A0A087X8L7_POEFO Loading...

Cationic amino acid transporter 2

AlphaFold DB , UniProt , Accession A0A087X8L7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 655 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
1M60.3Low71.7Confident187 Ų187101.9 Ų101.992%0.92152%0.517SS*.  0-58.90-72.2-170.2175.500113K3 Q4 V5M1-K3 PolarHBondContact O-N 3.47Å; M1-Q4 WeakPolarHBondContact O-CB 3.38Å; M1-Q4 PolarHBondContact O-N 3.21Å; M1-V5 WeakPolarHBondContact O-CG2 3.34Å; M1-V5 PolarHBondContact O-N 3.45Å
2L67.9Low72.4Confident134 Ų13495.8 Ų95.870%0.70249%0.487SS*.Hα-helixtrans-54-48-177.8-148.394.7000113.6Q4 V5 V6L2-Q4 VanDerWaalsContact C-N 3.28Å; L2-Q4 PolarHBondContact O-N 3.05Å; L2-V5 PolarHBondContact O-N 3.29Å; L2-V5 VanDerWaalsContact O-N 3.15Å; L2-V6 VanDerWaalsContact O-CG2 3.26Å; L2-V6 WeakPolarHBondContact O-CG2 3.4Å; L2-V6 PolarHBondContact O-N 3.33Å
3K67.2Low73.3Confident189 Ų18994.2 Ų94.282%0.82248%0.484SS*.Hα-helixtrans-59.5-33.7176.2-70.1-172.2177.6-175.50114M1 S7M1-K3 PolarHBondContact O-N 3.47Å; K3-S7 WeakPolarHBondContact O-CB 3.45Å; K3-S7 PolarHBondContact O-N 3.28Å; K3-S7 PolarHBondContact O-OG 3.26Å
4Q71.4Confident74Confident136 Ų13690.4 Ų90.464%0.63646%0.46SS*.Hα-helixtrans-75-37.4176.7-74170.2-34.200111.6M1 L2 S7 F8M1-Q4 WeakPolarHBondContact O-CB 3.38Å; M1-Q4 PolarHBondContact O-N 3.21Å; L2-Q4 VanDerWaalsContact C-N 3.28Å; L2-Q4 PolarHBondContact O-N 3.05Å; Q4-S7 PolarHBondContact O-OG 3.24Å; Q4-S7 VanDerWaalsContact O-OG 3.07Å; Q4-F8 WeakPolarHBondContact O-CB 3.38Å; Q4-F8 PolarHBondContact O-N 2.92Å
5V73.4Confident74.7Confident96 Ų9689.8 Ų89.858%0.58245%0.45SS*.Hα-helixtrans-67.4-41.1174.6175.30000110.6M1 L2 F8 S9M1-V5 WeakPolarHBondContact O-CG2 3.34Å; M1-V5 PolarHBondContact O-N 3.45Å; L2-V5 PolarHBondContact O-N 3.29Å; L2-V5 VanDerWaalsContact O-N 3.15Å; V5-F8 PolarHBondContact O-N 3.23Å; V5-S9 VanDerWaalsContact O-CB 3.31Å; V5-S9 WeakPolarHBondContact O-CB 3.49Å; V5-S9 PolarHBondContact O-N 3.41Å
6V73Confident75.2Confident32 Ų3286.6 Ų86.619%0.19443%0.433CS..Hα-helixtrans-66.5-44.2176.7174.70000111.2L2 F8 S9 R10 L465L2-V6 VanDerWaalsContact O-CG2 3.26Å; L2-V6 WeakPolarHBondContact O-CG2 3.4Å; L2-V6 PolarHBondContact O-N 3.33Å; V6-F8 VanDerWaalsContact C-N 3.34Å; V6-F8 PolarHBondContact O-N 3.15Å; V6-S9 PolarHBondContact O-N 3.14Å; V6-R10 WeakPolarHBondContact O-CB 3.35Å; V6-R10 PolarHBondContact O-N 3.49Å; V6-L465 HydrophobicContact CB-CD1 4.36Å; V6-L465 HydrophobicContact CG1-CD1 3.9Å; V6-L465 HydrophobicContact CG2-CD1 3.57Å; V6-L465 HydrophobicContact CG2-CD2 4.09Å
