact SD-CG2 4.25Å; V262-L265 PolarHBondContact O-N 2.89Å; V262-K266 VanDerWaalsContact O-CB 3.28Å; V262-K266 WeakPolarHBondContact O-CB 3.33Å; V262-K266 PolarHBondContact O-N 3.38Å
263Q88.6Confident85Confident92 Ų92105.6 Ų105.643%0.4351%0.511SS..Hα-helixtrans-65-43.8176-169.361.24600111.7K259 D260 T261 L265 K266 N267K259-Q263 VanDerWaalsContact O-CB 3.23Å; K259-Q263 WeakPolarHBondContact O-CB 3.43Å; K259-Q263 PolarHBondContact O-N 3.31Å; D260-Q263 PolarHBondContact O-N 2.87Å; T261-Q263 VanDerWaalsContact C-N 3.3Å; T261-Q263 PolarHBondContact O-N 3.39Å; Q263-L265 PolarHBondContact O-N 3.35Å; Q263-K266 PolarHBondContact O-N 3.1Å; Q263-N267 PolarHBondContact NE2-OD1 3.47Å; Q263-N267 WeakPolarHBondContact O-CB 3.48Å; Q263-N267 PolarHBondContact O-N 3.06Å; Q263-N267 PolarHBondContact O-OD1 3.15Å
264K89.1Confident86.1Confident146 Ų146104.4 Ų104.464%0.63550%0.502SS*.Hα-helixtrans-61.3-43.1174.5-76.4172.5-176.5178.30112.4D260 T261 N267 A268D260-K264 WeakPolarHBondContact O-CB 3.34Å; D260-K264 VanDerWaalsContact O-CG 3.23Å; D260-K264 WeakPolarHBondContact O-CG 3.29Å; D260-K264 PolarHBondContact O-N 3.45Å; T261-K264 PolarHBondContact O-N 2.94Å; K264-N267 PolarHBondContact O-N 3.06Å; K264-A268 VanDerWaalsContact O-CB 3.3Å; K264-A268 WeakPolarHBondContact O-CB 3.47Å; K264-A268 PolarHBondContact O-N 3.39Å
265L88.8Confident87.3Confident116 Ų116104.6 Ų104.661%0.60751%0.505SS*.Hα-helixtrans-67.8-37.8176.9-75.2172.6000112T261 V262 Q263 A268 R269T261-L265 HydrophobicContact CG2-CD1 4.19Å; T261-L265 WeakPolarHBondContact O-CB 3.44Å; T261-L265 WeakPolarHBondContact O-CG 3.42Å; T261-L265 PolarHBondContact O-N 2.84Å; V262-L265 PolarHBondContact O-N 2.89Å; Q263-L265 PolarHBondContact O-N 3.35Å; L265-A268 PolarHBondContact O-N 3.41Å; L265-R269 VanDerWaalsContact O-CB 3.24Å; L265-R269 WeakPolarHBondContact O-CB 3.43Å; L265-R269 PolarHBondContact O-N 3.19Å
266K90.2Very high88.1Confident140 Ų140106.3 Ų106.361%0.60951%0.508SS*.Hα-helixtrans-62.9-46.3174-171.5-179.5178.7-175.70110.5V262 Q263 R269 Q270V262-K266 VanDerWaalsContact O-CB 3.28Å; V262-K266 WeakPolarHBondContact O-CB 3.33Å; V262-K266 PolarHBondContact O-N 3.38Å; Q263-K266 PolarHBondContact O-N 3.1Å; K266-R269 PolarHBondContact O-N 2.96Å; K266-Q270 WeakPolarHBondContact O-CB 3.47Å; K266-Q270 PolarHBondContact O-N 3.45Å
267N91.5Very high88.7Confident76 Ų76106.5 Ų106.541%0.40651%0.509SS..Hα-helixtrans-62.9-46.9176-65.81000111.4Q263 K264 R269 Q270 E271Q263-N267 PolarHBondContact NE2-OD1 3.47Å; Q263-N267 WeakPolarHBondContact O-CB 3.48Å; Q263-N267 PolarHBondContact O-N 3.06Å; Q263-N267 PolarHBondContact O-OD1 3.15Å; K264-N267 PolarHBondContact O-N 3.06Å; N267-R269 PolarHBondContact O-N 2.82Å; N267-Q270 WeakPolarHBondContact O-CB 3.46Å; N267-Q270 PolarHBondContact O-N 3.42Å; N267-E271 WeakPolarHBondContact O-CG 3.31Å; N267-E271 PolarHBondContact O-N 2.91Å
268A91.3Very high89.2Confident44 Ų44104.7 Ų104.736%0.36451%0.505SS..Hα-helixtrans-65-38178.800000112.7K264 L265 E271 V272K264-A268 VanDerWaalsContact O-CB 3.3Å; K264-A268 WeakPolarHBondContact O-CB 3.47Å; K264-A268 PolarHBondContact O-N 3.39Å; L265-A268 PolarHBondContact O-N 3.41Å; A268-E271 PolarHBondContact O-N 2.88Å; A268-V272 WeakPolarHBondContact O-CG2 3.35Å; A268-V272 PolarHBondContact O-N 3.45Å
269R91.3Very high89.7Confident188 Ų188109 Ų10971%0.70952%0.519SS*.Hα-helixtrans-62.4-46.4172.3175.4-176.4162.7178.9-3.8110.3L265 K266 N267 E271 V272 V273L265-R269 VanDerWaalsContact O-CB 3.24Å; L265-R269 WeakPolarHBondContact O-CB 3.43Å; L265-R269 PolarHBondContact O-N 3.19Å; K266-R269 PolarHBondContact O-N 2.96Å; N267-R269 PolarHBondContact O-N 2.82Å; R269-E271 VanDerWaalsContact C-N 3.34Å; R269-V272 PolarHBondContact O-N 2.89Å; R269-V273 HydrophobicContact CG-CG2 4.41Å; R269-V273 WeakPolarHBondContact O-CG2 3.42Å; R269-V273 PolarHBondContact O-N 2.9Å
270Q93.1Very high90Very high97 Ų97103 Ų10345%0.45350%0.5SS..Hα-helixtrans-59.1-46.2178-175.361.532.500110.8K266 N267 V272 V273 E274K266-Q270 WeakPolarHBondContact O-CB 3.47Å; K266-Q270 PolarHBondContact O-N 3.45Å; N267-Q270 WeakPolarHBondContact O-CB 3.46Å; N267-Q270 PolarHBondContact O-N 3.42Å; Q270-V272 VanDerWaalsContact C-N 3.31Å; Q270-V272 PolarHBondContact O-N 3.36Å; Q270-V273 PolarHBondContact O-N 3.22Å; Q270-E274 VanDerWaalsContact CG-OE1 3.28Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.47Å; Q270-E274 PolarHBondContact NE2-OE1 3.49Å; Q270-E274 WeakPolarHBondContact O-CB 3.18Å; Q270-E274 WeakPolarHBondContact O-CG 3.33Å; Q270-E274 PolarHBondContact O-N 2.96Å
271E92Very high90.3Very high104 Ų104104.2 Ų104.249%0.48651%0.506SS..Hα-helixtrans-59.7-37.3175.1-74.6177.2-15900113.4N267 A268 R269 K275N267-E271 WeakPolarHBondContact O-CG 3.31Å; N267-E271 PolarHBondContact O-N 2.91Å; A268-E271 PolarHBondContact O-N 2.88Å; R269-E271 VanDerWaalsContact C-N 3.34Å; E271-K275 WeakPolarHBondContact O-CB 3.36Å; E271-K275 VanDerWaalsContact O-CG 3.27Å; E271-K275 WeakPolarHBondContact O-CG 3.15Å; E271-K275 PolarHBondContact O-N 2.97Å
272V91.7Very high90.5Very high98 Ų98103.9 Ų103.959%0.59451%0.507SS*.Hα-helixtrans-71.8-39.6177.3170.90000111.1A268 R269 Q270 K275 Y276A268-V272 WeakPolarHBondContact O-CG2 3.35Å; A268-V272 PolarHBondContact O-N 3.45Å; R269-V272 PolarHBondContact O-N 2.89Å; Q270-V272 VanDerWaalsContact C-N 3.31Å; Q270-V272 PolarHBondContact O-N 3.36Å; V272-K275 PolarHBondContact O-N 2.86Å; V272-Y276 WeakPolarHBondContact O-CB 3.41Å; V272-Y276 PolarHBondContact O-N 3.42Å
273V91.6Very high90.7Very high52 Ų52104.1 Ų104.132%0.31551%0.509SS..Hα-helixtrans-63.3-49175.11710000109.9R269 Q270 K275 Y276 E277R269-V273 HydrophobicContact CG-CG2 4.41Å; R269-V273 WeakPolarHBondContact O-CG2 3.42Å; R269-V273 PolarHBondContact O-N 2.9Å; Q270-V273 PolarHBondContact O-N 3.22Å; V273-K275 VanDerWaalsContact C-N 3.33Å; V273-K275 PolarHBondContact O-N 3.4Å; V273-Y276 WeakPolarHBondContact O-CB 3.41Å; V273-Y276 PolarHBondContact O-N 3.49Å; V273-Y276 VanDerWaalsContact O-N 3.08Å; V273-E277 HydrophobicContact CG1-CG 4.43Å; V273-E277 WeakPolarHBondContact O-CG 3.43Å; V273-E277 PolarHBondContact O-N 3.31Å
274E92Very high90.8Very high87 Ų87105.8 Ų105.841%0.40752%0.52SS..Hα-helixtrans-58.4-43.1176.6-73.5169.2-172.400111.8Q270 E277 I278Q270-E274 VanDerWaalsContact CG-OE1 3.28Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.47Å; Q270-E274 PolarHBondContact NE2-OE1 3.49Å; Q270-E274 WeakPolarHBondContact O-CB 3.18Å; Q270-E274 WeakPolarHBondContact O-CG 3.33Å; Q270-E274 PolarHBondContact O-N 2.96Å; E274-E277 PolarHBondContact O-N 3.33Å; E274-I278 WeakPolarHBondContact O-CD1 3.31Å; E274-I278 WeakPolarHBondContact O-CG1 3.35Å; E274-I278 PolarHBondContact O-N 2.89Å
275K92Very high90.8Very high111 Ų111101.8 Ų101.848%0.48351%0.51SS..Hα-helixtrans-65.1-39.2174.7-77.9173.2-177.4163.70112.9E271 V272 V273 I278 Y279E271-K275 WeakPolarHBondContact O-CB 3.36Å; E271-K275 VanDerWaalsContact O-CG 3.27Å; E271-K275 WeakPolarHBondContact O-CG 3.15Å; E271-K275 PolarHBondContact O-N 2.97Å; V272-K275 PolarHBondContact O-N 2.86Å; V273-K275 VanDerWaalsContact C-N 3.33Å; V273-K275 PolarHBondContact O-N 3.4Å; K275-I278 PolarHBondContact O-N 3.19Å; K275-Y279 HydrophobicContact CB-CE2 4.41Å; K275-Y279 WeakPolarHBondContact O-CD2 3.47Å; K275-Y279 PolarHBondContact O-N 3Å
276Y89.2Confident90.9Very high180 Ų180101 Ų10171%0.70651%0.506SS*.Hα-helixtrans-66.2-41.9177.7-179-92.5000111.1V272 V273 Y279 G280V272-Y276 WeakPolarHBondContact O-CB 3.41Å; V272-Y276 PolarHBondContact O-N 3.42Å; V273-Y276 WeakPolarHBondContact O-CB 3.41Å; V273-Y276 PolarHBondContact O-N 3.49Å; V273-Y276 VanDerWaalsContact O-N 3.08Å; Y276-Y279 PolarHBondContact O-N 3.41Å; Y276-G280 PolarHBondContact O-N 2.72Å
277E91.9Very high91.1Very high111 Ų11198.3 Ų98.352%0.51950%0.503SS..Hα-helixtrans-60.7-48.3173.6-72.3173.1171.900110.7V273 E274 Y279 G280 D281V273-E277 HydrophobicContact CG1-CG 4.43Å; V273-E277 WeakPolarHBondContact O-CG 3.43Å; V273-E277 PolarHBondContact O-N 3.31Å; E274-E277 PolarHBondContact O-N 3.33Å; E277-Y279 VanDerWaalsContact C-N 3.32Å; E277-Y279 PolarHBondContact O-N 3.49Å; E277-G280 WeakPolarHBondContact O-CA 3.37Å; E277-G280 PolarHBondContact O-N 3.29Å; E277-G280 VanDerWaalsContact O-N 3.1Å; E277-D281 VanDerWaalsContact O-CG 3.3Å; E277-D281 PolarHBondContact O-N 3.36Å
278I90.5Very high91.1Very high99 Ų9998.5 Ų98.551%0.50851%0.51SS..Hα-helixtrans-58.7-40.9175.9-68.1163.7000112.2E274 K275 S282E274-I278 WeakPolarHBondContact O-CD1 3.31Å; E274-I278 WeakPolarHBondContact O-CG1 3.35Å; E274-I278 PolarHBondContact O-N 2.89Å; K275-I278 PolarHBondContact O-N 3.19Å; I278-S282 WeakPolarHBondContact O-CB 3.33Å; I278-S282 PolarHBondContact O-N 2.88Å; I278-S282 VanDerWaalsContact O-N 3.08Å; I278-S282 PolarHBondContact O-OG 2.81Å
279Y90.3Very high91.1Very high157 Ų15799.3 Ų99.362%0.61651%0.512SS*.Hα-helixtrans-71.6-36.5176.2-69.4-41.8000112.5K275 Y276 E277 S282 V283K275-Y279 HydrophobicContact CB-CE2 4.41Å; K275-Y279 WeakPolarHBondContact O-CD2 3.47Å; K275-Y279 PolarHBondContact O-N 3Å; Y276-Y279 PolarHBondContact O-N 3.41Å; E277-Y279 VanDerWaalsContact C-N 3.32Å; E277-Y279 PolarHBondContact O-N 3.49Å; Y279-S282 PolarHBondContact O-N 3.32Å; Y279-V283 VanDerWaalsContact O-CG2 3.32Å; Y279-V283 WeakPolarHBondContact O-CG2 3.37Å; Y279-V283 PolarHBondContact O-N 2.93Å
280G90.7Very high91.2Very high25 Ų2596.3 Ų96.326%0.25851%0.506SS..Hα-helixtrans-58.1-53.4172.500000110.9Y276 E277 S282 V283 D284Y276-G280 PolarHBondContact O-N 2.72Å; E277-G280 WeakPolarHBondContact O-CA 3.37Å; E277-G280 PolarHBondContact O-N 3.29Å; E277-G280 VanDerWaalsContact O-N 3.1Å; G280-S282 PolarHBondContact O-N 2.92Å; G280-V283 PolarHBondContact O-N 2.74Å; G280-D284 WeakPolarHBondContact O-CB 3.36Å; G280-D284 PolarHBondContact O-N 3.44Å
281D89.5Confident91.3Very high114 Ų11496.6 Ų96.661%0.6151%0.51SS*.Hα-helixtrans-56.9-38.3176.4-65.9-16.7000112.1E277 C285E277-D281 VanDerWaalsContact O-CG 3.3Å; E277-D281 PolarHBondContact O-N 3.36Å; D281-C285 PolarHBondContact O-N 3.31Å
282S89.1Confident91.4Very high62 Ų6296.1 Ų96.143%0.43451%0.508SS..Hα-helixtrans-71.1-29.2177.1-59.20000113.4I278 Y279 G280 C285I278-S282 WeakPolarHBondContact O-CB 3.33Å; I278-S282 PolarHBondContact O-N 2.88Å; I278-S282 VanDerWaalsContact O-N 3.08Å; I278-S282 PolarHBondContact O-OG 2.81Å; Y279-S282 PolarHBondContact O-N 3.32Å; G280-S282 PolarHBondContact O-N 2.92Å; S282-C285 PolarHBondContact O-SG 3.4Å
283V90.7Very high91.5Very high88 Ų8895.3 Ų95.353%0.53350%0.503SS..Hα-helixtrans-82-38.2176.5169.20000110.3Y279 G280 C285 L286 P287Y279-V283 VanDerWaalsContact O-CG2 3.32Å; Y279-V283 WeakPolarHBondContact O-CG2 3.37Å; Y279-V283 PolarHBondContact O-N 2.93Å; G280-V283 PolarHBondContact O-N 2.74Å; V283-C285 PolarHBondContact O-N 2.95Å; V283-L286 HydrophobicContact CG1-CD1 4.47Å; V283-L286 VanDerWaalsContact O-CB 3.31Å; V283-L286 WeakPolarHBondContact O-CB 3.35Å; V283-L286 PolarHBondContact O-N 2.89Å; V283-P287 WeakPolarHBondContact O-CD 3.42Å
284D89.8Confident91.6Very high127 Ų12797.5 Ų97.568%0.67951%0.51SS*.Hα-helixtrans-63.5-23.2179-76.5-10.4000112.7G280 P287G280-D284 WeakPolarHBondContact O-CB 3.36Å; G280-D284 PolarHBondContact O-N 3.44Å; D284-P287 WeakPolarHBondContact O-CD 3.15Å
285C89.7Confident91.8Very high62 Ų6298.6 Ų98.642%0.41952%0.518SS..THydrogen-bonded Turntrans-82.3-16.8173.978.10000114.2D281 S282 V283 S288 C289D281-C285 PolarHBondContact O-N 3.31Å; S282-C285 PolarHBondContact O-SG 3.4Å; V283-C285 PolarHBondContact O-N 2.95Å; C285-S288 WeakPolarHBondContact O-CB 3.44Å; C285-S288 PolarHBondContact O-N 2.89Å; C285-S288 VanDerWaalsContact O-N 3.12Å; C285-C289 PolarHBondContact O-N 3.3Å; C285-C289 VanDerWaalsContact O-N 3.13Å
286L91.4Very high92Very high99 Ų9999.4 Ų99.452%0.51852%0.519SS..Hα-helixtrans-60.8-41.2-177.5-69.2172.7000114.1V283 S288 C289 Q290V283-L286 HydrophobicContact CG1-CD1 4.47Å; V283-L286 VanDerWaalsContact O-CB 3.31Å; V283-L286 WeakPolarHBondContact O-CB 3.35Å; V283-L286 PolarHBondContact O-N 2.89Å; L286-S288 PolarHBondContact O-N 2.89Å; L286-C289 PolarHBondContact O-N 3.16Å; L286-Q290 WeakPolarHBondContact O-CB 3.46Å; L286-Q290 PolarHBondContact O-N 3.31Å
287P93.4Very high92.2Very high83 Ų8396.7 Ų96.754%0.53951%0.513SS..Hα-helixtrans-58.8-36.4174.7-25.535.3000112.9V283 D284 Q290 L291V283-P287 WeakPolarHBondContact O-CD 3.42Å; D284-P287 WeakPolarHBondContact O-CD 3.15Å; P287-Q290 PolarHBondContact O-N 3.04Å; P287-L291 WeakPolarHBondContact O-CB 3.45Å; P287-L291 PolarHBondContact O-N 2.77Å