7S73.6Confident75.3Confident71 Ų7185.5 Ų85.550%0.49743%0.431SS..Hα-helixtrans-67.3-35.6177.168.80000112.6K3 Q4 S11K3-S7 WeakPolarHBondContact O-CB 3.45Å; K3-S7 PolarHBondContact O-N 3.28Å; K3-S7 PolarHBondContact O-OG 3.26Å; Q4-S7 PolarHBondContact O-OG 3.24Å; Q4-S7 VanDerWaalsContact O-OG 3.07Å; S7-S11 PolarHBondContact O-N 3.36Å
8F77.9Confident75.2Confident103 Ų10381 Ų8145%0.45241%0.409SS..Hα-helixtrans-65.1-47.4172.6-177.7-101.9000111.5Q4 V5 V6 R10 S11 L12 F598 I602Q4-F8 WeakPolarHBondContact O-CB 3.38Å; Q4-F8 PolarHBondContact O-N 2.92Å; V5-F8 PolarHBondContact O-N 3.23Å; V6-F8 VanDerWaalsContact C-N 3.34Å; V6-F8 PolarHBondContact O-N 3.15Å; F8-R10 PolarHBondContact O-N 2.91Å; F8-S11 WeakPolarHBondContact O-CA 3.43Å; F8-S11 VanDerWaalsContact O-CB 3.23Å; F8-S11 WeakPolarHBondContact O-CB 3.45Å; F8-S11 PolarHBondContact O-N 2.87Å; F8-L12 HydrophobicContact CD1-CD1 4.21Å; F8-L12 HydrophobicContact CE1-CD1 3.78Å; F8-L12 HydrophobicContact CE1-CG 4.48Å; F8-L12 HydrophobicContact CZ-CD1 4.31Å; F8-L12 PolarHBondContact O-N 3.46Å; F8-F598 HydrophobicContact CZ-CD1 4.35Å; F8-F598 HydrophobicContact CZ-CE1 4.01Å; F8-I602 HydrophobicContact CD2-CD1 4.34Å; F8-I602 HydrophobicContact CE2-CD1 3.76Å; F8-I602 HydrophobicContact CZ-CD1 4.39Å
9S74.3Confident74.9Confident65 Ų6580.8 Ų80.846%0.45541%0.409SS..Hα-helixtrans-59.8-44.9175.7-174.50000111.7V5 V6 S11 L12 V13V5-S9 VanDerWaalsContact O-CB 3.31Å; V5-S9 WeakPolarHBondContact O-CB 3.49Å; V5-S9 PolarHBondContact O-N 3.41Å; V6-S9 PolarHBondContact O-N 3.14Å; S9-S11 PolarHBondContact O-N 3.21Å; S9-L12 WeakPolarHBondContact O-CB 3.48Å; S9-L12 PolarHBondContact O-N 2.95Å; S9-V13 PolarHBondContact O-N 3.31Å
10R74.2Confident74.4Confident100 Ų10079.1 Ų79.138%0.37740%0.4SS..Hα-helixtrans-59.7-33.4174.7-166.8-176.9-66.4-175.4-2.9112V6 F8 L12 R14 S461V6-R10 WeakPolarHBondContact O-CB 3.35Å; V6-R10 PolarHBondContact O-N 3.49Å; F8-R10 PolarHBondContact O-N 2.91Å; R10-L12 VanDerWaalsContact C-N 3.27Å; R10-L12 PolarHBondContact O-N 3.27Å; R10-R14 WeakPolarHBondContact O-CG 3.42Å; R10-S461 VanDerWaalsContact NE-CB 3.25Å; R10-S461 PolarHBondContact NE-OG 2.96Å; R10-S461 PolarHBondContact NH2-OG 2.96Å
11S75.3Confident73.6Confident8 Ų881 Ų816%0.05641%0.412CS..Hα-helixtrans-66.4-26.2174.9-1690000113.6S7 F8 S9 R14S7-S11 PolarHBondContact O-N 3.36Å; F8-S11 WeakPolarHBondContact O-CA 3.43Å; F8-S11 VanDerWaalsContact O-CB 3.23Å; F8-S11 WeakPolarHBondContact O-CB 3.45Å; F8-S11 PolarHBondContact O-N 2.87Å; S9-S11 PolarHBondContact O-N 3.21Å; S11-R14 PolarHBondContact OG-NH1 3.39Å; S11-R14 PolarHBondContact OG-NH2 2.94Å
12L79.9Confident73.4Confident29 Ų2973.4 Ų73.415%0.15238%0.377CS..Hα-helixtrans-85.6-24.3-178-63.4176.2000113F8 S9 R10 E107 I108 Y597 F598 I602F8-L12 HydrophobicContact CD1-CD1 4.21Å; F8-L12 HydrophobicContact CE1-CD1 3.78Å; F8-L12 HydrophobicContact CE1-CG 4.48Å; F8-L12 HydrophobicContact CZ-CD1 4.31Å; F8-L12 PolarHBondContact O-N 3.46Å; S9-L12 WeakPolarHBondContact O-CB 3.48Å; S9-L12 PolarHBondContact O-N 2.95Å; R10-L12 VanDerWaalsContact C-N 3.27Å; R10-L12 PolarHBondContact O-N 3.27Å; L12-E107 PolarHBondContact O-N 2.89Å; L12-I108 HydrophobicContact CB-CB 4.21Å; L12-I108 HydrophobicContact CB-CG2 4.19Å; L12-I108 HydrophobicContact CD2-CB 4.44Å; L12-I108 HydrophobicContact CD2-CD1 4.45Å; L12-I108 VanDerWaalsContact O-CG2 3.32Å; L12-I108 WeakPolarHBondContact O-CG2 3.41Å; L12-I108 PolarHBondContact O-N 3.27Å; L12-Y597 HydrophobicContact CD2-CE1 3.76Å; L12-F598 HydrophobicContact CD2-CE1 4.08Å; L12-I602 HydrophobicContact CD2-CD1 3.8Å
13V84Confident72.9Confident74 Ų7468.4 Ų68.445%0.44835%0.351SS..SBendtrans-10312.3-174.2-167.70000112S9 R15S9-V13 PolarHBondContact O-N 3.31Å; V13-R15 PolarHBondContact O-N 3.5Å
14R83.2Confident72.1Confident41 Ų4167.8 Ų67.816%0.15535%0.351CS..PPolyproline II helixtrans-58.2132.5177.6-65.8-168.9-171.8112.38.8110.9R10 S11 Y102 G106 E107 R608R10-R14 WeakPolarHBondContact O-CG 3.42Å; S11-R14 PolarHBondContact OG-NH1 3.39Å; S11-R14 PolarHBondContact OG-NH2 2.94Å; R14-Y102 WeakPolarHBondContact O-CE2 3.46Å; R14-G106 CarbonylContact O-C 3.43Å; R14-G106 VanDerWaalsContact O-CA 3.25Å; R14-G106 WeakPolarHBondContact O-CA 3.44Å; R14-E107 HydrophobicContact CB-CB 4.4Å; R14-E107 PolarHBondContact O-N 3.21Å; R14-R608 VanDerWaalsContact NH1-CB 3.3Å
15R84.8Confident71.4Confident82 Ų8267.6 Ų67.631%0.30935%0.354SS..PPolyproline II helixtrans-102.3145.3176.9-66.2180179.9141.93.7110.3V13 Y102 T104 E460V13-R15 PolarHBondContact O-N 3.5Å; R15-Y102 WeakPolarHBondContact CA-O 3.46Å; R15-T104 PolarHBondContact NE-O 3.31Å; R15-E460 IonicContact NH1-OE1 2.72Å; R15-E460 PolarHBondContact NH1-OE1 3.44Å; R15-E460 VanDerWaalsContact NH1-OE1 3.14Å