288S91.9Very high92.4Very high80 Ų8097.8 Ų97.856%0.55952%0.516SS*.Hα-helixtrans-65.2-47.7175.5-169.50000110.9C285 L286 Q290 L291 E292C285-S288 WeakPolarHBondContact O-CB 3.44Å; C285-S288 PolarHBondContact O-N 2.89Å; C285-S288 VanDerWaalsContact O-N 3.12Å; L286-S288 PolarHBondContact O-N 2.89Å; S288-Q290 VanDerWaalsContact C-N 3.31Å; S288-Q290 PolarHBondContact O-N 2.93Å; S288-L291 PolarHBondContact O-N 3.01Å; S288-E292 WeakPolarHBondContact O-CB 3.29Å; S288-E292 PolarHBondContact O-N 3.39Å
289C91.7Very high92.7Very high61 Ų6199.2 Ų99.241%0.41252%0.518SS..Hα-helixtrans-60.6-39174.8-65.10000112.3C285 L286 E292 V293C285-C289 PolarHBondContact O-N 3.3Å; C285-C289 VanDerWaalsContact O-N 3.13Å; L286-C289 PolarHBondContact O-N 3.16Å; C289-E292 PolarHBondContact O-N 2.93Å; C289-V293 WeakPolarHBondContact O-CG2 3.24Å; C289-V293 PolarHBondContact O-N 3.47Å
290Q92.9Very high93Very high126 Ų12697.3 Ų97.359%0.58952%0.518SS*.Hα-helixtrans-65-42.4177.2-178175.9-13.400111.7L286 P287 S288 E292 V293 Q294L286-Q290 WeakPolarHBondContact O-CB 3.46Å; L286-Q290 PolarHBondContact O-N 3.31Å; P287-Q290 PolarHBondContact O-N 3.04Å; S288-Q290 VanDerWaalsContact C-N 3.31Å; S288-Q290 PolarHBondContact O-N 2.93Å; Q290-E292 VanDerWaalsContact C-N 3.33Å; Q290-V293 PolarHBondContact O-N 3.36Å; Q290-Q294 WeakPolarHBondContact O-CG 3.38Å; Q290-Q294 PolarHBondContact O-N 2.89Å
291L94.4Very high93.2Very high102 Ų102101.2 Ų101.253%0.53453%0.529SS..Hα-helixtrans-63-41.8175.3-169.871.5000110.9P287 S288 Q294 L295P287-L291 WeakPolarHBondContact O-CB 3.45Å; P287-L291 PolarHBondContact O-N 2.77Å; S288-L291 PolarHBondContact O-N 3.01Å; L291-Q294 PolarHBondContact O-N 3.24Å; L291-L295 WeakPolarHBondContact O-CG 3.45Å; L291-L295 PolarHBondContact O-N 2.79Å
292E94Very high93.5Very high95 Ų9599.3 Ų99.344%0.44452%0.519SS..Hα-helixtrans-62.6-43.3176.8-171.3175.6-160.700112.2S288 C289 Q290 Q294 L295 Y296S288-E292 WeakPolarHBondContact O-CB 3.29Å; S288-E292 PolarHBondContact O-N 3.39Å; C289-E292 PolarHBondContact O-N 2.93Å; Q290-E292 VanDerWaalsContact C-N 3.33Å; E292-Q294 VanDerWaalsContact C-N 3.35Å; E292-Q294 PolarHBondContact O-N 2.94Å; E292-L295 WeakPolarHBondContact O-CB 3.41Å; E292-L295 PolarHBondContact O-N 2.92Å; E292-Y296 HydrophobicContact CG-CD2 3.87Å; E292-Y296 HydrophobicContact CG-CE2 3.5Å; E292-Y296 WeakPolarHBondContact O-CD2 3.35Å; E292-Y296 PolarHBondContact O-N 3.32Å
293V94.2Very high93.8Very high81 Ų81101.4 Ų101.449%0.49153%0.525SS..Hα-helixtrans-61.5-41.8174169.90000111.6C289 Q290 L295 Y296 Q297C289-V293 WeakPolarHBondContact O-CG2 3.24Å; C289-V293 PolarHBondContact O-N 3.47Å; Q290-V293 PolarHBondContact O-N 3.36Å; V293-L295 VanDerWaalsContact C-N 3.34Å; V293-Y296 PolarHBondContact O-N 3.24Å; V293-Q297 WeakPolarHBondContact O-CG 3.31Å; V293-Q297 PolarHBondContact O-N 3.45Å
294Q95.4Very high94Very high97 Ų9799 Ų9945%0.45351%0.512SS..Hα-helixtrans-64.2-38.9175.8-73.5178.2-800112.1Q290 L291 E292 Q297 K298Q290-Q294 WeakPolarHBondContact O-CG 3.38Å; Q290-Q294 PolarHBondContact O-N 2.89Å; L291-Q294 PolarHBondContact O-N 3.24Å; E292-Q294 VanDerWaalsContact C-N 3.35Å; E292-Q294 PolarHBondContact O-N 2.94Å; Q294-Q297 PolarHBondContact O-N 3.03Å; Q294-K298 PolarHBondContact O-N 3.4Å
295L95.6Very high94.3Very high111 Ų11195.9 Ų95.958%0.58150%0.495SS*.Hα-helixtrans-63.3-42.7173.7-71.3171.8000111.5L291 E292 V293 K298 K299L291-L295 WeakPolarHBondContact O-CG 3.45Å; L291-L295 PolarHBondContact O-N 2.79Å; E292-L295 WeakPolarHBondContact O-CB 3.41Å; E292-L295 PolarHBondContact O-N 2.92Å; V293-L295 VanDerWaalsContact C-N 3.34Å; L295-K298 PolarHBondContact O-N 2.9Å; L295-K299 WeakPolarHBondContact O-CB 3.28Å; L295-K299 PolarHBondContact O-N 3.38Å
296Y95.1Very high94.6Very high128 Ų12896.7 Ų96.750%0.50250%0.495SS..Hα-helixtrans-65-40.5174.9-77.7-57.8000112.5E292 V293 K299 I300E292-Y296 HydrophobicContact CG-CD2 3.87Å; E292-Y296 HydrophobicContact CG-CE2 3.5Å; E292-Y296 WeakPolarHBondContact O-CD2 3.35Å; E292-Y296 PolarHBondContact O-N 3.32Å; V293-Y296 PolarHBondContact O-N 3.24Å; Y296-K299 PolarHBondContact O-N 3.45Å; Y296-I300 VanDerWaalsContact O-CG1 3.29Å; Y296-I300 WeakPolarHBondContact O-CG1 3.45Å; Y296-I300 PolarHBondContact O-N 3.34Å
297Q94.9Very high94.8Very high123 Ų123100.5 Ų100.558%0.57550%0.503SS*.Hα-helixtrans-60.5-45.9174.3-77.3177.2-19.700111.8V293 Q294 K299 I300 Q301V293-Q297 WeakPolarHBondContact O-CG 3.31Å; V293-Q297 PolarHBondContact O-N 3.45Å; Q294-Q297 PolarHBondContact O-N 3.03Å; Q297-K299 VanDerWaalsContact C-N 3.33Å; Q297-K299 PolarHBondContact O-N 2.7Å; Q297-I300 PolarHBondContact O-N 3.33Å; Q297-Q301 PolarHBondContact O-N 3.5Å
298K95.7Very high94.9Very high133 Ų133102.4 Ų102.458%0.57850%0.504SS*.Hα-helixtrans-59.8-44.5175-174.5177.4178.4179.70111.4Q294 L295 I300 Q301 D302Q294-K298 PolarHBondContact O-N 3.4Å; L295-K298 PolarHBondContact O-N 2.9Å; K298-I300 VanDerWaalsContact C-N 3.33Å; K298-I300 PolarHBondContact O-N 2.9Å; K298-Q301 PolarHBondContact O-N 3.16Å; K298-D302 VanDerWaalsContact O-CG 3.27Å; K298-D302 PolarHBondContact O-N 3.18Å
299K96.2Very high95.1Very high129 Ų129104.6 Ų104.656%0.56150%0.504SS*.Hα-helixtrans-62.3-38.3177.7-168.7173.7-176.5178.70112.5L295 Y296 Q297 L303L295-K299 WeakPolarHBondContact O-CB 3.28Å; L295-K299 PolarHBondContact O-N 3.38Å; Y296-K299 PolarHBondContact O-N 3.45Å; Q297-K299 VanDerWaalsContact C-N 3.33Å; Q297-K299 PolarHBondContact O-N 2.7Å; K299-L303 HydrophobicContact CG-CD1 4.44Å; K299-L303 WeakPolarHBondContact O-CB 3.45Å; K299-L303 VanDerWaalsContact O-CG 3.23Å; K299-L303 WeakPolarHBondContact O-CG 3.31Å; K299-L303 PolarHBondContact O-N 3.38Å
300I95.9Very high95.4Very high118 Ų118107.2 Ų107.261%0.60551%0.513SS*.Hα-helixtrans-65.5-42.7175.2-70.6165.4000110.7Y296 Q297 K298 L303 S304Y296-I300 VanDerWaalsContact O-CG1 3.29Å; Y296-I300 WeakPolarHBondContact O-CG1 3.45Å; Y296-I300 PolarHBondContact O-N 3.34Å; Q297-I300 PolarHBondContact O-N 3.33Å; K298-I300 VanDerWaalsContact C-N 3.33Å; K298-I300 PolarHBondContact O-N 2.9Å; I300-L303 PolarHBondContact O-N 2.92Å; I300-S304 PolarHBondContact O-N 3.41Å
301Q95.8Very high95.5Very high106 Ų106104 Ų10450%0.49551%0.508SS..Hα-helixtrans-62.1-48.6175.8-173.662.248.500111.4Q297 K298 L303 S304 D305Q297-Q301 PolarHBondContact O-N 3.5Å; K298-Q301 PolarHBondContact O-N 3.16Å; Q301-L303 VanDerWaalsContact C-N 3.25Å; Q301-L303 PolarHBondContact O-N 2.86Å; Q301-S304 WeakPolarHBondContact O-CB 3.3Å; Q301-S304 PolarHBondContact O-N 3.38Å; Q301-D305 PolarHBondContact NE2-OD1 2.94Å; Q301-D305 PolarHBondContact O-N 3.42Å
302D95.8Very high95.6Very high75 Ų75102.9 Ų102.940%0.40151%0.509SS..Hα-helixtrans-58.4-39177.7-66.9-24.1000111.4K298 N306K298-D302 VanDerWaalsContact O-CG 3.27Å; K298-D302 PolarHBondContact O-N 3.18Å; D302-N306 VanDerWaalsContact O-CB 3.27Å; D302-N306 WeakPolarHBondContact O-CB 3.23Å; D302-N306 PolarHBondContact O-N 3.4Å; D302-N306 PolarHBondContact O-ND2 3.4Å; D302-N306 VanDerWaalsContact O-ND2 3.08Å
303L95.6Very high95.7Very high106 Ų106103.2 Ų103.256%0.55551%0.513SS*.Hα-helixtrans-66.8-38.3175-75.1171.4000112.6K299 I300 Q301 R307K299-L303 HydrophobicContact CG-CD1 4.44Å; K299-L303 WeakPolarHBondContact O-CB 3.45Å; K299-L303 VanDerWaalsContact O-CG 3.23Å; K299-L303 WeakPolarHBondContact O-CG 3.31Å; K299-L303 PolarHBondContact O-N 3.38Å; I300-L303 PolarHBondContact O-N 2.92Å; Q301-L303 VanDerWaalsContact C-N 3.25Å; Q301-L303 PolarHBondContact O-N 2.86Å; L303-R307 WeakPolarHBondContact O-CB 3.27Å; L303-R307 PolarHBondContact O-N 2.96Å
304S95.4Very high95.8Very high36 Ų36104.6 Ų104.625%0.25252%0.517SS..Hα-helixtrans-64.1-49.2175.7-168.20000111.3I300 Q301 N306 R307 E308I300-S304 PolarHBondContact O-N 3.41Å; Q301-S304 WeakPolarHBondContact O-CB 3.3Å; Q301-S304 PolarHBondContact O-N 3.38Å; S304-N306 VanDerWaalsContact C-N 3.3Å; S304-N306 PolarHBondContact O-N 2.89Å; S304-R307 WeakPolarHBondContact O-CB 3.5Å; S304-R307 PolarHBondContact O-N 3.18Å; S304-R307 VanDerWaalsContact O-N 3.11Å; S304-E308 PolarHBondContact O-N 3.14Å
305D95.4Very high95.9Very high62 Ų62106.9 Ų106.933%0.33253%0.525SS..Hα-helixtrans-61.9-40178.8-64.8-3.4000111.2Q301 E308 K309Q301-D305 PolarHBondContact NE2-OD1 2.94Å; Q301-D305 PolarHBondContact O-N 3.42Å; D305-E308 PolarHBondContact O-N 2.92Å; D305-K309 WeakPolarHBondContact O-CG 3.37Å; D305-K309 PolarHBondContact O-N 3.11Å
306N96Very high96Very high80 Ų80107.1 Ų107.143%0.42852%0.524SS..Hα-helixtrans-66.2-37.1175.4-74.4-24.8000112.2D302 S304 K309 L310D302-N306 VanDerWaalsContact O-CB 3.27Å; D302-N306 WeakPolarHBondContact O-CB 3.23Å; D302-N306 PolarHBondContact O-N 3.4Å; D302-N306 PolarHBondContact O-ND2 3.4Å; D302-N306 VanDerWaalsContact O-ND2 3.08Å; S304-N306 VanDerWaalsContact C-N 3.3Å; S304-N306 PolarHBondContact O-N 2.89Å; N306-K309 PolarHBondContact O-N 2.94Å; N306-L310 WeakPolarHBondContact O-CB 3.36Å; N306-L310 VanDerWaalsContact O-CG 3.32Å; N306-L310 WeakPolarHBondContact O-CG 3.5Å; N306-L310 PolarHBondContact O-N 3.43Å
307R96.5Very high96Very high178 Ų178103.3 Ų103.367%0.67252%0.516SS*.Hα-helixtrans-63.5-41.9175.5-172.2-178.169.9175.11.5111.4L303 S304 L310 A311L303-R307 WeakPolarHBondContact O-CB 3.27Å; L303-R307 PolarHBondContact O-N 2.96Å; S304-R307 WeakPolarHBondContact O-CB 3.5Å; S304-R307 PolarHBondContact O-N 3.18Å; S304-R307 VanDerWaalsContact O-N 3.11Å; R307-L310 PolarHBondContact O-N 3.22Å; R307-A311 WeakPolarHBondContact O-CB 3.32Å; R307-A311 PolarHBondContact O-N 2.86Å
308E95.2Very high96.1Very high123 Ų123101.6 Ų101.658%0.57551%0.51SS*.Hα-helixtrans-64.7-43.2176.3-71.8179.5-169.700112S304 D305 L310 A311 S312S304-E308 PolarHBondContact O-N 3.14Å; D305-E308 PolarHBondContact O-N 2.92Å; E308-L310 PolarHBondContact O-N 3.45Å; E308-A311 PolarHBondContact O-N 3.1Å; E308-S312 PolarHBondContact O-N 3.28Å
309K96.3Very high96.1Very high126 Ų12699.9 Ų99.955%0.54851%0.507SS..Hα-helixtrans-60-45.9173.6-71.3171.1-173.4168.80111.9D305 N306 A311 S312 I313D305-K309 WeakPolarHBondContact O-CG 3.37Å; D305-K309 PolarHBondContact O-N 3.11Å; N306-K309 PolarHBondContact O-N 2.94Å; K309-A311 VanDerWaalsContact C-N 3.33Å; K309-A311 PolarHBondContact O-N 3.25Å; K309-S312 WeakPolarHBondContact O-CB 3.33Å; K309-S312 PolarHBondContact O-N 3.33Å; K309-I313 VanDerWaalsContact O-CG1 3.32Å; K309-I313 WeakPolarHBondContact O-CG1 3.26Å; K309-I313 PolarHBondContact O-N 2.93Å
310L96.4Very high96.1Very high116 Ų11698.3 Ų98.361%0.60750%0.504SS*.Hα-helixtrans-62.4-39.6177.3-76.2171.1000112N306 R307 E308 S312 I313 L314N306-L310 WeakPolarHBondContact O-CB 3.36Å; N306-L310 VanDerWaalsContact O-CG 3.32Å; N306-L310 WeakPolarHBondContact O-CG 3.5Å; N306-L310 PolarHBondContact O-N 3.43Å; R307-L310 PolarHBondContact O-N 3.22Å; E308-L310 PolarHBondContact O-N 3.45Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 3.48Å; L310-I313 PolarHBondContact O-N 3.14Å; L310-L314 VanDerWaalsContact O-CB 3.31Å; L310-L314 WeakPolarHBondContact O-CB 3.36Å; L310-L314 PolarHBondContact O-N 2.94Å
311A96.2Very high96.1Very high59 Ų5997.9 Ų97.949%0.48850%0.5SS..Hα-helixtrans-63.6-39.7175.200000112R307 E308 K309 K315R307-A311 WeakPolarHBondContact O-CB 3.32Å; R307-A311 PolarHBondContact O-N 2.86Å; E308-A311 PolarHBondContact O-N 3.1Å; K309-A311 VanDerWaalsContact C-N 3.33Å; K309-A311 PolarHBondContact O-N 3.25Å; A311-K315 PolarHBondContact O-N 2.87Å; A311-K315 VanDerWaalsContact O-N 3.08Å
312S95.7Very high96.1Very high78 Ų7897.7 Ų97.755%0.54550%0.502SS..Hα-helixtrans-64.8-45174.3-170.80000112.1E308 K309 L310 K315 E316E308-S312 PolarHBondContact O-N 3.28Å; K309-S312 WeakPolarHBondContact O-CB 3.33Å; K309-S312 PolarHBondContact O-N 3.33Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 3.48Å; S312-K315 PolarHBondContact O-N 3.14Å; S312-E316 PolarHBondContact O-N 3.11Å
313I96.6Very high96.2Very high102 Ų10299 Ų9952%0.52351%0.506SS..Hα-helixtrans-64.4-41.3178.2-68.3165.5000110.7K309 L310 K315 E316 S317K309-I313 VanDerWaalsContact O-CG1 3.32Å; K309-I313 WeakPolarHBondContact O-CG1 3.26Å; K309-I313 PolarHBondContact O-N 2.93Å; L310-I313 PolarHBondContact O-N 3.14Å; I313-K315 VanDerWaalsContact C-N 3.34Å; I313-K315 PolarHBondContact O-N 3.08Å; I313-E316 PolarHBondContact O-N 3.41Å; I313-S317 WeakPolarHBondContact O-CB 3.23Å; I313-S317 PolarHBondContact O-N 3.42Å