16K82Confident71.1Confident39 Ų3964.6 Ų64.617%0.1734%0.337CS..PPolyproline II helixtrans-88126.8174.9-178172.7179.2176.90110L99 Y102 V103 D369K16-L99 HydrophobicContact CD-CD1 3.98Å; K16-Y102 HydrophobicContact CB-CD1 3.97Å; K16-Y102 HydrophobicContact CB-CD2 3.78Å; K16-Y102 HydrophobicContact CB-CE1 4.25Å; K16-Y102 HydrophobicContact CB-CE2 4.07Å; K16-Y102 HydrophobicContact CB-CG 3.72Å; K16-Y102 HydrophobicContact CD-CD1 3.87Å; K16-Y102 HydrophobicContact CD-CE1 4.12Å; K16-Y102 HydrophobicContact CD-CG 4.39Å; K16-Y102 PolarHBondContact N-O 2.91Å; K16-Y102 VanDerWaalsContact N-O 3.08Å; K16-V103 HydrophobicContact CB-CG2 4.48Å; K16-D369 IonicContact NZ-OD1 3.22Å; K16-D369 PolarHBondContact NZ-OD1 3.48Å; K16-D369 IonicContact NZ-OD2 2.58Å; K16-D369 PolarHBondContact NZ-OD2 2.99Å
17V78.3Confident71.1Confident67 Ų6768.8 Ų68.841%0.40635%0.353SS..PPolyproline II helixtrans-88.4128170.7-176.50000108.8R441V17-R441 HydrophobicContact CG1-CB 4.2Å
18V73.6Confident71.2Confident5 Ų566 Ų663%0.0333%0.332CS..PPolyproline II helixtrans-102.5118-176.7-177.50000109.7M20 V91 K93 L99 V103V18-M20 HydrophobicContact CG1-SD 4.48Å; V18-M20 PolarHBondContact O-N 2.95Å; V18-V91 HydrophobicContact CG1-CG1 4.39Å; V18-V91 HydrophobicContact CG2-CG1 4.41Å; V18-K93 HydrophobicContact CG1-CD 4.09Å; V18-K93 HydrophobicContact CG1-CG 4.42Å; V18-L99 HydrophobicContact CG2-CD1 4.38Å; V18-V103 HydrophobicContact CG2-CG2 3.46Å; V18-V103 VanDerWaalsContact CG2-CG2 3.46Å
19D68.8Low71.1Confident78 Ų7864.9 Ų64.942%0.41734%0.337SS..  trans-75.1110.5169.9-170.6-12.2000109.9N21 S22D19-N21 VanDerWaalsContact C-N 3.27Å; D19-N21 PolarHBondContact O-N 2.99Å; D19-N21 WeakPolarHBondContact OD1-CB 3.49Å; D19-N21 PolarHBondContact OD1-N 3.5Å; D19-S22 PolarHBondContact O-N 2.65Å; D19-S22 PolarHBondContact O-OG 2.96Å
20M65Low71.5Confident45 Ų4566.5 Ų66.522%0.22233%0.333CS..SBendtrans-70.5-21.3179.1-67.2-63.9-177.600112.9V18 L23 R90 V91V18-M20 HydrophobicContact CG1-SD 4.48Å; V18-M20 PolarHBondContact O-N 2.95Å; M20-L23 WeakPolarHBondContact O-CD1 3.49Å; M20-L23 VanDerWaalsContact O-CG 3.3Å; M20-L23 WeakPolarHBondContact O-CG 3.44Å; M20-R90 WeakPolarHBondContact CE-O 3.37Å; M20-V91 HydrophobicContact CE-CG2 4.18Å
21N57.1Low72Confident121 Ų12163.5 Ų63.565%0.64733%0.327SS*.G310 helixtrans-77.7-27.6178-64.4-22.8000111.7D19 L23 E24D19-N21 VanDerWaalsContact C-N 3.27Å; D19-N21 PolarHBondContact O-N 2.99Å; D19-N21 WeakPolarHBondContact OD1-CB 3.49Å; D19-N21 PolarHBondContact OD1-N 3.5Å; N21-L23 PolarHBondContact O-N 3.34Å; N21-E24 PolarHBondContact O-N 3.43Å