314L96.7Very high96.2Very high111 Ų11198.6 Ų98.658%0.58150%0.503SS*.Hα-helixtrans-61.3-43.8176.9-174.571.5000111.1L310 E316 S317 L318L310-L314 VanDerWaalsContact O-CB 3.31Å; L310-L314 WeakPolarHBondContact O-CB 3.36Å; L310-L314 PolarHBondContact O-N 2.94Å; L314-E316 VanDerWaalsContact C-N 3.33Å; L314-E316 PolarHBondContact O-N 2.88Å; L314-S317 WeakPolarHBondContact O-CB 3.32Å; L314-S317 PolarHBondContact O-N 3.15Å; L314-L318 WeakPolarHBondContact O-CG 3.36Å; L314-L318 PolarHBondContact O-N 3.24Å
315K96.6Very high96.2Very high145 Ų145103.3 Ų103.363%0.6352%0.521SS*.Hα-helixtrans-62.9-39.9176.1-174.9176.7179.91790112.1A311 S312 I313 N319A311-K315 PolarHBondContact O-N 2.87Å; A311-K315 VanDerWaalsContact O-N 3.08Å; S312-K315 PolarHBondContact O-N 3.14Å; I313-K315 VanDerWaalsContact C-N 3.34Å; I313-K315 PolarHBondContact O-N 3.08Å; K315-N319 VanDerWaalsContact O-CG 3.31Å; K315-N319 PolarHBondContact O-N 3.41Å; K315-N319 VanDerWaalsContact O-N 3.12Å
316E96.9Very high96.3Very high116 Ų116103.1 Ų103.154%0.54253%0.525SS..Hα-helixtrans-66.7-41.3175.2-171.6176.4-177.700111.8S312 I313 L314 L318 N319 L320S312-E316 PolarHBondContact O-N 3.11Å; I313-E316 PolarHBondContact O-N 3.41Å; L314-E316 VanDerWaalsContact C-N 3.33Å; L314-E316 PolarHBondContact O-N 2.88Å; E316-L318 PolarHBondContact O-N 3.02Å; E316-N319 PolarHBondContact O-N 3.45Å; E316-L320 HydrophobicContact CG-CD1 4.24Å; E316-L320 WeakPolarHBondContact O-CB 3.43Å; E316-L320 WeakPolarHBondContact O-CG 3.28Å; E316-L320 PolarHBondContact O-N 3.27Å
317S95.2Very high96.4Very high48 Ų48103 Ų10334%0.33652%0.524SS..Hα-helixtrans-59.1-47.3175.2-164.20000111.5I313 L314 N319 L320 E321I313-S317 WeakPolarHBondContact O-CB 3.23Å; I313-S317 PolarHBondContact O-N 3.42Å; L314-S317 WeakPolarHBondContact O-CB 3.32Å; L314-S317 PolarHBondContact O-N 3.15Å; S317-N319 PolarHBondContact O-N 2.98Å; S317-L320 PolarHBondContact O-N 2.98Å; S317-E321 WeakPolarHBondContact O-CB 3.44Å; S317-E321 WeakPolarHBondContact O-CG 3.28Å; S317-E321 PolarHBondContact O-N 2.97Å; S317-E321 PolarHBondContact OG-OE1 3.37Å
318L97.1Very high96.4Very high87 Ų8799.4 Ų99.446%0.45552%0.515SS..Hα-helixtrans-61.7-44.3177.7-70.6171.4000111.8L314 E316 L320 E321 D322L314-L318 WeakPolarHBondContact O-CG 3.36Å; L314-L318 PolarHBondContact O-N 3.24Å; E316-L318 PolarHBondContact O-N 3.02Å; L318-L320 VanDerWaalsContact C-N 3.3Å; L318-L320 PolarHBondContact O-N 2.88Å; L318-E321 PolarHBondContact O-N 3.32Å; L318-D322 PolarHBondContact O-N 3.22Å
319N96.6Very high96.4Very high96 Ų9695.9 Ų95.951%0.51350%0.504SS..Hα-helixtrans-62.5-37.1175.8-72.9-14.8000112.6K315 E316 S317 Q323K315-N319 VanDerWaalsContact O-CG 3.31Å; K315-N319 PolarHBondContact O-N 3.41Å; K315-N319 VanDerWaalsContact O-N 3.12Å; E316-N319 PolarHBondContact O-N 3.45Å; S317-N319 PolarHBondContact O-N 2.98Å; N319-Q323 WeakPolarHBondContact O-CB 3.37Å; N319-Q323 PolarHBondContact O-N 3.07Å; N319-Q323 VanDerWaalsContact O-N 3.08Å
320L96.7Very high96.4Very high97 Ų9795 Ų9551%0.50850%0.502SS..Hα-helixtrans-70.9-37.9176.6-73.1171.9000111.6E316 S317 L318 Q323 I324E316-L320 HydrophobicContact CG-CD1 4.24Å; E316-L320 WeakPolarHBondContact O-CB 3.43Å; E316-L320 WeakPolarHBondContact O-CG 3.28Å; E316-L320 PolarHBondContact O-N 3.27Å; S317-L320 PolarHBondContact O-N 2.98Å; L318-L320 VanDerWaalsContact C-N 3.3Å; L318-L320 PolarHBondContact O-N 2.88Å; L320-Q323 PolarHBondContact O-N 3.16Å; L320-I324 WeakPolarHBondContact O-CB 3.31Å; L320-I324 WeakPolarHBondContact O-CD1 3.09Å; L320-I324 WeakPolarHBondContact O-CG1 3.45Å; L320-I324 PolarHBondContact O-N 3.49Å
321E95.9Very high96.4Very high108 Ų10895.2 Ų95.251%0.50550%0.503SS..Hα-helixtrans-61-47.3173.4-76.6165.9-153.800111S317 L318 Q323 I324 E325S317-E321 WeakPolarHBondContact O-CB 3.44Å; S317-E321 WeakPolarHBondContact O-CG 3.28Å; S317-E321 PolarHBondContact O-N 2.97Å; S317-E321 PolarHBondContact OG-OE1 3.37Å; L318-E321 PolarHBondContact O-N 3.32Å; E321-Q323 VanDerWaalsContact C-N 3.31Å; E321-Q323 PolarHBondContact O-N 3.31Å; E321-I324 PolarHBondContact O-N 3.15Å; E321-E325 PolarHBondContact O-N 3.18Å
322D95.7Very high96.4Very high103 Ų10398.9 Ų98.955%0.55151%0.508SS*.Hα-helixtrans-59.6-41.2175.3-70.9-18.4000111.8L318 E325 S326L318-D322 PolarHBondContact O-N 3.22Å; D322-E325 PolarHBondContact O-N 2.92Å; D322-S326 WeakPolarHBondContact O-CB 3.32Å; D322-S326 PolarHBondContact O-N 3.13Å
323Q96.5Very high96.4Very high102 Ų102101.5 Ų101.548%0.47751%0.51SS..Hα-helixtrans-67-41.9177.2-172.664.651.600111.7N319 L320 E321 E325 S326 D327N319-Q323 WeakPolarHBondContact O-CB 3.37Å; N319-Q323 PolarHBondContact O-N 3.07Å; N319-Q323 VanDerWaalsContact O-N 3.08Å; L320-Q323 PolarHBondContact O-N 3.16Å; E321-Q323 VanDerWaalsContact C-N 3.31Å; E321-Q323 PolarHBondContact O-N 3.31Å; Q323-E325 VanDerWaalsContact C-N 3.34Å; Q323-S326 PolarHBondContact O-N 3.48Å; Q323-D327 PolarHBondContact NE2-OD1 3.28Å; Q323-D327 WeakPolarHBondContact O-CB 3.36Å; Q323-D327 PolarHBondContact O-N 2.6Å
324I96.6Very high96.3Very high97 Ų97101 Ų10150%0.49751%0.507SS..Hα-helixtrans-61.8-44.3176-72.4164.9000110.1L320 E321 S326 D327 E328L320-I324 WeakPolarHBondContact O-CB 3.31Å; L320-I324 WeakPolarHBondContact O-CD1 3.09Å; L320-I324 WeakPolarHBondContact O-CG1 3.45Å; L320-I324 PolarHBondContact O-N 3.49Å; E321-I324 PolarHBondContact O-N 3.15Å; I324-S326 PolarHBondContact O-N 3.44Å; I324-D327 PolarHBondContact O-N 3.02Å; I324-E328 HydrophobicContact CG2-CG 4.37Å; I324-E328 WeakPolarHBondContact O-CB 3.43Å; I324-E328 WeakPolarHBondContact O-CG 3.41Å; I324-E328 PolarHBondContact O-N 3.46Å
325E96.2Very high96.3Very high135 Ų135100.7 Ų100.763%0.63150%0.501SS*.Hα-helixtrans-61.9-44.1177.2-174.8175.6-176.900111.7E321 D322 Q323 E328 S329E321-E325 PolarHBondContact O-N 3.18Å; D322-E325 PolarHBondContact O-N 2.92Å; Q323-E325 VanDerWaalsContact C-N 3.34Å; E325-E328 PolarHBondContact O-N 3.33Å; E325-S329 WeakPolarHBondContact O-CB 3.38Å; E325-S329 PolarHBondContact O-N 3.27Å
326S96.9Very high96.3Very high59 Ų5998.3 Ų98.341%0.41350%0.499SS..Hα-helixtrans-58.4-50.5174.6177.50000111.6D322 Q323 I324 E328 S329 E330D322-S326 WeakPolarHBondContact O-CB 3.32Å; D322-S326 PolarHBondContact O-N 3.13Å; Q323-S326 PolarHBondContact O-N 3.48Å; I324-S326 PolarHBondContact O-N 3.44Å; S326-E328 PolarHBondContact O-N 3Å; S326-S329 WeakPolarHBondContact O-CB 3.2Å; S326-S329 PolarHBondContact O-N 2.91Å; S326-S329 VanDerWaalsContact O-N 3.15Å; S326-S329 PolarHBondContact O-OG 2.93Å; S326-E330 PolarHBondContact O-N 3.43Å
327D97.2Very high96.2Very high77 Ų7797.6 Ų97.641%0.41250%0.496SS..Hα-helixtrans-65.2-38.1-178.7-70.9-2.8000111.8Q323 I324 S329 E330 L331Q323-D327 PolarHBondContact NE2-OD1 3.28Å; Q323-D327 WeakPolarHBondContact O-CB 3.36Å; Q323-D327 PolarHBondContact O-N 2.6Å; I324-D327 PolarHBondContact O-N 3.02Å; D327-S329 VanDerWaalsContact C-N 3.32Å; D327-S329 PolarHBondContact O-N 3.46Å; D327-E330 PolarHBondContact O-N 3.13Å; D327-L331 VanDerWaalsContact O-CB 3.31Å; D327-L331 WeakPolarHBondContact O-CB 3.48Å; D327-L331 PolarHBondContact O-N 2.9Å
328E97.2Very high96.2Very high102 Ų10298.9 Ų98.948%0.47750%0.496SS..Hα-helixtrans-63.6-38.9173.4-79.7-167.2177.600112I324 E325 S326 E330 L331 K332I324-E328 HydrophobicContact CG2-CG 4.37Å; I324-E328 WeakPolarHBondContact O-CB 3.43Å; I324-E328 WeakPolarHBondContact O-CG 3.41Å; I324-E328 PolarHBondContact O-N 3.46Å; E325-E328 PolarHBondContact O-N 3.33Å; S326-E328 PolarHBondContact O-N 3Å; E328-E330 VanDerWaalsContact C-N 3.34Å; E328-L331 PolarHBondContact O-N 3.13Å; E328-K332 WeakPolarHBondContact O-CB 3.09Å; E328-K332 VanDerWaalsContact O-CG 3.31Å; E328-K332 WeakPolarHBondContact O-CG 3.43Å; E328-K332 PolarHBondContact O-N 3.01Å
329S95.5Very high96.2Very high50 Ų5097.9 Ų97.935%0.3549%0.491SS..Hα-helixtrans-65.1-39.2176.189.40000111.4E325 S326 D327 K333E325-S329 WeakPolarHBondContact O-CB 3.38Å; E325-S329 PolarHBondContact O-N 3.27Å; S326-S329 WeakPolarHBondContact O-CB 3.2Å; S326-S329 PolarHBondContact O-N 2.91Å; S326-S329 VanDerWaalsContact O-N 3.15Å; S326-S329 PolarHBondContact O-OG 2.93Å; D327-S329 VanDerWaalsContact C-N 3.32Å; D327-S329 PolarHBondContact O-N 3.46Å; S329-K333 WeakPolarHBondContact O-CG 3.46Å; S329-K333 PolarHBondContact O-N 3.45Å; S329-K333 VanDerWaalsContact O-N 3.16Å
330E95.8Very high96.1Very high107 Ų10796.1 Ų96.150%0.549%0.487SS..Hα-helixtrans-69.5-43.9176.3-171.3174.7-176.300111.4S326 D327 E328 K332 K333 L334S326-E330 PolarHBondContact O-N 3.43Å; D327-E330 PolarHBondContact O-N 3.13Å; E328-E330 VanDerWaalsContact C-N 3.34Å; E330-K332 VanDerWaalsContact C-N 3.3Å; E330-K332 PolarHBondContact O-N 2.89Å; E330-K333 WeakPolarHBondContact O-CB 3.33Å; E330-K333 PolarHBondContact O-N 3.25Å; E330-K333 VanDerWaalsContact O-N 3.09Å; E330-L334 HydrophobicContact CG-CD1 4.17Å; E330-L334 HydrophobicContact CG-CG 4.44Å; E330-L334 WeakPolarHBondContact O-CG 3.34Å; E330-L334 PolarHBondContact O-N 3.48Å
331L96.4Very high96.1Very high121 Ų12197.3 Ų97.363%0.63449%0.488SS*.Hα-helixtrans-59.5-41.5176.2-174.267.7000111.5D327 E328 L334 K335D327-L331 VanDerWaalsContact O-CB 3.31Å; D327-L331 WeakPolarHBondContact O-CB 3.48Å; D327-L331 PolarHBondContact O-N 2.9Å; E328-L331 PolarHBondContact O-N 3.13Å; L331-L334 PolarHBondContact O-N 3.35Å; L331-K335 VanDerWaalsContact O-CB 3.29Å; L331-K335 WeakPolarHBondContact O-CB 3.29Å; L331-K335 PolarHBondContact O-N 2.92Å
332K96.1Very high96Very high136 Ų13697.1 Ų97.159%0.59149%0.486SS*.Hα-helixtrans-60.9-45.3174-76.1168.6-173.1159.50111.2E328 E330 K335 T336E328-K332 WeakPolarHBondContact O-CB 3.09Å; E328-K332 VanDerWaalsContact O-CG 3.31Å; E328-K332 WeakPolarHBondContact O-CG 3.43Å; E328-K332 PolarHBondContact O-N 3.01Å; E330-K332 VanDerWaalsContact C-N 3.3Å; E330-K332 PolarHBondContact O-N 2.89Å; K332-K335 PolarHBondContact O-N 3.41Å; K332-T336 WeakPolarHBondContact O-CG2 3.48Å; K332-T336 PolarHBondContact O-N 2.98Å; K332-T336 VanDerWaalsContact O-N 3.13Å
333K95.2Very high96Very high133 Ų133101.1 Ų101.158%0.57849%0.493SS*.Hα-helixtrans-60.2-52.6176.1-70.6169.1-173.71670111.2S329 E330 K335 T336 E337S329-K333 WeakPolarHBondContact O-CG 3.46Å; S329-K333 PolarHBondContact O-N 3.45Å; S329-K333 VanDerWaalsContact O-N 3.16Å; E330-K333 WeakPolarHBondContact O-CB 3.33Å; E330-K333 PolarHBondContact O-N 3.25Å; E330-K333 VanDerWaalsContact O-N 3.09Å; K333-K335 VanDerWaalsContact C-N 3.25Å; K333-K335 PolarHBondContact O-N 2.94Å; K333-T336 PolarHBondContact O-N 2.94Å; K333-T336 PolarHBondContact O-OG1 3.23Å; K333-E337 PolarHBondContact O-N 3.01Å; K333-E337 VanDerWaalsContact O-N 3.08Å
334L96.1Very high96Very high90 Ų90100.7 Ų100.747%0.47149%0.493SS..Hα-helixtrans-58.4-36.9178-70.9173.6000112.3E330 L331 T336 E337 E338E330-L334 HydrophobicContact CG-CD1 4.17Å; E330-L334 HydrophobicContact CG-CG 4.44Å; E330-L334 WeakPolarHBondContact O-CG 3.34Å; E330-L334 PolarHBondContact O-N 3.48Å; L331-L334 PolarHBondContact O-N 3.35Å; L334-T336 VanDerWaalsContact C-N 3.34Å; L334-T336 PolarHBondContact O-N 2.88Å; L334-E337 PolarHBondContact O-N 2.82Å; L334-E338 WeakPolarHBondContact O-CB 3.22Å; L334-E338 PolarHBondContact O-N 2.95Å
335K96.6Very high96Very high106 Ų106101.4 Ų101.446%0.46150%0.496SS..Hα-helixtrans-64.8-38.4176.2-169.459.7173.4-176.90112.6L331 K332 K333 E338 N339L331-K335 VanDerWaalsContact O-CB 3.29Å; L331-K335 WeakPolarHBondContact O-CB 3.29Å; L331-K335 PolarHBondContact O-N 2.92Å; K332-K335 PolarHBondContact O-N 3.41Å; K333-K335 VanDerWaalsContact C-N 3.25Å; K333-K335 PolarHBondContact O-N 2.94Å; K335-E338 VanDerWaalsContact CD-OE2 3.28Å; K335-E338 WeakPolarHBondContact CD-OE2 3.25Å; K335-E338 WeakPolarHBondContact CE-OE2 3.44Å; K335-E338 IonicContact NZ-OE2 2.97Å; K335-E338 PolarHBondContact NZ-OE2 3.44Å; K335-N339 PolarHBondContact O-N 2.86Å; K335-N339 VanDerWaalsContact O-N 3.13Å; K335-N339 PolarHBondContact O-ND2 2.73Å
336T95.4Very high96Very high95 Ų9599.6 Ų99.658%0.58349%0.49SS*.Hα-helixtrans-67.1-38.9175640000111.9K332 K333 L334 N339 S340K332-T336 WeakPolarHBondContact O-CG2 3.48Å; K332-T336 PolarHBondContact O-N 2.98Å; K332-T336 VanDerWaalsContact O-N 3.13Å; K333-T336 PolarHBondContact O-N 2.94Å; K333-T336 PolarHBondContact O-OG1 3.23Å; L334-T336 VanDerWaalsContact C-N 3.34Å; L334-T336 PolarHBondContact O-N 2.88Å; T336-N339 PolarHBondContact O-N 3.45Å; T336-S340 PolarHBondContact O-N 3.08Å
337E94.6Very high96Very high101 Ų10199.8 Ų99.847%0.47249%0.488SS..Hα-helixtrans-65.2-46.3174.8-71-174.9-179.800111.9K333 L334 N339 S340 F341K333-E337 PolarHBondContact O-N 3.01Å; K333-E337 VanDerWaalsContact O-N 3.08Å; L334-E337 PolarHBondContact O-N 2.82Å; E337-N339 VanDerWaalsContact C-N 3.28Å; E337-N339 PolarHBondContact O-N 3.11Å; E337-S340 WeakPolarHBondContact O-CA 3.34Å; E337-S340 WeakPolarHBondContact O-CB 3.24Å; E337-S340 PolarHBondContact O-N 3.02Å; E337-S340 PolarHBondContact O-OG 3.21Å; E337-F341 HydrophobicContact CB-CE2 4.31Å; E337-F341 VanDerWaalsContact O-CD2 3.26Å; E337-F341 WeakPolarHBondContact O-CD2 3.46Å; E337-F341 PolarHBondContact O-N 2.94Å
338E95.9Very high95.9Very high74 Ų74102 Ų10235%0.34649%0.494SS..Hα-helixtrans-53.7-46.3175.1-170.9-158.4175.500111.1L334 K335 S340 F341 K342L334-E338 WeakPolarHBondContact O-CB 3.22Å; L334-E338 PolarHBondContact O-N 2.95Å; K335-E338 VanDerWaalsContact CD-OE2 3.28Å; K335-E338 WeakPolarHBondContact CD-OE2 3.25Å; K335-E338 WeakPolarHBondContact CE-OE2 3.44Å; K335-E338 IonicContact NZ-OE2 2.97Å; K335-E338 PolarHBondContact NZ-OE2 3.44Å; E338-S340 VanDerWaalsContact C-N 3.32Å; E338-S340 PolarHBondContact O-N 3.35Å; E338-F341 PolarHBondContact O-N 2.91Å; E338-K342 WeakPolarHBondContact O-CG 3.4Å; E338-K342 PolarHBondContact O-N 3.32Å; E338-K342 WeakPolarHBondContact OE1-CE 3.38Å; E338-K342 IonicContact OE1-NZ 3.6Å; E338-K342 PolarHBondContact OE1-NZ 3.42Å; E338-K342 IonicContact OE2-NZ 2.64Å
339N96.3Very high95.9Very high66 Ų66104 Ų10435%0.35350%0.501SS..Hα-helixtrans-64.8-36.6177.4-74.7-31.1000112.2K335 T336 E337 K342 R343K335-N339 PolarHBondContact O-N 2.86Å; K335-N339 VanDerWaalsContact O-N 3.13Å; K335-N339 PolarHBondContact O-ND2 2.73Å; T336-N339 PolarHBondContact O-N 3.45Å; E337-N339 VanDerWaalsContact C-N 3.28Å; E337-N339 PolarHBondContact O-N 3.11Å; N339-K342 PolarHBondContact O-N 3.11Å; N339-R343 WeakPolarHBondContact O-CG 3.37Å; N339-R343 PolarHBondContact O-N 3Å; N339-R343 VanDerWaalsContact O-N 3.08Å
340S95.5Very high95.9Very high60 Ų60107.2 Ų107.242%0.4251%0.511SS..Hα-helixtrans-65.1-42.8175.283.50000111.8T336 E337 E338 R343 L344T336-S340 PolarHBondContact O-N 3.08Å; E337-S340 WeakPolarHBondContact O-CA 3.34Å; E337-S340 WeakPolarHBondContact O-CB 3.24Å; E337-S340 PolarHBondContact O-N 3.02Å; E337-S340 PolarHBondContact O-OG 3.21Å; E338-S340 VanDerWaalsContact C-N 3.32Å; E338-S340 PolarHBondContact O-N 3.35Å; S340-R343 PolarHBondContact O-N 3.35Å; S340-L344 PolarHBondContact O-N 2.92Å
341F96Very high95.9Very high122 Ų122107.6 Ų107.654%0.53551%0.511SS..Hα-helixtrans-67.8-39176.6-71.1-52000112.1E337 E338 R343 L344 M345E337-F341 HydrophobicContact CB-CE2 4.31Å; E337-F341 VanDerWaalsContact O-CD2 3.26Å; E337-F341 WeakPolarHBondContact O-CD2 3.46Å; E337-F341 PolarHBondContact O-N 2.94Å; E338-F341 PolarHBondContact O-N 2.91Å; F341-R343 PolarHBondContact O-N 2.71Å; F341-L344 PolarHBondContact O-N 2.98Å; F341-M345 WeakPolarHBondContact O-CB 3.2Å; F341-M345 VanDerWaalsContact O-CG 3.31Å; F341-M345 WeakPolarHBondContact O-CG 3.34Å; F341-M345 PolarHBondContact O-N 3.13Å
342K95.4Very high95.8Very high103 Ų103106.6 Ų106.645%0.44851%0.505SS..Hα-helixtrans-59.1-45173.1-77.6178.3-177.6170.40112E338 N339 M345 I346E338-K342 WeakPolarHBondContact O-CG 3.4Å; E338-K342 PolarHBondContact O-N 3.32Å; E338-K342 WeakPolarHBondContact OE1-CE 3.38Å; E338-K342 IonicContact OE1-NZ 3.6Å; E338-K342 PolarHBondContact OE1-NZ 3.42Å; E338-K342 IonicContact OE2-NZ 2.64Å; N339-K342 PolarHBondContact O-N 3.11Å; K342-M345 PolarHBondContact O-N 2.94Å; K342-I346 WeakPolarHBondContact O-CG1 3.43Å; K342-I346 PolarHBondContact O-N 3.41Å; K342-I346 VanDerWaalsContact O-N 3.11Å
343R95Very high95.9Very high188 Ų188102.6 Ų102.671%0.70950%0.498SS*.Hα-helixtrans-62.6-45.3175.6-70.9175.4-172.8178.13111.5N339 S340 F341 M345 I346 V347N339-R343 WeakPolarHBondContact O-CG 3.37Å; N339-R343 PolarHBondContact O-N 3Å; N339-R343 VanDerWaalsContact O-N 3.08Å; S340-R343 PolarHBondContact O-N 3.35Å; F341-R343 PolarHBondContact O-N 2.71Å; R343-M345 VanDerWaalsContact C-N 3.32Å; R343-M345 PolarHBondContact O-N 3.11Å; R343-I346 PolarHBondContact O-N 3.26Å; R343-V347 WeakPolarHBondContact O-CG2 3.4Å; R343-V347 PolarHBondContact O-N 3.42Å; R343-V347 VanDerWaalsContact O-N 3.12Å
344L95.8Very high95.9Very high92 Ų9299.8 Ų99.848%0.48249%0.492SS..Hα-helixtrans-60.8-41.9177.2-177.161.8000111.9S340 F341 I346 V347 K348S340-L344 PolarHBondContact O-N 2.92Å; F341-L344 PolarHBondContact O-N 2.98Å; L344-I346 PolarHBondContact O-N 2.9Å; L344-V347 PolarHBondContact O-N 3.43Å; L344-K348 HydrophobicContact CD1-CG 4.36Å; L344-K348 HydrophobicContact CG-CG 4.43Å; L344-K348 WeakPolarHBondContact O-CB 3.26Å; L344-K348 VanDerWaalsContact O-CG 3.27Å; L344-K348 WeakPolarHBondContact O-CG 3.11Å; L344-K348 PolarHBondContact O-N 2.87Å
345M96.5Very high95.8Very high112 Ų11297.6 Ų97.655%0.55249%0.487SS*.Hα-helixtrans-60.7-41.4176.7-81.4-66-67.500112.5F341 K342 R343 K348 K349F341-M345 WeakPolarHBondContact O-CB 3.2Å; F341-M345 VanDerWaalsContact O-CG 3.31Å; F341-M345 WeakPolarHBondContact O-CG 3.34Å; F341-M345 PolarHBondContact O-N 3.13Å; K342-M345 PolarHBondContact O-N 2.94Å; R343-M345 VanDerWaalsContact C-N 3.32Å; R343-M345 PolarHBondContact O-N 3.11Å; M345-K348 PolarHBondContact O-N 2.9Å; M345-K349 WeakPolarHBondContact O-CB 3.36Å; M345-K349 WeakPolarHBondContact O-CG 3.3Å; M345-K349 PolarHBondContact O-N 3.29Å
346I96.3Very high95.8Very high98 Ų9897.5 Ų97.550%0.50349%0.488SS..Hα-helixtrans-61.9-51175.7-67.3165.4000110.1K342 R343 L344 K348 K349 E350K342-I346 WeakPolarHBondContact O-CG1 3.43Å; K342-I346 PolarHBondContact O-N 3.41Å; K342-I346 VanDerWaalsContact O-N 3.11Å; R343-I346 PolarHBondContact O-N 3.26Å; L344-I346 PolarHBondContact O-N 2.9Å; I346-K348 VanDerWaalsContact C-N 3.28Å; I346-K348 PolarHBondContact O-N 3.38Å; I346-K349 PolarHBondContact O-N 3.41Å; I346-K349 VanDerWaalsContact O-N 3.1Å; I346-E350 WeakPolarHBondContact O-CG 3.2Å; I346-E350 PolarHBondContact O-N 3.37Å
347V96.4Very high95.9Very high62 Ų6299.8 Ų99.838%0.37649%0.49SS..Hα-helixtrans-58.4-40.4178.6173.70000111.6R343 L344 E350 K351R343-V347 WeakPolarHBondContact O-CG2 3.4Å; R343-V347 PolarHBondContact O-N 3.42Å; R343-V347 VanDerWaalsContact O-N 3.12Å; L344-V347 PolarHBondContact O-N 3.43Å; V347-E350 PolarHBondContact O-N 2.97Å; V347-K351 HydrophobicContact CG1-CD 4.31Å; V347-K351 WeakPolarHBondContact O-CB 3.26Å; V347-K351 WeakPolarHBondContact O-CG 3.33Å; V347-K351 PolarHBondContact O-N 3.2Å
348K96.8Very high96Very high125 Ų125101.4 Ų101.454%0.54350%0.496SS..Hα-helixtrans-67.6-40.5177.1-69.3-69.9-178.3175.90112.1L344 M345 I346 K351 L352L344-K348 HydrophobicContact CD1-CG 4.36Å; L344-K348 HydrophobicContact CG-CG 4.43Å; L344-K348 WeakPolarHBondContact O-CB 3.26Å; L344-K348 VanDerWaalsContact O-CG 3.27Å; L344-K348 WeakPolarHBondContact O-CG 3.11Å; L344-K348 PolarHBondContact O-N 2.87Å; M345-K348 PolarHBondContact O-N 2.9Å; I346-K348 VanDerWaalsContact C-N 3.28Å; I346-K348 PolarHBondContact O-N 3.38Å; K348-K351 PolarHBondContact O-N 3.5Å; K348-L352 WeakPolarHBondContact O-CB 3.22Å; K348-L352 PolarHBondContact O-N 2.85Å
349K95.6Very high96Very high143 Ų143103.2 Ų103.262%0.62251%0.506SS*.Hα-helixtrans-62.9-42.2174.4-78.1-177.5176.7-176.80111.9M345 I346 L352 A353M345-K349 WeakPolarHBondContact O-CB 3.36Å; M345-K349 WeakPolarHBondContact O-CG 3.3Å; M345-K349 PolarHBondContact O-N 3.29Å; I346-K349 PolarHBondContact O-N 3.41Å; I346-K349 VanDerWaalsContact O-N 3.1Å; K349-L352 PolarHBondContact O-N 3.28Å; K349-A353 WeakPolarHBondContact O-CB 3.49Å; K349-A353 PolarHBondContact O-N 3.32Å
350E96Very high96Very high117 Ų117105.2 Ų105.255%0.54752%0.517SS..Hα-helixtrans-64.8-44.3176.2-71.6174.3176.300112.2I346 V347 L352 A353 T354I346-E350 WeakPolarHBondContact O-CG 3.2Å; I346-E350 PolarHBondContact O-N 3.37Å; V347-E350 PolarHBondContact O-N 2.97Å; E350-L352 VanDerWaalsContact C-N 3.32Å; E350-L352 PolarHBondContact O-N 3.09Å; E350-A353 PolarHBondContact O-N 3.32Å; E350-T354 WeakPolarHBondContact O-CB 3.25Å; E350-T354 PolarHBondContact O-N 3.34Å; E350-T354 PolarHBondContact O-OG1 2.62Å
351K95.3Very high96.1Very high115 Ų115108.1 Ų108.150%0.552%0.522SS..Hα-helixtrans-60.4-41.8174.4-75.5-174.8178.5-169.50111.3E140 V347 K348 T354 A355E140-K351 IonicContact OE1-NZ 2.67Å; V347-K351 HydrophobicContact CG1-CD 4.31Å; V347-K351 WeakPolarHBondContact O-CB 3.26Å; V347-K351 WeakPolarHBondContact O-CG 3.33Å; V347-K351 PolarHBondContact O-N 3.2Å; K348-K351 PolarHBondContact O-N 3.5Å; K351-T354 PolarHBondContact O-N 3Å; K351-A355 WeakPolarHBondContact O-CB 3.35Å; K351-A355 PolarHBondContact O-N 2.95Å
352L96Very high96.1Very high100 Ų100109.5 Ų109.552%0.52453%0.528SS..Hα-helixtrans-64-47.4176.2-177.666.4000111.8K348 K349 E350 T354 A355 Q356K348-L352 WeakPolarHBondContact O-CB 3.22Å; K348-L352 PolarHBondContact O-N 2.85Å; K349-L352 PolarHBondContact O-N 3.28Å; E350-L352 VanDerWaalsContact C-N 3.32Å; E350-L352 PolarHBondContact O-N 3.09Å; L352-T354 VanDerWaalsContact C-N 3.32Å; L352-T354 PolarHBondContact O-N 3.35Å; L352-A355 PolarHBondContact O-N 3.28Å; L352-Q356 WeakPolarHBondContact O-CB 3.5Å; L352-Q356 WeakPolarHBondContact O-CG 3.48Å; L352-Q356 PolarHBondContact O-N 3.28Å
353A96.3Very high96.1Very high53 Ų53109.7 Ų109.744%0.43853%0.53SS..Hα-helixtrans-60.2-42.5177.400000111.8K349 E350 A355 Q356 F357K349-A353 WeakPolarHBondContact O-CB 3.49Å; K349-A353 PolarHBondContact O-N 3.32Å; E350-A353 PolarHBondContact O-N 3.32Å; A353-A355 PolarHBondContact O-N 3.14Å; A353-Q356 PolarHBondContact O-N 3.48Å; A353-F357 WeakPolarHBondContact O-CB 3.43Å; A353-F357 PolarHBondContact O-N 3Å
354T95.3Very high96.2Very high73 Ų73104.7 Ų104.745%0.44852%0.515SS..Hα-helixtrans-63.2-42.1175.8-56.90000111.9E350 K351 L352 F357 K358E350-T354 WeakPolarHBondContact O-CB 3.25Å; E350-T354 PolarHBondContact O-N 3.34Å; E350-T354 PolarHBondContact O-OG1 2.62Å; K351-T354 PolarHBondContact O-N 3Å; L352-T354 VanDerWaalsContact C-N 3.32Å; L352-T354 PolarHBondContact O-N 3.35Å; T354-F357 PolarHBondContact O-N 3.43Å; T354-K358 HydrophobicContact CG2-CD 4.5Å; T354-K358 WeakPolarHBondContact O-CG 3.41Å; T354-K358 PolarHBondContact O-N 2.85Å
355A95.5Very high96.2Very high44 Ų44104 Ų10436%0.36451%0.512SS..Hα-helixtrans-65.1-45.2176.900000111.6K351 L352 A353 F357 K358 I359K351-A355 WeakPolarHBondContact O-CB 3.35Å; K351-A355 PolarHBondContact O-N 2.95Å; L352-A355 PolarHBondContact O-N 3.28Å; A353-A355 PolarHBondContact O-N 3.14Å; A355-F357 VanDerWaalsContact C-N 3.34Å; A355-F357 PolarHBondContact O-N 3.34Å; A355-K358 PolarHBondContact O-N 3.24Å; A355-I359 WeakPolarHBondContact O-CG1 3.22Å; A355-I359 PolarHBondContact O-N 3.22Å
356Q96.4Very high96.2Very high105 Ų105103.3 Ų103.349%0.49151%0.514SS..Hα-helixtrans-60-43.5175.6-75.6174.4-18.200111.7L352 A353 K358 I359 N360L352-Q356 WeakPolarHBondContact O-CB 3.5Å; L352-Q356 WeakPolarHBondContact O-CG 3.48Å; L352-Q356 PolarHBondContact O-N 3.28Å; A353-Q356 PolarHBondContact O-N 3.48Å; Q356-K358 PolarHBondContact O-N 3.44Å; Q356-I359 PolarHBondContact O-N 3.14Å; Q356-N360 WeakPolarHBondContact O-CB 3.4Å; Q356-N360 VanDerWaalsContact O-CG 3.28Å; Q356-N360 PolarHBondContact O-N 3.01Å
357F96.6Very high96.3Very high142 Ų142103.3 Ų103.362%0.62351%0.51SS*.Hα-helixtrans-59.9-45.2174.8-179.8-97000112.1A353 T354 A355 I359 N360 K361A353-F357 WeakPolarHBondContact O-CB 3.43Å; A353-F357 PolarHBondContact O-N 3Å; T354-F357 PolarHBondContact O-N 3.43Å; A355-F357 VanDerWaalsContact C-N 3.34Å; A355-F357 PolarHBondContact O-N 3.34Å; F357-I359 PolarHBondContact O-N 3.22Å; F357-N360 PolarHBondContact O-N 2.93Å; F357-K361 WeakPolarHBondContact O-CB 3.33Å; F357-K361 PolarHBondContact O-N 3.45Å
358K96.6Very high96.3Very high136 Ų136105.7 Ų105.759%0.59152%0.517SS*.Hα-helixtrans-62.3-40.8176.6-74.1177.2-179.6179.90112.4T354 A355 Q356 K362T354-K358 HydrophobicContact CG2-CD 4.5Å; T354-K358 WeakPolarHBondContact O-CG 3.41Å; T354-K358 PolarHBondContact O-N 2.85Å; A355-K358 PolarHBondContact O-N 3.24Å; Q356-K358 PolarHBondContact O-N 3.44Å; K358-K362 WeakPolarHBondContact O-CG 3.29Å; K358-K362 PolarHBondContact O-N 2.88Å
359I96.4Very high96.2Very high111 Ų111107.8 Ų107.857%0.56952%0.523SS*.Hα-helixtrans-63.3-48.8176.3-70.7167000110.3A355 Q356 F357 K361 K362 H363A355-I359 WeakPolarHBondContact O-CG1 3.22Å; A355-I359 PolarHBondContact O-N 3.22Å; Q356-I359 PolarHBondContact O-N 3.14Å; F357-I359 PolarHBondContact O-N 3.22Å; I359-K361 VanDerWaalsContact C-N 3.33Å; I359-K361 PolarHBondContact O-N 3.13Å; I359-K362 PolarHBondContact O-N 3.41Å; I359-H363 WeakPolarHBondContact O-CB 3.32Å; I359-H363 PolarHBondContact O-N 2.64Å