22S56.8Low72.6Confident27 Ų2763.4 Ų63.419%0.18933%0.326CS..G310 helixtrans-68.94.4174.672.70000114.5D19 E24 D25 K93D19-S22 PolarHBondContact O-N 2.65Å; D19-S22 PolarHBondContact O-OG 2.96Å; S22-E24 PolarHBondContact O-N 2.97Å; S22-D25 PolarHBondContact O-N 2.93Å; S22-K93 PolarHBondContact OG-NZ 3.45Å
23L56.2Low73.1Confident28 Ų2863.2 Ų63.215%0.14733%0.331CS..G310 helixtrans-60.2-32.1169.9-76171000110.9M20 N21 D25 R30 P92 K93M20-L23 WeakPolarHBondContact O-CD1 3.49Å; M20-L23 VanDerWaalsContact O-CG 3.3Å; M20-L23 WeakPolarHBondContact O-CG 3.44Å; N21-L23 PolarHBondContact O-N 3.34Å; L23-D25 VanDerWaalsContact C-N 3.33Å; L23-R30 VanDerWaalsContact C-NH2 3.3Å; L23-R30 PolarHBondContact O-NH2 3.48Å; L23-P92 HydrophobicContact CD1-CG 3.99Å; L23-P92 HydrophobicContact CD2-CG 4.01Å; L23-K93 HydrophobicContact CD2-CG 3.92Å
24E51.1Low73.5Confident176 Ų17662.2 Ų62.282%0.82233%0.325SS*.THydrogen-bonded Turntrans-71.8-25.3176.9-62.8-170164.900113.1N21 S22 S26N21-E24 PolarHBondContact O-N 3.43Å; S22-E24 PolarHBondContact O-N 2.97Å; E24-S26 VanDerWaalsContact C-N 3.28Å; E24-S26 PolarHBondContact O-N 3.37Å
25D57.8Low73.9Confident133 Ų13364.9 Ų64.971%0.71135%0.345SS*.THydrogen-bonded Turntrans-87.921.4-179.1-68.2-36.4000114.1S22 L23 K27S22-D25 PolarHBondContact O-N 2.93Å; L23-D25 VanDerWaalsContact C-N 3.33Å; D25-K27 PolarHBondContact O-N 3Å
26S67.1Low74.3Confident33 Ų3362.5 Ų62.523%0.23134%0.339CS..  trans-59.8129.4-179.9179.30000111.6E24 L28E24-S26 VanDerWaalsContact C-N 3.28Å; E24-S26 PolarHBondContact O-N 3.37Å; S26-L28 PolarHBondContact O-N 3.33Å; S26-L28 PolarHBondContact OG-N 2.95Å; S26-L28 VanDerWaalsContact OG-N 3.13Å; S26-L28 PolarHBondContact OG-O 3.18Å
27K71.9Confident74.7Confident120 Ų12060.6 Ų60.652%0.52233%0.331SS..SBendtrans-73.4-14.1173-64.8174-172.8158.40112.3D25 E368 I379D25-K27 PolarHBondContact O-N 3Å; K27-E368 IonicContact NZ-OE1 2.75Å; K27-E368 PolarHBondContact NZ-OE1 3.43Å; K27-I379 HydrophobicContact CB-CD1 3.77Å; K27-I379 HydrophobicContact CD-CD1 4.1Å
28L76.6Confident75.5Confident12 Ų1259.4 Ų59.46%0.06332%0.321CS..SBendtrans-97.2150.1-179-60.1176.3000111.5S26 E278 E279 K384S26-L28 PolarHBondContact O-N 3.33Å; S26-L28 PolarHBondContact OG-N 2.95Å; S26-L28 VanDerWaalsContact OG-N 3.13Å; S26-L28 PolarHBondContact OG-O 3.18Å; L28-E278 HydrophobicContact CB-CB 4.5Å; L28-E278 HydrophobicContact CD1-CB 4.19Å; L28-E279 HydrophobicContact CB-CG 3.88Å; L28-E279 HydrophobicContact CD1-CG 4.24Å; L28-K384 WeakPolarHBondContact CD2-O 3.43Å