360N97.1Very high96.3Very high108 Ų108107.6 Ų107.658%0.57852%0.522SS*.Hα-helixtrans-61.7-41.8179.6-71.8-12.8000111.7Q356 F357 H363 E364Q356-N360 WeakPolarHBondContact O-CB 3.4Å; Q356-N360 VanDerWaalsContact O-CG 3.28Å; Q356-N360 PolarHBondContact O-N 3.01Å; F357-N360 PolarHBondContact O-N 2.93Å; N360-H363 PolarHBondContact O-N 2.97Å; N360-E364 PolarHBondContact O-N 3.48Å
361K96.4Very high96.3Very high121 Ų121108.9 Ų108.953%0.52652%0.522SS..Hα-helixtrans-61.2-48.8175.5-174.2174.1-179.6177.30111.9F357 I359 H363 E364 D365F357-K361 WeakPolarHBondContact O-CB 3.33Å; F357-K361 PolarHBondContact O-N 3.45Å; I359-K361 VanDerWaalsContact C-N 3.33Å; I359-K361 PolarHBondContact O-N 3.13Å; K361-H363 VanDerWaalsContact C-N 3.28Å; K361-H363 PolarHBondContact O-N 2.72Å; K361-E364 PolarHBondContact O-N 3.41Å; K361-E364 VanDerWaalsContact O-N 3.16Å; K361-D365 VanDerWaalsContact O-CG 3.23Å; K361-D365 PolarHBondContact O-N 3.1Å
362K95.4Very high96.4Very high151 Ų151106.4 Ų106.466%0.65752%0.516SS*.Hα-helixtrans-58.7-40.3175.8-77.9-173.6175.3-173.50112.3K358 I359 E364 D365 V366K358-K362 WeakPolarHBondContact O-CG 3.29Å; K358-K362 PolarHBondContact O-N 2.88Å; I359-K362 PolarHBondContact O-N 3.41Å; K362-E364 VanDerWaalsContact C-N 3.35Å; K362-D365 PolarHBondContact O-N 3.4Å; K362-V366 WeakPolarHBondContact O-CB 3.02Å; K362-V366 VanDerWaalsContact O-CG2 3.27Å; K362-V366 WeakPolarHBondContact O-CG2 3.23Å; K362-V366 PolarHBondContact O-N 3.07Å
363H96Very high96.4Very high107 Ų107104.8 Ų104.850%0.49551%0.51SS..Hα-helixtrans-64.7-39.3178-178.5-107.4000112I359 N360 K361 K367I359-H363 WeakPolarHBondContact O-CB 3.32Å; I359-H363 PolarHBondContact O-N 2.64Å; N360-H363 PolarHBondContact O-N 2.97Å; K361-H363 VanDerWaalsContact C-N 3.28Å; K361-H363 PolarHBondContact O-N 2.72Å; H363-K367 WeakPolarHBondContact CE1-CE 3.17Å; H363-K367 PolarHBondContact CE1-NZ 2.84Å; H363-K367 WeakPolarHBondContact O-CG 3.38Å; H363-K367 PolarHBondContact O-N 3.3Å
364E96.8Very high96.4Very high83 Ų83106.2 Ų106.239%0.38851%0.51SS..Hα-helixtrans-69.6-41.3174.3-166.956.4-146.700112.3N360 K361 K362 V366 K367 Q368 R371N360-E364 PolarHBondContact O-N 3.48Å; K361-E364 PolarHBondContact O-N 3.41Å; K361-E364 VanDerWaalsContact O-N 3.16Å; K362-E364 VanDerWaalsContact C-N 3.35Å; E364-V366 VanDerWaalsContact C-N 3.32Å; E364-V366 PolarHBondContact O-N 2.86Å; E364-K367 WeakPolarHBondContact O-CB 3.43Å; E364-K367 PolarHBondContact O-N 3.37Å; E364-K367 VanDerWaalsContact O-N 3.15Å; E364-Q368 WeakPolarHBondContact O-CB 3.27Å; E364-Q368 PolarHBondContact O-N 3.09Å; E364-R371 IonicContact OE1-NH2 3.65Å; E364-R371 PolarHBondContact OE1-NH2 3.45Å
365D96.9Very high96.5Very high78 Ų78107.7 Ų107.742%0.41751%0.512SS..Hα-helixtrans-59-43.4175.2-66.4-21.8000110.9K361 K362 Q368 Y369K361-D365 VanDerWaalsContact O-CG 3.23Å; K361-D365 PolarHBondContact O-N 3.1Å; K362-D365 PolarHBondContact O-N 3.4Å; D365-Q368 PolarHBondContact O-N 3.02Å; D365-Y369 WeakPolarHBondContact O-CB 3.49Å; D365-Y369 PolarHBondContact O-N 3.29Å
366V97Very high96.5Very high98 Ų98109.4 Ų109.459%0.59452%0.515SS*.Hα-helixtrans-65.2-40.9175.6169.80000111.5K362 E364 Y369 K370K362-V366 WeakPolarHBondContact O-CB 3.02Å; K362-V366 VanDerWaalsContact O-CG2 3.27Å; K362-V366 WeakPolarHBondContact O-CG2 3.23Å; K362-V366 PolarHBondContact O-N 3.07Å; E364-V366 VanDerWaalsContact C-N 3.32Å; E364-V366 PolarHBondContact O-N 2.86Å; V366-Y369 PolarHBondContact O-N 3.22Å; V366-K370 WeakPolarHBondContact O-CB 3.41Å; V366-K370 PolarHBondContact O-N 2.91Å
367K96.8Very high96.5Very high97 Ų97108.2 Ų108.242%0.42252%0.517SS..Hα-helixtrans-62.7-42.3174.4-81.6176.9171.4177.30111.9H363 E364 R371H363-K367 WeakPolarHBondContact CE1-CE 3.17Å; H363-K367 PolarHBondContact CE1-NZ 2.84Å; H363-K367 WeakPolarHBondContact O-CG 3.38Å; H363-K367 PolarHBondContact O-N 3.3Å; E364-K367 WeakPolarHBondContact O-CB 3.43Å; E364-K367 PolarHBondContact O-N 3.37Å; E364-K367 VanDerWaalsContact O-N 3.15Å; K367-R371 WeakPolarHBondContact O-CG 3.23Å; K367-R371 PolarHBondContact O-N 3.5Å
368Q96.4Very high96.5Very high113 Ų113105.8 Ų105.853%0.52851%0.511SS..Hα-helixtrans-64.8-48.1176.5-172.8176.2-1.200110.7E364 D365 K370 R371 T372E364-Q368 WeakPolarHBondContact O-CB 3.27Å; E364-Q368 PolarHBondContact O-N 3.09Å; D365-Q368 PolarHBondContact O-N 3.02Å; Q368-K370 VanDerWaalsContact C-N 3.34Å; Q368-K370 PolarHBondContact O-N 3.4Å; Q368-R371 WeakPolarHBondContact O-CB 3.26Å; Q368-R371 PolarHBondContact O-N 2.82Å; Q368-R371 VanDerWaalsContact O-N 3.1Å; Q368-T372 PolarHBondContact O-N 2.92Å; Q368-T372 PolarHBondContact O-OG1 3.37Å
369Y95.8Very high96.5Very high169 Ų169103.5 Ų103.566%0.66350%0.501SS*.Hα-helixtrans-57.8-45.3176.3-178.1-106.2000112D365 V366 R371 T372 V373D365-Y369 WeakPolarHBondContact O-CB 3.49Å; D365-Y369 PolarHBondContact O-N 3.29Å; V366-Y369 PolarHBondContact O-N 3.22Å; Y369-R371 VanDerWaalsContact C-N 3.33Å; Y369-R371 PolarHBondContact O-N 2.93Å; Y369-T372 PolarHBondContact O-N 3.36Å; Y369-V373 HydrophobicContact CD1-CG2 4.15Å; Y369-V373 HydrophobicContact CD2-CG2 4.4Å; Y369-V373 HydrophobicContact CE1-CG2 3.73Å; Y369-V373 HydrophobicContact CE2-CG2 4Å; Y369-V373 HydrophobicContact CG-CG2 4.47Å; Y369-V373 WeakPolarHBondContact O-CG2 3.36Å; Y369-V373 PolarHBondContact O-N 3.06Å
370K96.9Very high96.5Very high138 Ų138102.8 Ų102.860%0.650%0.502SS*.Hα-helixtrans-58-43.7174.8-179.2179.1175.3179.80111.9V366 Q368 V373 I374V366-K370 WeakPolarHBondContact O-CB 3.41Å; V366-K370 PolarHBondContact O-N 2.91Å; Q368-K370 VanDerWaalsContact C-N 3.34Å; Q368-K370 PolarHBondContact O-N 3.4Å; K370-V373 PolarHBondContact O-N 3.18Å; K370-I374 HydrophobicContact CG-CD1 3.96Å; K370-I374 VanDerWaalsContact O-CG1 3.29Å; K370-I374 WeakPolarHBondContact O-CG1 3.41Å; K370-I374 PolarHBondContact O-N 3Å
371R96.4Very high96.5Very high145 Ų145102.4 Ų102.455%0.54750%0.496SS..Hα-helixtrans-60.5-47.1176.1-77.7-177.4-77.3-161.6-4111.3E364 K367 Q368 Y369 I374 E375E364-R371 IonicContact OE1-NH2 3.65Å; E364-R371 PolarHBondContact OE1-NH2 3.45Å; K367-R371 WeakPolarHBondContact O-CG 3.23Å; K367-R371 PolarHBondContact O-N 3.5Å; Q368-R371 WeakPolarHBondContact O-CB 3.26Å; Q368-R371 PolarHBondContact O-N 2.82Å; Q368-R371 VanDerWaalsContact O-N 3.1Å; Y369-R371 VanDerWaalsContact C-N 3.33Å; Y369-R371 PolarHBondContact O-N 2.93Å; R371-I374 PolarHBondContact O-N 2.98Å; R371-E375 PolarHBondContact O-N 3.11Å
372T96.6Very high96.5Very high62 Ų62103.3 Ų103.338%0.3850%0.502SS..Hα-helixtrans-61-45.5177.9-55.60000112.2Q368 Y369 I374 E375 D376Q368-T372 PolarHBondContact O-N 2.92Å; Q368-T372 PolarHBondContact O-OG1 3.37Å; Y369-T372 PolarHBondContact O-N 3.36Å; T372-I374 VanDerWaalsContact C-N 3.34Å; T372-I374 PolarHBondContact O-N 3.19Å; T372-E375 PolarHBondContact O-N 3.16Å; T372-D376 PolarHBondContact O-N 2.85Å
373V96.2Very high96.5Very high66 Ų66103.5 Ų103.540%0.450%0.503SS..Hα-helixtrans-62.3-40.3178.3171.10000111.9Y369 K370 D376 C377Y369-V373 HydrophobicContact CD1-CG2 4.15Å; Y369-V373 HydrophobicContact CD2-CG2 4.4Å; Y369-V373 HydrophobicContact CE1-CG2 3.73Å; Y369-V373 HydrophobicContact CE2-CG2 4Å; Y369-V373 HydrophobicContact CG-CG2 4.47Å; Y369-V373 WeakPolarHBondContact O-CG2 3.36Å; Y369-V373 PolarHBondContact O-N 3.06Å; K370-V373 PolarHBondContact O-N 3.18Å; V373-D376 PolarHBondContact O-N 3.46Å; V373-C377 VanDerWaalsContact O-CB 3.31Å; V373-C377 WeakPolarHBondContact O-CB 3.31Å; V373-C377 PolarHBondContact O-N 3.03Å
374I97Very high96.5Very high84 Ų84105.9 Ų105.943%0.43151%0.508SS..Hα-helixtrans-63.9-43.9175.5-70166.5000110.5K370 R371 T372 C377 N378K370-I374 HydrophobicContact CG-CD1 3.96Å; K370-I374 VanDerWaalsContact O-CG1 3.29Å; K370-I374 WeakPolarHBondContact O-CG1 3.41Å; K370-I374 PolarHBondContact O-N 3Å; R371-I374 PolarHBondContact O-N 2.98Å; T372-I374 VanDerWaalsContact C-N 3.34Å; T372-I374 PolarHBondContact O-N 3.19Å; I374-C377 PolarHBondContact O-N 3.4Å; I374-N378 VanDerWaalsContact O-CG 3.27Å; I374-N378 PolarHBondContact O-N 3.07Å; I374-N378 PolarHBondContact O-ND2 3.28Å
375E97Very high96.5Very high104 Ų104103.4 Ų103.449%0.48651%0.505SS..Hα-helixtrans-62.5-43.6178-164.7-172.4148.700112.1R371 T372 N378 K379R371-E375 PolarHBondContact O-N 3.11Å; T372-E375 PolarHBondContact O-N 3.16Å; E375-N378 PolarHBondContact O-N 3.37Å; E375-K379 WeakPolarHBondContact O-CG 3.49Å; E375-K379 PolarHBondContact O-N 3.47Å; E375-K379 VanDerWaalsContact OE1-CE 3.31Å; E375-K379 WeakPolarHBondContact OE1-CE 3.4Å; E375-K379 IonicContact OE1-NZ 3.43Å; E375-K379 PolarHBondContact OE1-NZ 2.88Å
376D96.4Very high96.5Very high80 Ų80101.5 Ų101.543%0.42850%0.5SS..Hα-helixtrans-65.7-39.2176.4-73.1-19000111.9T372 V373 N378 K379 V380T372-D376 PolarHBondContact O-N 2.85Å; V373-D376 PolarHBondContact O-N 3.46Å; D376-N378 VanDerWaalsContact C-N 3.34Å; D376-N378 PolarHBondContact O-N 2.88Å; D376-K379 PolarHBondContact O-N 3.38Å; D376-V380 WeakPolarHBondContact O-CG2 3.35Å; D376-V380 PolarHBondContact O-N 3.29Å
377C95.8Very high96.4Very high80 Ų80100 Ų10054%0.54149%0.491SS..Hα-helixtrans-61.3-43.4174.4-170.10000111.4V373 I374 V380 Q381V373-C377 VanDerWaalsContact O-CB 3.31Å; V373-C377 WeakPolarHBondContact O-CB 3.31Å; V373-C377 PolarHBondContact O-N 3.03Å; I374-C377 PolarHBondContact O-N 3.4Å; C377-V380 PolarHBondContact O-N 3.44Å; C377-Q381 WeakPolarHBondContact O-CB 3.37Å; C377-Q381 PolarHBondContact O-N 3.21Å
378N97.2Very high96.4Very high91 Ų91103.3 Ų103.349%0.48750%0.502SS..Hα-helixtrans-61.9-45.3175.4-70.3-16.3000111.5I374 E375 D376 V380 Q381 E382I374-N378 VanDerWaalsContact O-CG 3.27Å; I374-N378 PolarHBondContact O-N 3.07Å; I374-N378 PolarHBondContact O-ND2 3.28Å; E375-N378 PolarHBondContact O-N 3.37Å; D376-N378 VanDerWaalsContact C-N 3.34Å; D376-N378 PolarHBondContact O-N 2.88Å; N378-V380 VanDerWaalsContact C-N 3.33Å; N378-V380 PolarHBondContact O-N 3.17Å; N378-Q381 WeakPolarHBondContact O-CB 3.34Å; N378-Q381 PolarHBondContact O-N 3.29Å; N378-Q381 VanDerWaalsContact O-N 3.16Å; N378-E382 WeakPolarHBondContact O-CG 3.5Å; N378-E382 PolarHBondContact O-N 3.14Å
379K96.8Very high96.3Very high87 Ų87104.3 Ų104.338%0.37851%0.506SS..Hα-helixtrans-60.4-40.7175.8-72.9170.9-174.2160.20112.4E375 D376 K383E375-K379 WeakPolarHBondContact O-CG 3.49Å; E375-K379 PolarHBondContact O-N 3.47Å; E375-K379 VanDerWaalsContact OE1-CE 3.31Å; E375-K379 WeakPolarHBondContact OE1-CE 3.4Å; E375-K379 IonicContact OE1-NZ 3.43Å; E375-K379 PolarHBondContact OE1-NZ 2.88Å; D376-K379 PolarHBondContact O-N 3.38Å; K379-K383 WeakPolarHBondContact O-CB 3.46Å; K379-K383 WeakPolarHBondContact O-CG 3.39Å; K379-K383 PolarHBondContact O-N 3.09Å
380V96.2Very high96.4Very high97 Ų97103.1 Ų103.159%0.58850%0.501SS*.Hα-helixtrans-65.7-42.1175.8170.20000110.6D376 C377 N378 K383 R384D376-V380 WeakPolarHBondContact O-CG2 3.35Å; D376-V380 PolarHBondContact O-N 3.29Å; C377-V380 PolarHBondContact O-N 3.44Å; N378-V380 VanDerWaalsContact C-N 3.33Å; N378-V380 PolarHBondContact O-N 3.17Å; V380-K383 PolarHBondContact O-N 3.12Å; V380-R384 VanDerWaalsContact O-CB 3.31Å; V380-R384 WeakPolarHBondContact O-CB 3.31Å; V380-R384 PolarHBondContact O-N 3.41Å
381Q96.3Very high96.3Very high99 Ų99100.7 Ų100.746%0.46350%0.497SS..Hα-helixtrans-61.9-45.4177.2-176.6708.500112C377 N378 R384 G385C377-Q381 WeakPolarHBondContact O-CB 3.37Å; C377-Q381 PolarHBondContact O-N 3.21Å; N378-Q381 WeakPolarHBondContact O-CB 3.34Å; N378-Q381 PolarHBondContact O-N 3.29Å; N378-Q381 VanDerWaalsContact O-N 3.16Å; Q381-R384 VanDerWaalsContact CD-NH2 3.31Å; Q381-R384 PolarHBondContact O-N 2.99Å; Q381-G385 PolarHBondContact O-N 3.42Å
382E96.1Very high96.3Very high141 Ų14196.2 Ų96.266%0.65949%0.486SS*.Hα-helixtrans-61.1-48.3175.8-74.1176.2174.100111.5N378 R384 G385 A386N378-E382 WeakPolarHBondContact O-CG 3.5Å; N378-E382 PolarHBondContact O-N 3.14Å; E382-R384 VanDerWaalsContact C-N 3.3Å; E382-R384 PolarHBondContact O-N 2.88Å; E382-G385 PolarHBondContact O-N 2.76Å; E382-A386 PolarHBondContact O-N 3.29Å
383K96.1Very high96.3Very high154 Ų15496.4 Ų96.467%0.6749%0.487SS*.Hα-helixtrans-59.8-41.2176-76.3-178.9-179.8-179.60111.8K379 V380 A386 V387K379-K383 WeakPolarHBondContact O-CB 3.46Å; K379-K383 WeakPolarHBondContact O-CG 3.39Å; K379-K383 PolarHBondContact O-N 3.09Å; V380-K383 PolarHBondContact O-N 3.12Å; K383-A386 PolarHBondContact O-N 3.47Å; K383-V387 VanDerWaalsContact O-CG2 3.24Å; K383-V387 WeakPolarHBondContact O-CG2 3.28Å; K383-V387 PolarHBondContact O-N 3.07Å
384R95.5Very high96.2Very high157 Ų15797.7 Ų97.759%0.59249%0.491SS*.Hα-helixtrans-63-43.9176.4-171.6179.372.5173.57.2111.1V380 Q381 E382 V387 Y388V380-R384 VanDerWaalsContact O-CB 3.31Å; V380-R384 WeakPolarHBondContact O-CB 3.31Å; V380-R384 PolarHBondContact O-N 3.41Å; Q381-R384 VanDerWaalsContact CD-NH2 3.31Å; Q381-R384 PolarHBondContact O-N 2.99Å; E382-R384 VanDerWaalsContact C-N 3.3Å; E382-R384 PolarHBondContact O-N 2.88Å; R384-V387 PolarHBondContact O-N 2.74Å; R384-Y388 WeakPolarHBondContact O-CB 3.12Å; R384-Y388 PolarHBondContact O-N 2.86Å
385G96.8Very high96.2Very high32 Ų3298.1 Ų98.133%0.3349%0.494SS..Hα-helixtrans-57.4-50.3173.800000112Q381 E382 V387 Y388 E389Q381-G385 PolarHBondContact O-N 3.42Å; E382-G385 PolarHBondContact O-N 2.76Å; G385-V387 PolarHBondContact O-N 3.18Å; G385-Y388 WeakPolarHBondContact O-CB 3.09Å; G385-Y388 PolarHBondContact O-N 2.85Å; G385-Y388 VanDerWaalsContact O-N 3.16Å; G385-E389 PolarHBondContact O-N 2.68Å
386A96.4Very high96.2Very high37 Ų3798.6 Ų98.631%0.30650%0.496SS..Hα-helixtrans-63.5-37.7178.800000113.2E382 K383 R390E382-A386 PolarHBondContact O-N 3.29Å; K383-A386 PolarHBondContact O-N 3.47Å; A386-R390 WeakPolarHBondContact O-CG 3.48Å; A386-R390 PolarHBondContact O-N 2.98Å; A386-R390 VanDerWaalsContact O-N 3.14Å; A386-R390 PolarHBondContact O-NH1 3.28Å
387V96.2Very high96.2Very high68 Ų6899.8 Ų99.841%0.41250%0.499SS..Hα-helixtrans-65.3-45173.51710000110.5K383 R384 G385 E389 R390 V391K383-V387 VanDerWaalsContact O-CG2 3.24Å; K383-V387 WeakPolarHBondContact O-CG2 3.28Å; K383-V387 PolarHBondContact O-N 3.07Å; R384-V387 PolarHBondContact O-N 2.74Å; G385-V387 PolarHBondContact O-N 3.18Å; V387-E389 PolarHBondContact O-N 2.93Å; V387-R390 PolarHBondContact O-N 3.41Å; V387-V391 HydrophobicContact CG1-CG2 4.26Å; V387-V391 WeakPolarHBondContact O-CG2 3.43Å; V387-V391 PolarHBondContact O-N 3.36Å
388Y95.7Very high96.1Very high165 Ų16599.3 Ų99.365%0.64749%0.491SS*.Hα-helixtrans-59.8-45.4179.2-179-92.5000111.6R384 G385 R390 V391 T392R384-Y388 WeakPolarHBondContact O-CB 3.12Å; R384-Y388 PolarHBondContact O-N 2.86Å; G385-Y388 WeakPolarHBondContact O-CB 3.09Å; G385-Y388 PolarHBondContact O-N 2.85Å; G385-Y388 VanDerWaalsContact O-N 3.16Å; Y388-R390 PolarHBondContact O-N 3.48Å; Y388-V391 PolarHBondContact O-N 2.89Å; Y388-T392 WeakPolarHBondContact O-CB 3.4Å; Y388-T392 PolarHBondContact O-N 2.71Å; Y388-T392 PolarHBondContact O-OG1 3.47Å
389E95.7Very high96.1Very high134 Ų134100.3 Ų100.363%0.62649%0.493SS*.Hα-helixtrans-58.3-48.4174.1-74.6178.917300111.7G385 V387 V391 T392 T393G385-E389 PolarHBondContact O-N 2.68Å; V387-E389 PolarHBondContact O-N 2.93Å; E389-V391 PolarHBondContact O-N 2.94Å; E389-T392 WeakPolarHBondContact O-CB 3.48Å; E389-T392 PolarHBondContact O-N 3.14Å; E389-T392 VanDerWaalsContact O-N 3.13Å; E389-T393 PolarHBondContact O-N 3.38Å; E389-T393 PolarHBondContact O-OG1 3.2Å; E389-T393 VanDerWaalsContact O-OG1 3.13Å
390R96.2Very high96.1Very high145 Ų145103.6 Ų103.655%0.54751%0.507SS..Hα-helixtrans-59.2-44.6177.2-73.8-166.3-58-886.6112.7A386 V387 Y388 T392 T393 I394A386-R390 WeakPolarHBondContact O-CG 3.48Å; A386-R390 PolarHBondContact O-N 2.98Å; A386-R390 VanDerWaalsContact O-N 3.14Å; A386-R390 PolarHBondContact O-NH1 3.28Å; V387-R390 PolarHBondContact O-N 3.41Å; Y388-R390 PolarHBondContact O-N 3.48Å; R390-T392 VanDerWaalsContact C-N 3.29Å; R390-T392 PolarHBondContact O-N 3.06Å; R390-T393 PolarHBondContact O-N 3.14Å; R390-I394 VanDerWaalsContact O-CG1 3.31Å; R390-I394 WeakPolarHBondContact O-CG1 3.49Å; R390-I394 PolarHBondContact O-N 3.28Å
391V95.8Very high96Very high86 Ų86104 Ų10452%0.52150%0.504SS..Hα-helixtrans-61.8-41.3176.9169.70000110.4V387 Y388 E389 I394 N395V387-V391 HydrophobicContact CG1-CG2 4.26Å; V387-V391 WeakPolarHBondContact O-CG2 3.43Å; V387-V391 PolarHBondContact O-N 3.36Å; Y388-V391 PolarHBondContact O-N 2.89Å; E389-V391 PolarHBondContact O-N 2.94Å; V391-I394 PolarHBondContact O-N 3.25Å; V391-N395 VanDerWaalsContact O-CB 3.28Å; V391-N395 WeakPolarHBondContact O-CB 3.11Å; V391-N395 PolarHBondContact O-N 2.9Å
392T96Very high96Very high51 Ų51105.2 Ų105.231%0.31351%0.508SS..Hα-helixtrans-62.8-45178.2-49.90000111.1Y388 E389 R390 N395 Q396Y388-T392 WeakPolarHBondContact O-CB 3.4Å; Y388-T392 PolarHBondContact O-N 2.71Å; Y388-T392 PolarHBondContact O-OG1 3.47Å; E389-T392 WeakPolarHBondContact O-CB 3.48Å; E389-T392 PolarHBondContact O-N 3.14Å; E389-T392 VanDerWaalsContact O-N 3.13Å; R390-T392 VanDerWaalsContact C-N 3.29Å; R390-T392 PolarHBondContact O-N 3.06Å; T392-N395 PolarHBondContact O-N 3.26Å; T392-Q396 WeakPolarHBondContact O-CG 3.37Å; T392-Q396 PolarHBondContact O-N 3.17Å
393T96.4Very high96Very high67 Ų67103.7 Ų103.741%0.41150%0.504SS..Hα-helixtrans-62-49.2175.8-560000112E389 R390 N395 Q396 E397E389-T393 PolarHBondContact O-N 3.38Å; E389-T393 PolarHBondContact O-OG1 3.2Å; E389-T393 VanDerWaalsContact O-OG1 3.13Å; R390-T393 PolarHBondContact O-N 3.14Å; T393-N395 VanDerWaalsContact C-N 3.26Å; T393-N395 PolarHBondContact O-N 2.9Å; T393-Q396 WeakPolarHBondContact O-CB 3.32Å; T393-Q396 PolarHBondContact O-N 3.22Å; T393-Q396 VanDerWaalsContact O-N 3.13Å; T393-E397 WeakPolarHBondContact O-CG 3.48Å; T393-E397 PolarHBondContact O-N 2.92Å
394I95.6Very high96Very high92 Ų9297.6 Ų97.647%0.47249%0.485SS..Hα-helixtrans-58.8-41.7177.3-69.9166.9000110.4R390 V391 Q396 E397 I398R390-I394 VanDerWaalsContact O-CG1 3.31Å; R390-I394 WeakPolarHBondContact O-CG1 3.49Å; R390-I394 PolarHBondContact O-N 3.28Å; V391-I394 PolarHBondContact O-N 3.25Å; I394-Q396 VanDerWaalsContact C-N 3.33Å; I394-Q396 PolarHBondContact O-N 3.06Å; I394-E397 PolarHBondContact O-N 3.41Å; I394-I398 HydrophobicContact CG2-CD1 3.84Å; I394-I398 HydrophobicContact CG2-CG1 4.33Å; I394-I398 VanDerWaalsContact O-CG1 3.31Å; I394-I398 WeakPolarHBondContact O-CG1 3.38Å; I394-I398 PolarHBondContact O-N 2.96Å
395N95.9Very high96Very high93 Ų9395.1 Ų95.150%0.49748%0.482SS..Hα-helixtrans-66.4-36.6-179.9-153.529.7000111.7V391 T392 T393 Q399V391-N395 VanDerWaalsContact O-CB 3.28Å; V391-N395 WeakPolarHBondContact O-CB 3.11Å; V391-N395 PolarHBondContact O-N 2.9Å; T392-N395 PolarHBondContact O-N 3.26Å; T393-N395 VanDerWaalsContact C-N 3.26Å; T393-N395 PolarHBondContact O-N 2.9Å; N395-Q399 WeakPolarHBondContact O-CG 3.37Å; N395-Q399 PolarHBondContact O-N 3.19Å; N395-Q399 VanDerWaalsContact O-N 3.09Å
396Q96.5Very high95.9Very high114 Ų11498 Ų9853%0.53349%0.487SS..Hα-helixtrans-64.9-41.1171.6-70.9174.8300112.2T392 T393 I394 Q399 K400T392-Q396 WeakPolarHBondContact O-CG 3.37Å; T392-Q396 PolarHBondContact O-N 3.17Å; T393-Q396 WeakPolarHBondContact O-CB 3.32Å; T393-Q396 PolarHBondContact O-N 3.22Å; T393-Q396 VanDerWaalsContact O-N 3.13Å; I394-Q396 VanDerWaalsContact C-N 3.33Å; I394-Q396 PolarHBondContact O-N 3.06Å; Q396-Q399 PolarHBondContact O-N 3.26Å; Q396-K400 WeakPolarHBondContact O-CG 3.35Å; Q396-K400 PolarHBondContact O-N 3.44Å
397E96.4Very high95.8Very high105 Ų105101.9 Ų101.949%0.49150%0.499SS..Hα-helixtrans-63.9-44.2175.4-72.3176.1179.800111.9T393 I394 Q399 K400 I401T393-E397 WeakPolarHBondContact O-CG 3.48Å; T393-E397 PolarHBondContact O-N 2.92Å; I394-E397 PolarHBondContact O-N 3.41Å; E397-Q399 VanDerWaalsContact C-N 3.27Å; E397-Q399 PolarHBondContact O-N 3.28Å; E397-K400 PolarHBondContact O-N 3.47Å; E397-K400 VanDerWaalsContact O-N 3.14Å; E397-I401 WeakPolarHBondContact O-CG1 3.49Å; E397-I401 PolarHBondContact O-N 2.91Å
398I95.3Very high95.8Very high71 Ų71104.6 Ų104.636%0.36451%0.511SS..Hα-helixtrans-56.8-43.5174.4-72169.5000110.5I394 I401 K402I394-I398 HydrophobicContact CG2-CD1 3.84Å; I394-I398 HydrophobicContact CG2-CG1 4.33Å; I394-I398 VanDerWaalsContact O-CG1 3.31Å; I394-I398 WeakPolarHBondContact O-CG1 3.38Å; I394-I398 PolarHBondContact O-N 2.96Å; I398-I401 PolarHBondContact O-N 3.31Å; I398-K402 HydrophobicContact CG2-CD 4.19Å; I398-K402 HydrophobicContact CG2-CG 4.45Å; I398-K402 WeakPolarHBondContact O-CB 3.36Å; I398-K402 WeakPolarHBondContact O-CG 3.34Å; I398-K402 PolarHBondContact O-N 2.72Å
399Q96.1Very high95.7Very high112 Ų112103.4 Ų103.452%0.52351%0.509SS..Hα-helixtrans-63.6-42.9176.9-71.5-68.4-7.500112N395 Q396 E397 K402 L403N395-Q399 WeakPolarHBondContact O-CG 3.37Å; N395-Q399 PolarHBondContact O-N 3.19Å; N395-Q399 VanDerWaalsContact O-N 3.09Å; Q396-Q399 PolarHBondContact O-N 3.26Å; E397-Q399 VanDerWaalsContact C-N 3.27Å; E397-Q399 PolarHBondContact O-N 3.28Å; Q399-K402 PolarHBondContact O-N 3.19Å; Q399-L403 WeakPolarHBondContact O-CB 3.35Å; Q399-L403 PolarHBondContact O-N 2.84Å
400K96.3Very high95.7Very high156 Ų156100.8 Ų100.868%0.67850%0.499SS*.Hα-helixtrans-61.8-44.6174.9-73.7178.4-179.1176.20112.1Q396 E397 L403 G404Q396-K400 WeakPolarHBondContact O-CG 3.35Å; Q396-K400 PolarHBondContact O-N 3.44Å; E397-K400 PolarHBondContact O-N 3.47Å; E397-K400 VanDerWaalsContact O-N 3.14Å; K400-L403 PolarHBondContact O-N 3.39Å; K400-G404 PolarHBondContact O-N 3.36Å
401I95.6Very high95.7Very high104 Ų10495.7 Ų95.753%0.53349%0.488SS..Hα-helixtrans-64.4-45.3178.4-68.7168.5000110.5E397 I398 L403 G404 I405E397-I401 WeakPolarHBondContact O-CG1 3.49Å; E397-I401 PolarHBondContact O-N 2.91Å; I398-I401 PolarHBondContact O-N 3.31Å; I401-L403 VanDerWaalsContact C-N 3.31Å; I401-L403 PolarHBondContact O-N 2.95Å; I401-G404 PolarHBondContact O-N 3.23Å; I401-I405 HydrophobicContact CG2-CD1 3.81Å; I401-I405 HydrophobicContact CG2-CG1 4.32Å; I401-I405 WeakPolarHBondContact O-CG1 3.45Å; I401-I405 PolarHBondContact O-N 2.73Å
402K95.5Very high95.5Very high126 Ų12694.5 Ų94.555%0.54849%0.487SS..Hα-helixtrans-57.5-44.7175.8-80.2-178.2178-178.20111.8I398 Q399 I405 Q406I398-K402 HydrophobicContact CG2-CD 4.19Å; I398-K402 HydrophobicContact CG2-CG 4.45Å; I398-K402 WeakPolarHBondContact O-CB 3.36Å; I398-K402 WeakPolarHBondContact O-CG 3.34Å; I398-K402 PolarHBondContact O-N 2.72Å; Q399-K402 PolarHBondContact O-N 3.19Å; K402-I405 PolarHBondContact O-N 3.27Å; K402-Q406 PolarHBondContact O-N 3.45Å
403L96Very high95.5Very high108 Ų10896.2 Ų96.257%0.56549%0.491SS*.Hα-helixtrans-62.4-44.1176.1-169.673.9000111.4Q399 K400 I401 Q406 Q407Q399-L403 WeakPolarHBondContact O-CB 3.35Å; Q399-L403 PolarHBondContact O-N 2.84Å; K400-L403 PolarHBondContact O-N 3.39Å; I401-L403 VanDerWaalsContact C-N 3.31Å; I401-L403 PolarHBondContact O-N 2.95Å; L403-Q406 PolarHBondContact O-N 2.9Å; L403-Q407 WeakPolarHBondContact O-CG 3.43Å; L403-Q407 PolarHBondContact O-N 3.4Å
404G96.5Very high95.4Very high26 Ų26101.1 Ų101.127%0.26850%0.502SS..Hα-helixtrans-63.4-42.1177.900000113.4K400 I401 Q406 Q407 L408K400-G404 PolarHBondContact O-N 3.36Å; I401-G404 PolarHBondContact O-N 3.23Å; G404-Q406 VanDerWaalsContact C-N 3.32Å; G404-Q406 PolarHBondContact O-N 3.48Å; G404-Q407 PolarHBondContact O-N 3.18Å; G404-L408 WeakPolarHBondContact O-CB 3.46Å; G404-L408 PolarHBondContact O-N 3.41Å
405I94.3Very high95.2Very high105 Ų105102.2 Ų102.254%0.53851%0.505SS..Hα-helixtrans-61.1-43.3174.4-70170.3000110.4I401 K402 L408 K409I401-I405 HydrophobicContact CG2-CD1 3.81Å; I401-I405 HydrophobicContact CG2-CG1 4.32Å; I401-I405 WeakPolarHBondContact O-CG1 3.45Å; I401-I405 PolarHBondContact O-N 2.73Å; K402-I405 PolarHBondContact O-N 3.27Å; I405-L408 PolarHBondContact O-N 3.42Å; I405-K409 WeakPolarHBondContact O-CB 3.48Å; I405-K409 PolarHBondContact O-N 2.94Å
406Q95.5Very high95.1Very high93 Ų93102.5 Ų102.544%0.43550%0.502SS..Hα-helixtrans-62.7-45.8178.3-173.359.748.100111.3K402 L403 G404 L408 K409 D410K402-Q406 PolarHBondContact O-N 3.45Å; L403-Q406 PolarHBondContact O-N 2.9Å; G404-Q406 VanDerWaalsContact C-N 3.32Å; G404-Q406 PolarHBondContact O-N 3.48Å; Q406-L408 PolarHBondContact O-N 3.03Å; Q406-K409 WeakPolarHBondContact O-CB 3.37Å; Q406-K409 PolarHBondContact O-N 2.92Å; Q406-D410 PolarHBondContact NE2-OD1 3.33Å; Q406-D410 PolarHBondContact NE2-OD2 3.23Å; Q406-D410 PolarHBondContact O-N 2.8Å
407Q95.4Very high95Very high118 Ų118101.6 Ų101.655%0.55150%0.501SS*.Hα-helixtrans-61.2-42176.6-72.4176-13.100112.9L403 G404 D410 A411L403-Q407 WeakPolarHBondContact O-CG 3.43Å; L403-Q407 PolarHBondContact O-N 3.4Å; G404-Q407 PolarHBondContact O-N 3.18Å; Q407-D410 PolarHBondContact O-N 2.84Å; Q407-A411 WeakPolarHBondContact O-CB 3.43Å; Q407-A411 PolarHBondContact O-N 3.17Å