29C75.2Confident76.5Confident80 Ų8059.6 Ų59.654%0.54132%0.324SS..  trans-83.7122-177.1-172.50000111.9C31C29-C31 PolarHBondContact O-N 3.12Å; C29-C31 PolarHBondContact O-SG 3.39Å
30R82.5Confident77.5Confident98 Ų9856.5 Ų56.537%0.3731%0.307SS..  trans-73.384.4174.4-70.5-176.6-178.2-172.52.1112.4L23 E278 E279L23-R30 VanDerWaalsContact C-NH2 3.3Å; L23-R30 PolarHBondContact O-NH2 3.48Å; R30-E278 WeakPolarHBondContact CG-O 3.35Å; R30-E279 CarbonylContact C-O 3.51Å; R30-E279 VanDerWaalsContact CA-O 3.32Å; R30-E279 WeakPolarHBondContact CA-O 3.42Å
31C84.9Confident78.9Confident38 Ų3854.4 Ų54.426%0.25730%0.297SS..  trans-115.7-15.3-174.860.20000114.9C29 E279C29-C31 PolarHBondContact O-N 3.12Å; C29-C31 PolarHBondContact O-SG 3.39Å; C31-E279 PolarHBondContact N-O 3.45Å
32L86.9Confident80.7Confident6 Ų648.8 Ų48.83%0.03127%0.267CS..BIsolated β-bridgetrans-90.7137.1-173.8-61.3171.3000112.7D36 L37 A186 T276 E279 V280 K281 F357L32-D36 HydrophobicContact CB-CB 4.48Å; L32-D36 HydrophobicContact CD2-CB 3.89Å; L32-L37 HydrophobicContact CD1-CD2 4.44Å; L32-A186 HydrophobicContact CD2-CB 4.04Å; L32-T276 HydrophobicContact CD1-CG2 4.37Å; L32-E279 HydrophobicContact CD1-CB 3.97Å; L32-E279 HydrophobicContact CG-CB 4.45Å; L32-E279 PolarHBondContact N-O 2.97Å; L32-V280 HydrophobicContact CB-CG2 4.1Å; L32-V280 WeakPolarHBondContact O-CA 3.33Å; L32-K281 PolarHBondContact O-N 3.02Å; L32-F357 HydrophobicContact CD1-CZ 4.41Å
33G90.9Very high82.4Confident25 Ų2547.5 Ų47.526%0.25826%0.258SS..  trans-106.3177.817000000113.1V35 D36 L37G33-V35 VanDerWaalsContact C-N 3.33Å; G33-V35 PolarHBondContact O-N 3.27Å; G33-D36 PolarHBondContact N-OD2 3.21Å; G33-D36 WeakPolarHBondContact O-CB 3.48Å; G33-D36 PolarHBondContact O-N 2.89Å; G33-D36 VanDerWaalsContact O-N 3.13Å; G33-L37 PolarHBondContact O-N 3.32Å; G33-L37 VanDerWaalsContact O-N 3.07Å
34T92.8Very high84Confident52 Ų5246.5 Ų46.532%0.31925%0.253SS..Hα-helixtrans-59.5-39.2-178.2-46.40000113.2D36 L37 I38 A286 I289T34-D36 VanDerWaalsContact C-N 3.32Å; T34-L37 WeakPolarHBondContact O-CB 3.23Å; T34-L37 PolarHBondContact O-N 2.92Å; T34-I38 HydrophobicContact CG2-CD1 4.23Å; T34-I38 WeakPolarHBondContact O-CG1 3.29Å; T34-I38 PolarHBondContact O-N 3.34Å; T34-A286 HydrophobicContact CG2-CB 4.36Å; T34-A286 WeakPolarHBondContact OG1-CB 3.46Å; T34-I289 HydrophobicContact CG2-CB 4.15Å; T34-I289 HydrophobicContact CG2-CG2 3.78Å