408L94.9Very high94.8Very high126 Ų126102 Ų10266%0.6650%0.501SS*.Hα-helixtrans-64-41.5175.6-81.8169.2000111.8G404 I405 Q406 A411 A412G404-L408 WeakPolarHBondContact O-CB 3.46Å; G404-L408 PolarHBondContact O-N 3.41Å; I405-L408 PolarHBondContact O-N 3.42Å; Q406-L408 PolarHBondContact O-N 3.03Å; L408-A411 PolarHBondContact O-N 3.23Å; L408-A412 WeakPolarHBondContact O-CB 3.38Å; L408-A412 PolarHBondContact O-N 3.38Å
409K95Very high94.5Very high140 Ų140102 Ų10261%0.60951%0.507SS*.Hα-helixtrans-61.7-44.8176-170.1179.4178.8-176.40111.2I405 Q406 A411 A412 E413I405-K409 WeakPolarHBondContact O-CB 3.48Å; I405-K409 PolarHBondContact O-N 2.94Å; Q406-K409 WeakPolarHBondContact O-CB 3.37Å; Q406-K409 PolarHBondContact O-N 2.92Å; K409-A411 VanDerWaalsContact C-N 3.35Å; K409-A412 PolarHBondContact O-N 2.91Å; K409-E413 PolarHBondContact O-N 3.28Å
410D94.8Very high94.3Very high78 Ų78101.7 Ų101.742%0.41751%0.506SS..Hα-helixtrans-68.5-32.7178.3-62.5-20.2000112.3Q406 Q407 R414Q406-D410 PolarHBondContact NE2-OD1 3.33Å; Q406-D410 PolarHBondContact NE2-OD2 3.23Å; Q406-D410 PolarHBondContact O-N 2.8Å; Q407-D410 PolarHBondContact O-N 2.84Å; D410-R414 WeakPolarHBondContact O-CB 3.5Å; D410-R414 WeakPolarHBondContact O-CG 3.3Å; D410-R414 PolarHBondContact O-N 2.98Å; D410-R414 PolarHBondContact O-NE 2.86Å
411A95.1Very high94.1Very high39 Ų39100 Ų10032%0.32250%0.5SS..Hα-helixtrans-70.6-45173.400000111.9Q407 L408 K409 E413 R414 E415Q407-A411 WeakPolarHBondContact O-CB 3.43Å; Q407-A411 PolarHBondContact O-N 3.17Å; L408-A411 PolarHBondContact O-N 3.23Å; K409-A411 VanDerWaalsContact C-N 3.35Å; A411-E413 PolarHBondContact O-N 3.2Å; A411-R414 PolarHBondContact O-N 3.41Å; A411-E415 PolarHBondContact O-N 3.34Å
412A93.5Very high93.9Very high60 Ų6099.1 Ų99.150%0.49650%0.495SS..Hα-helixtrans-62.4-41.4177.500000111.8L408 K409 E415 K416L408-A412 WeakPolarHBondContact O-CB 3.38Å; L408-A412 PolarHBondContact O-N 3.38Å; K409-A412 PolarHBondContact O-N 2.91Å; A412-E415 PolarHBondContact O-N 3.38Å; A412-K416 VanDerWaalsContact O-CB 3.27Å; A412-K416 WeakPolarHBondContact O-CB 3.5Å; A412-K416 PolarHBondContact O-N 2.85Å
413E94.3Very high93.6Very high87 Ų87100 Ų10041%0.40750%0.499SS..Hα-helixtrans-66.1-39.9176.4-164.962.2-152.200111.5K409 A411 K416 L417K409-E413 PolarHBondContact O-N 3.28Å; A411-E413 PolarHBondContact O-N 3.2Å; E413-K416 PolarHBondContact O-N 3.48Å; E413-K416 IonicContact OE1-NZ 3.27Å; E413-K416 PolarHBondContact OE1-NZ 3.35Å; E413-K416 IonicContact OE2-NZ 3.16Å; E413-K416 PolarHBondContact OE2-NZ 2.98Å; E413-L417 HydrophobicContact CG-CD1 4.5Å; E413-L417 WeakPolarHBondContact O-CB 3.43Å; E413-L417 VanDerWaalsContact O-CG 3.3Å; E413-L417 WeakPolarHBondContact O-CG 3.3Å; E413-L417 PolarHBondContact O-N 3.47Å
414R94.2Very high93.4Very high170 Ų17099.9 Ų99.964%0.64250%0.499SS*.Hα-helixtrans-61.3-45.4173-81.8-175.6-69.7165.2-2.1112.6D410 A411 L417 K418D410-R414 WeakPolarHBondContact O-CB 3.5Å; D410-R414 WeakPolarHBondContact O-CG 3.3Å; D410-R414 PolarHBondContact O-N 2.98Å; D410-R414 PolarHBondContact O-NE 2.86Å; A411-R414 PolarHBondContact O-N 3.41Å; R414-L417 PolarHBondContact O-N 3.32Å; R414-K418 WeakPolarHBondContact O-CB 3.33Å; R414-K418 PolarHBondContact O-N 3.48Å
415E92.7Very high93.1Very high115 Ų115103.2 Ų103.254%0.53751%0.511SS..Hα-helixtrans-67.6-39.1-179.4-163.861-144.800111.5A411 A412 K418 S419A411-E415 PolarHBondContact O-N 3.34Å; A412-E415 PolarHBondContact O-N 3.38Å; E415-K418 PolarHBondContact O-N 2.9Å; E415-S419 WeakPolarHBondContact O-CB 3.5Å; E415-S419 PolarHBondContact O-N 3.33Å
416K92.6Very high92.8Very high100 Ų100103 Ų10344%0.43551%0.51SS..Hα-helixtrans-59.1-48.2172.7174.4-174157.5-145.30111.5A412 E413 K418 S419 Q420A412-K416 VanDerWaalsContact O-CB 3.27Å; A412-K416 WeakPolarHBondContact O-CB 3.5Å; A412-K416 PolarHBondContact O-N 2.85Å; E413-K416 PolarHBondContact O-N 3.48Å; E413-K416 IonicContact OE1-NZ 3.27Å; E413-K416 PolarHBondContact OE1-NZ 3.35Å; E413-K416 IonicContact OE2-NZ 3.16Å; E413-K416 PolarHBondContact OE2-NZ 2.98Å; K416-K418 VanDerWaalsContact C-N 3.33Å; K416-K418 PolarHBondContact O-N 2.95Å; K416-S419 PolarHBondContact O-N 2.95Å; K416-Q420 WeakPolarHBondContact O-CB 3.49Å; K416-Q420 WeakPolarHBondContact O-CG 3.32Å; K416-Q420 PolarHBondContact O-N 3.47Å
417L93.9Very high92.6Very high95 Ų95103.6 Ų103.650%0.49751%0.511SS..Hα-helixtrans-60-43.7176.9-74.3169.4000111.5E413 R414 Q420 E421E413-L417 HydrophobicContact CG-CD1 4.5Å; E413-L417 WeakPolarHBondContact O-CB 3.43Å; E413-L417 VanDerWaalsContact O-CG 3.3Å; E413-L417 WeakPolarHBondContact O-CG 3.3Å; E413-L417 PolarHBondContact O-N 3.47Å; R414-L417 PolarHBondContact O-N 3.32Å; L417-Q420 PolarHBondContact O-N 3.37Å; L417-E421 WeakPolarHBondContact O-CB 3.27Å; L417-E421 PolarHBondContact O-N 2.98Å
418K93.4Very high92.3Very high114 Ų114100.7 Ų100.750%0.49650%0.501SS..Hα-helixtrans-64.9-40.9177.5-167.4-179.7-178.4-173.50112.6R414 E415 K416 E421 I422R414-K418 WeakPolarHBondContact O-CB 3.33Å; R414-K418 PolarHBondContact O-N 3.48Å; E415-K418 PolarHBondContact O-N 2.9Å; K416-K418 VanDerWaalsContact C-N 3.33Å; K416-K418 PolarHBondContact O-N 2.95Å; K418-E421 WeakPolarHBondContact O-CB 3.48Å; K418-E421 PolarHBondContact O-N 3.36Å; K418-I422 HydrophobicContact CG-CD1 4.33Å; K418-I422 VanDerWaalsContact O-CG1 3.3Å; K418-I422 WeakPolarHBondContact O-CG1 3.35Å; K418-I422 PolarHBondContact O-N 2.82Å
419S89.2Confident91.9Very high70 Ų7097.3 Ų97.349%0.4949%0.492SS..Hα-helixtrans-64.8-41.7175.4-178.60000111.7E415 K416 E421 I422 F423E415-S419 WeakPolarHBondContact O-CB 3.5Å; E415-S419 PolarHBondContact O-N 3.33Å; K416-S419 PolarHBondContact O-N 2.95Å; S419-E421 VanDerWaalsContact C-N 3.34Å; S419-I422 PolarHBondContact O-N 2.89Å; S419-F423 WeakPolarHBondContact O-CB 3.43Å; S419-F423 PolarHBondContact O-N 3.35Å
420Q92Very high91.4Very high106 Ų10694.9 Ų94.950%0.49549%0.485SS..Hα-helixtrans-61.4-42173.9-75.2177.7-22.600111.9K416 L417 F423 L424K416-Q420 WeakPolarHBondContact O-CB 3.49Å; K416-Q420 WeakPolarHBondContact O-CG 3.32Å; K416-Q420 PolarHBondContact O-N 3.47Å; L417-Q420 PolarHBondContact O-N 3.37Å; Q420-F423 PolarHBondContact O-N 2.92Å; Q420-L424 WeakPolarHBondContact O-CB 3.36Å; Q420-L424 PolarHBondContact O-N 3.32Å
421E92.4Very high91.1Very high120 Ų12095.7 Ų95.756%0.56149%0.486SS*.Hα-helixtrans-61.8-47.4174.8-174.2-175.8-176.200111.8L417 K418 S419 F423 L424 N425L417-E421 WeakPolarHBondContact O-CB 3.27Å; L417-E421 PolarHBondContact O-N 2.98Å; K418-E421 WeakPolarHBondContact O-CB 3.48Å; K418-E421 PolarHBondContact O-N 3.36Å; S419-E421 VanDerWaalsContact C-N 3.34Å; E421-F423 PolarHBondContact O-N 2.94Å; E421-L424 PolarHBondContact O-N 3.44Å; E421-N425 WeakPolarHBondContact O-CB 3.39Å; E421-N425 VanDerWaalsContact O-CG 3.26Å; E421-N425 PolarHBondContact O-N 2.93Å; E421-N425 PolarHBondContact O-ND2 3.33Å
422I90.8Very high90.6Very high85 Ų85101 Ų10144%0.43650%0.502SS..Hα-helixtrans-60.3-46176.5-69.3165.4000111K418 S419 L424 N425 L426K418-I422 HydrophobicContact CG-CD1 4.33Å; K418-I422 VanDerWaalsContact O-CG1 3.3Å; K418-I422 WeakPolarHBondContact O-CG1 3.35Å; K418-I422 PolarHBondContact O-N 2.82Å; S419-I422 PolarHBondContact O-N 2.89Å; I422-L424 PolarHBondContact O-N 2.71Å; I422-N425 PolarHBondContact O-N 3.46Å; I422-L426 HydrophobicContact CG2-CD1 3.97Å; I422-L426 WeakPolarHBondContact O-CB 3.42Å; I422-L426 PolarHBondContact O-N 3.5Å
423F89.2Confident90.2Very high144 Ų144105.2 Ų105.263%0.63251%0.506SS*.Hα-helixtrans-61.6-43.9178.7-177-92.1000111.6S419 Q420 E421 L426 K427S419-F423 WeakPolarHBondContact O-CB 3.43Å; S419-F423 PolarHBondContact O-N 3.35Å; Q420-F423 PolarHBondContact O-N 2.92Å; E421-F423 PolarHBondContact O-N 2.94Å; F423-L426 PolarHBondContact O-N 2.9Å; F423-K427 WeakPolarHBondContact O-CB 3.39Å; F423-K427 PolarHBondContact O-N 3.41Å
424L91.8Very high89.8Confident107 Ų107106.1 Ų106.156%0.5651%0.51SS*.Hα-helixtrans-62.6-42.9176.8-171.367.8000111.4Q420 E421 I422 K427 T428Q420-L424 WeakPolarHBondContact O-CB 3.36Å; Q420-L424 PolarHBondContact O-N 3.32Å; E421-L424 PolarHBondContact O-N 3.44Å; I422-L424 PolarHBondContact O-N 2.71Å; L424-K427 PolarHBondContact O-N 3.3Å; L424-T428 WeakPolarHBondContact O-CB 3.43Å; L424-T428 PolarHBondContact O-N 2.94Å; L424-T428 PolarHBondContact O-OG1 3.35Å
425N90.8Very high89.3Confident95 Ų95102.6 Ų102.651%0.50850%0.504SS..Hα-helixtrans-62.9-44.4175.8-73.7-24.2000112E421 I422 T428 A429E421-N425 WeakPolarHBondContact O-CB 3.39Å; E421-N425 VanDerWaalsContact O-CG 3.26Å; E421-N425 PolarHBondContact O-N 2.93Å; E421-N425 PolarHBondContact O-ND2 3.33Å; I422-N425 PolarHBondContact O-N 3.46Å; N425-T428 PolarHBondContact O-N 3.21Å; N425-A429 WeakPolarHBondContact O-CB 2.95Å; N425-A429 PolarHBondContact O-N 2.87Å
426L87.8Confident88.9Confident100 Ų10099 Ų9952%0.52450%0.498SS..Hα-helixtrans-62.4-47.1176.3-105.7150.4000111.7I422 F423 T428 A429 L430I422-L426 HydrophobicContact CG2-CD1 3.97Å; I422-L426 WeakPolarHBondContact O-CB 3.42Å; I422-L426 PolarHBondContact O-N 3.5Å; F423-L426 PolarHBondContact O-N 2.9Å; L426-T428 VanDerWaalsContact C-N 3.33Å; L426-T428 PolarHBondContact O-N 2.87Å; L426-A429 PolarHBondContact O-N 3.46Å; L426-L430 WeakPolarHBondContact O-CB 3.36Å; L426-L430 PolarHBondContact O-N 2.91Å
427K90Very high88.3Confident107 Ų10798 Ų9847%0.46550%0.497SS..Hα-helixtrans-56.9-48.1175.6-179179.5170.3-176.90110.9F423 L424 A429 L430 E431F423-K427 WeakPolarHBondContact O-CB 3.39Å; F423-K427 PolarHBondContact O-N 3.41Å; L424-K427 PolarHBondContact O-N 3.3Å; K427-A429 VanDerWaalsContact C-N 3.32Å; K427-A429 PolarHBondContact O-N 3.38Å; K427-L430 PolarHBondContact O-N 3.32Å; K427-E431 WeakPolarHBondContact CE-OE1 3.4Å; K427-E431 IonicContact NZ-OE1 3.9Å; K427-E431 WeakPolarHBondContact O-CG 3.43Å; K427-E431 PolarHBondContact O-N 3.18Å
428T89Confident87.6Confident56 Ų5699.2 Ų99.234%0.34450%0.5SS..Hα-helixtrans-62.1-38.9178-51.50000111.9L424 N425 L426 K432L424-T428 WeakPolarHBondContact O-CB 3.43Å; L424-T428 PolarHBondContact O-N 2.94Å; L424-T428 PolarHBondContact O-OG1 3.35Å; N425-T428 PolarHBondContact O-N 3.21Å; L426-T428 VanDerWaalsContact C-N 3.33Å; L426-T428 PolarHBondContact O-N 2.87Å; T428-K432 WeakPolarHBondContact O-CG 3.43Å; T428-K432 PolarHBondContact O-N 3.46Å
429A86.4Confident87Confident56 Ų56100.6 Ų100.646%0.46351%0.506SS..Hα-helixtrans-68.7-38.8176.800000112.3N425 L426 K427 K432 Y433N425-A429 WeakPolarHBondContact O-CB 2.95Å; N425-A429 PolarHBondContact O-N 2.87Å; L426-A429 PolarHBondContact O-N 3.46Å; K427-A429 VanDerWaalsContact C-N 3.32Å; K427-A429 PolarHBondContact O-N 3.38Å; A429-K432 PolarHBondContact O-N 3.03Å; A429-Y433 WeakPolarHBondContact O-CB 3.37Å; A429-Y433 PolarHBondContact O-N 2.89Å
430L85.5Confident86.3Confident89 Ų89100 Ų10047%0.46651%0.506SS..Hα-helixtrans-65.6-45.1175.4-116.8142.2000111.6L426 K427 Y433 H434L426-L430 WeakPolarHBondContact O-CB 3.36Å; L426-L430 PolarHBondContact O-N 2.91Å; K427-L430 PolarHBondContact O-N 3.32Å; L430-Y433 PolarHBondContact O-N 3.23Å; L430-H434 WeakPolarHBondContact CD2-NE2 3.47Å; L430-H434 PolarHBondContact O-CD2 3.01Å; L430-H434 VanDerWaalsContact O-CD2 3.22Å; L430-H434 PolarHBondContact O-N 3.26Å
431E87.6Confident85.5Confident94 Ų9497 Ų9744%0.43950%0.499SS..Hα-helixtrans-57.5-49.2173.5-74.3169.9172.100110.4K427 Y433 H434 D435K427-E431 WeakPolarHBondContact CE-OE1 3.4Å; K427-E431 IonicContact NZ-OE1 3.9Å; K427-E431 WeakPolarHBondContact O-CG 3.43Å; K427-E431 PolarHBondContact O-N 3.18Å; E431-Y433 VanDerWaalsContact C-N 3.31Å; E431-Y433 PolarHBondContact O-N 2.87Å; E431-H434 PolarHBondContact O-N 3.2Å; E431-D435 PolarHBondContact O-N 2.88Å
432K86.2Confident84.9Confident151 Ų15197.1 Ų97.166%0.65750%0.499SS*.Hα-helixtrans-59.8-37.1174.6-78.9-177.7178.3-179.90113.9T428 A429 G436T428-K432 WeakPolarHBondContact O-CG 3.43Å; T428-K432 PolarHBondContact O-N 3.46Å; A429-K432 PolarHBondContact O-N 3.03Å; K432-G436 PolarHBondContact O-N 2.88Å
433Y84.9Confident84.2Confident149 Ų14998.1 Ų98.158%0.58451%0.506SS*.Hα-helixtrans-68.2-43.3177.5177.2-101000111.3A429 L430 E431 G436 I437A429-Y433 WeakPolarHBondContact O-CB 3.37Å; A429-Y433 PolarHBondContact O-N 2.89Å; L430-Y433 PolarHBondContact O-N 3.23Å; E431-Y433 VanDerWaalsContact C-N 3.31Å; E431-Y433 PolarHBondContact O-N 2.87Å; Y433-G436 PolarHBondContact O-N 3.22Å; Y433-I437 HydrophobicContact CD1-CD1 3.96Å; Y433-I437 HydrophobicContact CE1-CD1 3.29Å; Y433-I437 HydrophobicContact CE1-CG1 4.16Å; Y433-I437 HydrophobicContact CE2-CD1 4.49Å; Y433-I437 PolarHBondContact O-N 2.89Å
434H85.2Confident83.4Confident105 Ų10593.9 Ų93.949%0.48649%0.493SS..Hα-helixtrans-64.7-45.2175.8-79.8-61.5000112.2L430 E431 G436 I437 E438L430-H434 WeakPolarHBondContact CD2-NE2 3.47Å; L430-H434 PolarHBondContact O-CD2 3.01Å; L430-H434 VanDerWaalsContact O-CD2 3.22Å; L430-H434 PolarHBondContact O-N 3.26Å; E431-H434 PolarHBondContact O-N 3.2Å; H434-G436 PolarHBondContact O-N 2.95Å; H434-I437 PolarHBondContact O-N 3.03Å; H434-I437 VanDerWaalsContact O-N 3.1Å; H434-E438 PolarHBondContact O-N 3.37Å
435D84.6Confident82.5Confident97 Ų9796.6 Ų96.652%0.51950%0.497SS..Hα-helixtrans-56.3-37.3171.7-76.3-0.2000111.4E431 K439E431-D435 PolarHBondContact O-N 2.88Å; D435-K439 WeakPolarHBondContact O-CB 3.41Å; D435-K439 PolarHBondContact O-N 3.22Å
436G83.3Confident81.6Confident39 Ų3994.8 Ų94.840%0.40250%0.496SS..Hα-helixtrans-67.2-40.8176.100000113.5K432 Y433 H434 A440K432-G436 PolarHBondContact O-N 2.88Å; Y433-G436 PolarHBondContact O-N 3.22Å; H434-G436 PolarHBondContact O-N 2.95Å; G436-A440 WeakPolarHBondContact O-CB 3.4Å; G436-A440 PolarHBondContact O-N 3.01Å
437I80.4Confident81Confident80 Ų8096.8 Ų96.841%0.4150%0.5SS..Hα-helixtrans-65.3-45.3173.6-72.5178.4000110.5Y433 H434 K439 A440 A441Y433-I437 HydrophobicContact CD1-CD1 3.96Å; Y433-I437 HydrophobicContact CE1-CD1 3.29Å; Y433-I437 HydrophobicContact CE1-CG1 4.16Å; Y433-I437 HydrophobicContact CE2-CD1 4.49Å; Y433-I437 PolarHBondContact O-N 2.89Å; H434-I437 PolarHBondContact O-N 3.03Å; H434-I437 VanDerWaalsContact O-N 3.1Å; I437-K439 VanDerWaalsContact C-N 3.35Å; I437-K439 PolarHBondContact O-N 3.2Å; I437-A440 PolarHBondContact O-N 2.98Å; I437-A440 VanDerWaalsContact O-N 3.15Å; I437-A441 WeakPolarHBondContact O-CB 3.42Å; I437-A441 PolarHBondContact O-N 3.15Å
438E79.5Confident80.1Confident119 Ų11996.3 Ų96.356%0.55650%0.502SS*.Hα-helixtrans-59.6-47.7-179.5-167.9167.5-154.800110.3H434 A440 A441 E442H434-E438 PolarHBondContact O-N 3.37Å; E438-A440 PolarHBondContact O-N 3.44Å; E438-A441 WeakPolarHBondContact O-CB 3.45Å; E438-A441 PolarHBondContact O-N 3.49Å; E438-E442 WeakPolarHBondContact O-CG 3.49Å; E438-E442 PolarHBondContact O-N 2.9Å
439K79.3Confident79.3Confident143 Ų14398.7 Ų98.762%0.62251%0.512SS*.Hα-helixtrans-57.8-44.4171.3-90.2-176.7172.61760113.8D435 I437 A441 E442 D443D435-K439 WeakPolarHBondContact O-CB 3.41Å; D435-K439 PolarHBondContact O-N 3.22Å; I437-K439 VanDerWaalsContact C-N 3.35Å; I437-K439 PolarHBondContact O-N 3.2Å; K439-A441 VanDerWaalsContact C-N 3.29Å; K439-A441 PolarHBondContact O-N 3.42Å; K439-E442 PolarHBondContact O-N 2.89Å; K439-D443 WeakPolarHBondContact O-CB 3.37Å; K439-D443 PolarHBondContact O-N 3.1Å
440A75.9Confident78.6Confident59 Ų59102.5 Ų102.549%0.48852%0.521SS..Hα-helixtrans-65.7-34.8179.300000112.1G436 I437 E438 S444G436-A440 WeakPolarHBondContact O-CB 3.4Å; G436-A440 PolarHBondContact O-N 3.01Å; I437-A440 PolarHBondContact O-N 2.98Å; I437-A440 VanDerWaalsContact O-N 3.15Å; E438-A440 PolarHBondContact O-N 3.44Å; A440-S444 WeakPolarHBondContact O-CB 3.42Å; A440-S444 PolarHBondContact O-N 2.83Å
441A74.6Confident77.9Confident43 Ų43105.2 Ų105.236%0.35553%0.529SS..Hα-helixtrans-68.2-46.1174.800000110.9I437 E438 K439 D443 S444 Y445I437-A441 WeakPolarHBondContact O-CB 3.42Å; I437-A441 PolarHBondContact O-N 3.15Å; E438-A441 WeakPolarHBondContact O-CB 3.45Å; E438-A441 PolarHBondContact O-N 3.49Å; K439-A441 VanDerWaalsContact C-N 3.29Å; K439-A441 PolarHBondContact O-N 3.42Å; A441-D443 PolarHBondContact O-N 3.37Å; A441-S444 PolarHBondContact O-N 3.39Å; A441-S444 PolarHBondContact O-OG 3.35Å; A441-Y445 PolarHBondContact O-N 2.99Å
442E79.1Confident77Confident122 Ų122103.6 Ų103.657%0.5753%0.526SS*.Hα-helixtrans-57.2-47.4173.2-74.1-177.3159.600111.8E438 K439 S444 Y445 A446E438-E442 WeakPolarHBondContact O-CG 3.49Å; E438-E442 PolarHBondContact O-N 2.9Å; K439-E442 PolarHBondContact O-N 2.89Å; E442-S444 VanDerWaalsContact C-N 3.29Å; E442-S444 PolarHBondContact O-N 3.5Å; E442-Y445 PolarHBondContact O-N 2.87Å; E442-A446 WeakPolarHBondContact O-CB 3.45Å; E442-A446 PolarHBondContact O-N 3.23Å
443D77.5Confident76.3Confident106 Ų10698.5 Ų98.557%0.56751%0.512SS*.Hα-helixtrans-61.8-36.5176.4-83.4-13000112.2K439 A441 K447K439-D443 WeakPolarHBondContact O-CB 3.37Å; K439-D443 PolarHBondContact O-N 3.1Å; A441-D443 PolarHBondContact O-N 3.37Å; D443-K447 WeakPolarHBondContact O-CB 3.48Å; D443-K447 WeakPolarHBondContact O-CG 3.37Å; D443-K447 PolarHBondContact O-N 2.92Å
444S71.6Confident75.5Confident54 Ų5496.4 Ų96.438%0.37851%0.507SS..Hα-helixtrans-69.3-40.717780.30000111.8A440 A441 E442 K447 I448A440-S444 WeakPolarHBondContact O-CB 3.42Å; A440-S444 PolarHBondContact O-N 2.83Å; A441-S444 PolarHBondContact O-N 3.39Å; A441-S444 PolarHBondContact O-OG 3.35Å; E442-S444 VanDerWaalsContact C-N 3.29Å; E442-S444 PolarHBondContact O-N 3.5Å; S444-K447 PolarHBondContact O-N 3.18Å; S444-I448 WeakPolarHBondContact O-CB 3.44Å; S444-I448 VanDerWaalsContact O-CG1 3.27Å; S444-I448 WeakPolarHBondContact O-CG1 3.46Å; S444-I448 PolarHBondContact O-N 2.96Å
445Y72.4Confident74.5Confident164 Ų16496.6 Ų96.664%0.64351%0.511SS*.Hα-helixtrans-62.7-46.2173.9-101.1-78000110.6A441 E442 K447 I448 D449A441-Y445 PolarHBondContact O-N 2.99Å; E442-Y445 PolarHBondContact O-N 2.87Å; Y445-K447 VanDerWaalsContact C-N 3.33Å; Y445-K447 PolarHBondContact O-N 2.7Å; Y445-I448 PolarHBondContact O-N 3.32Å; Y445-D449 WeakPolarHBondContact O-CB 3.49Å; Y445-D449 PolarHBondContact O-N 2.91Å
446A73.6Confident73.7Confident58 Ų5898.7 Ų98.748%0.47952%0.516SS..Hα-helixtrans-58.6-4317600000112.1E442 D449 E450E442-A446 WeakPolarHBondContact O-CB 3.45Å; E442-A446 PolarHBondContact O-N 3.23Å; A446-D449 PolarHBondContact O-N 3.48Å; A446-E450 WeakPolarHBondContact O-CB 3.27Å; A446-E450 PolarHBondContact O-N 3.44Å
447K73.4Confident72.9Confident141 Ų141105.7 Ų105.761%0.61353%0.53SS*.Hα-helixtrans-67.3-37.3175.5-81.3175.9179.9167.60113.5D443 S444 Y445 K451D443-K447 WeakPolarHBondContact O-CB 3.48Å; D443-K447 WeakPolarHBondContact O-CG 3.37Å; D443-K447 PolarHBondContact O-N 2.92Å; S444-K447 PolarHBondContact O-N 3.18Å; Y445-K447 VanDerWaalsContact C-N 3.33Å; Y445-K447 PolarHBondContact O-N 2.7Å; K447-K451 WeakPolarHBondContact O-CB 3.48Å; K447-K451 PolarHBondContact O-N 2.9Å
448I71.9Confident72Confident98 Ų98108.5 Ų108.550%0.50354%0.539SS..Hα-helixtrans-66.7-44.5175.9-72.3168.3000109.5S444 Y445 E450 K451 T452S444-I448 WeakPolarHBondContact O-CB 3.44Å; S444-I448 VanDerWaalsContact O-CG1 3.27Å; S444-I448 WeakPolarHBondContact O-CG1 3.46Å; S444-I448 PolarHBondContact O-N 2.96Å; Y445-I448 PolarHBondContact O-N 3.32Å; I448-E450 VanDerWaalsContact C-N 3.34Å; I448-E450 PolarHBondContact O-N 2.85Å; I448-K451 PolarHBondContact O-N 2.89Å; I448-T452 VanDerWaalsContact O-CB 3.27Å; I448-T452 WeakPolarHBondContact O-CB 3.44Å; I448-T452 PolarHBondContact O-N 3.33Å; I448-T452 PolarHBondContact O-OG1 2.84Å
449D72Confident70.9Confident105 Ų105109.4 Ų109.456%0.56155%0.545SS*.Hα-helixtrans-62.3-41.4176.4-84.7-14.9000111.6Y445 A446 T452 A453Y445-D449 WeakPolarHBondContact O-CB 3.49Å; Y445-D449 PolarHBondContact O-N 2.91Å; A446-D449 PolarHBondContact O-N 3.48Å; D449-T452 PolarHBondContact O-N 3.03Å; D449-A453 VanDerWaalsContact O-CB 3.32Å; D449-A453 WeakPolarHBondContact O-CB 3.49Å; D449-A453 PolarHBondContact O-N 2.99Å
450E73Confident69.6Low137 Ų137110.7 Ų110.764%0.6455%0.551SS**Hα-helixtrans-62.2-47.3174.8-167.8178.3-156.800111.8A446 I448 T452 A453 E454A446-E450 WeakPolarHBondContact O-CB 3.27Å; A446-E450 PolarHBondContact O-N 3.44Å; I448-E450 VanDerWaalsContact C-N 3.34Å; I448-E450 PolarHBondContact O-N 2.85Å; E450-T452 VanDerWaalsContact C-N 3.32Å; E450-T452 PolarHBondContact O-N 3.18Å; E450-A453 PolarHBondContact O-N 3.47Å; E450-E454 PolarHBondContact O-N 3.3Å
451K69.3Low68.4Low146 Ų146116.3 Ų116.364%0.63556%0.564SS**Hα-helixtrans-63.1-37.1174.7-96.3-177.7173.2177.40112.8K447 I448 E454 L455K447-K451 WeakPolarHBondContact O-CB 3.48Å; K447-K451 PolarHBondContact O-N 2.9Å; I448-K451 PolarHBondContact O-N 2.89Å; K451-E454 WeakPolarHBondContact O-CB 3.5Å; K451-E454 PolarHBondContact O-N 2.8Å; K451-L455 WeakPolarHBondContact O-CB 3.32Å; K451-L455 PolarHBondContact O-N 2.96Å
452T69.8Low67.1Low60 Ų60122.4 Ų122.437%0.36859%0.587SS.*Hα-helixtrans-68.8-39178.5-57.10000110.3I448 D449 E450 L455 K456I448-T452 VanDerWaalsContact O-CB 3.27Å; I448-T452 WeakPolarHBondContact O-CB 3.44Å; I448-T452 PolarHBondContact O-N 3.33Å; I448-T452 PolarHBondContact O-OG1 2.84Å; D449-T452 PolarHBondContact O-N 3.03Å; E450-T452 VanDerWaalsContact C-N 3.32Å; E450-T452 PolarHBondContact O-N 3.18Å; T452-L455 PolarHBondContact O-N 3.44Å; T452-K456 WeakPolarHBondContact O-CG 3.27Å; T452-K456 PolarHBondContact O-N 3.29Å
453A70.3Confident65.4Low44 Ų44121.1 Ų121.136%0.36459%0.592SS.*Hα-helixtrans-65.6-39.2172.100000112.1D449 E450 K456 R457D449-A453 VanDerWaalsContact O-CB 3.32Å; D449-A453 WeakPolarHBondContact O-CB 3.49Å; D449-A453 PolarHBondContact O-N 2.99Å; E450-A453 PolarHBondContact O-N 3.47Å; A453-K456 PolarHBondContact O-N 3.43Å; A453-R457 PolarHBondContact O-N 2.67Å
454E67.9Low63.7Low104 Ų104125 Ų12549%0.48662%0.62SS.*Hα-helixtrans-63-44.7173.3-112.7-166.7162.500112.7E450 K451 R457 K458E450-E454 PolarHBondContact O-N 3.3Å; K451-E454 WeakPolarHBondContact O-CB 3.5Å; K451-E454 PolarHBondContact O-N 2.8Å; E454-R457 PolarHBondContact O-N 3.22Å; E454-K458 PolarHBondContact O-N 2.91Å
455L65.6Low63.3Low109 Ų109128.6 Ų128.657%0.57163%0.632SS**Hα-helixtrans-62.3-43175.8-87.5159.4000111.5K451 T452 R457 K458 M459K451-L455 WeakPolarHBondContact O-CB 3.32Å; K451-L455 PolarHBondContact O-N 2.96Å; T452-L455 PolarHBondContact O-N 3.44Å; L455-R457 VanDerWaalsContact C-N 3.32Å; L455-R457 PolarHBondContact O-N 3.27Å; L455-K458 PolarHBondContact O-N 3.48Å; L455-M459 WeakPolarHBondContact O-CG 3.45Å; L455-M459 PolarHBondContact O-N 3.47Å
456K68Low62.8Low142 Ų142126.7 Ų126.762%0.61763%0.632SS**Hα-helixtrans-59.6-39.6173.3-78.5179.5178.5175.90112.3T452 A453 F460T452-K456 WeakPolarHBondContact O-CG 3.27Å; T452-K456 PolarHBondContact O-N 3.29Å; A453-K456 PolarHBondContact O-N 3.43Å; K456-F460 PolarHBondContact O-N 3.42Å
457R65.8Low62.2Low185 Ų185130.6 Ų130.670%0.69864%0.64SS**Hα-helixtrans-66.8-37.8174-75.8-174.2-160.9153.66.3113A453 E454 L455 F460 K461A453-R457 PolarHBondContact O-N 2.67Å; E454-R457 PolarHBondContact O-N 3.22Å; L455-R457 VanDerWaalsContact C-N 3.32Å; L455-R457 PolarHBondContact O-N 3.27Å; R457-F460 PolarHBondContact O-N 2.94Å; R457-K461 PolarHBondContact O-N 3.26Å
458K60.7Low61.6Low140 Ų140129.9 Ų129.961%0.60964%0.642SS**Hα-helixtrans-68.7-37.5177.4-77.6-176.4179.3174.10112.2E454 L455 F460 K461E454-K458 PolarHBondContact O-N 2.91Å; L455-K458 PolarHBondContact O-N 3.48Å; K458-F460 VanDerWaalsContact C-N 3.33Å; K458-F460 PolarHBondContact O-N 3.18Å; K458-K461 PolarHBondContact O-N 3.45Å
459M56.4Low60.9Low137 Ų137131.9 Ų131.968%0.67565%0.65SS**Hα-helixtrans-64.2-36.8175-72.7-176.96600112.6L455 K461 M462 S463L455-M459 WeakPolarHBondContact O-CG 3.45Å; L455-M459 PolarHBondContact O-N 3.47Å; M459-K461 VanDerWaalsContact C-N 3.28Å; M459-K461 PolarHBondContact O-N 3.37Å; M459-M462 PolarHBondContact O-N 3.35Å; M459-S463 PolarHBondContact O-OG 3.33Å
460F52.1Low60.2Low170 Ų170133.7 Ų133.775%0.74666%0.656SS**Hα-helixtrans-69.1-21.1176.8-108.8-85.2000114.3K456 R457 K458K456-F460 PolarHBondContact O-N 3.42Å; R457-F460 PolarHBondContact O-N 2.94Å; K458-F460 VanDerWaalsContact C-N 3.33Å; K458-F460 PolarHBondContact O-N 3.18Å
461K51.8Low59.3Low178 Ų178133.5 Ų133.577%0.77466%0.657SS**THydrogen-bonded Turntrans-83.8-8.8176.4-84.5-173.5174-176.90114.3R457 K458 M459R457-K461 PolarHBondContact O-N 3.26Å; K458-K461 PolarHBondContact O-N 3.45Å; M459-K461 VanDerWaalsContact C-N 3.28Å; M459-K461 PolarHBondContact O-N 3.37Å
462M47Very low58.5Low170 Ų170132.5 Ų132.584%0.83766%0.659SS**THydrogen-bonded Turntrans-96.47.9175.7-81.3-177.935.100113.3M459M459-M462 PolarHBondContact O-N 3.35Å
463S42.7Very low57.6Low95 Ų95138.6 Ų138.666%0.66468%0.683SS**  trans-11115.7-178.3-270000113.8M459M459-S463 PolarHBondContact O-OG 3.33Å
464T42.4Very low56.4Low189 Ų189147.2 Ų147.2100%1.1671%0.712SS**  trans-134.10169.8-14.70000107.9

Retrieved 464 of 464 residues in 124.2 ms (Link to these results)

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