35V92.3Very high86Confident97 Ų9738.3 Ų38.359%0.58822%0.215SC*.Hα-helixtrans-67.4-36.7178.3178.40000111.1G33 L37 I38 A39G33-V35 VanDerWaalsContact C-N 3.33Å; G33-V35 PolarHBondContact O-N 3.27Å; V35-L37 VanDerWaalsContact C-N 3.31Å; V35-I38 PolarHBondContact O-N 2.96Å; V35-A39 WeakPolarHBondContact O-CB 3.33Å; V35-A39 PolarHBondContact O-N 2.98Å
36D91.6Very high87.6Confident32 Ų3232 Ų3217%0.17118%0.181CC..Hα-helixtrans-66.2-38.3176.5-51.1-48.4000110.3L32 G33 T34 A39 L40 K190L32-D36 HydrophobicContact CB-CB 4.48Å; L32-D36 HydrophobicContact CD2-CB 3.89Å; G33-D36 PolarHBondContact N-OD2 3.21Å; G33-D36 WeakPolarHBondContact O-CB 3.48Å; G33-D36 PolarHBondContact O-N 2.89Å; G33-D36 VanDerWaalsContact O-N 3.13Å; T34-D36 VanDerWaalsContact C-N 3.32Å; D36-A39 PolarHBondContact O-N 2.97Å; D36-L40 WeakPolarHBondContact O-CB 3.19Å; D36-L40 PolarHBondContact O-N 3.49Å; D36-K190 WeakPolarHBondContact OD1-CE 3.48Å; D36-K190 IonicContact OD1-NZ 3.29Å; D36-K190 PolarHBondContact OD1-NZ 3.08Å
37L92.3Very high88.7Confident0 Ų030.5 Ų30.50%017%0.171CC..Hα-helixtrans-65.9-41174.3-66-176.1000113.2L32 G33 T34 V35 L40 G41 I273 T276 V280 A286 I287L32-L37 HydrophobicContact CD1-CD2 4.44Å; G33-L37 PolarHBondContact O-N 3.32Å; G33-L37 VanDerWaalsContact O-N 3.07Å; T34-L37 WeakPolarHBondContact O-CB 3.23Å; T34-L37 PolarHBondContact O-N 2.92Å; V35-L37 VanDerWaalsContact C-N 3.31Å; L37-L40 PolarHBondContact O-N 3.44Å; L37-G41 PolarHBondContact O-N 3.27Å; L37-I273 HydrophobicContact CB-CG2 4.15Å; L37-I273 HydrophobicContact CD1-CG2 4.04Å; L37-I273 HydrophobicContact CD2-CG2 4.18Å; L37-I273 HydrophobicContact CG-CG2 4.35Å; L37-T276 VanDerWaalsContact CD2-OG1 3.28Å; L37-T276 WeakPolarHBondContact CD2-OG1 3.4Å; L37-V280 HydrophobicContact CD1-CG1 3.99Å; L37-V280 HydrophobicContact CD1-CG2 3.75Å; L37-V280 HydrophobicContact CD2-CG2 3.69Å; L37-V280 HydrophobicContact CG-CG2 4.07Å; L37-A286 HydrophobicContact CD1-CB 3.8Å; L37-I287 HydrophobicContact CD1-CG1 4.38Å
38I94.8Very high89.6Confident41 Ų4124.9 Ų24.921%0.2115%0.147CC..Hα-helixtrans-64.3-46.9175.1-65.8163.6000109.6T34 V35 L40 G41 V42 V293 S294T34-I38 HydrophobicContact CG2-CD1 4.23Å; T34-I38 WeakPolarHBondContact O-CG1 3.29Å; T34-I38 PolarHBondContact O-N 3.34Å; V35-I38 PolarHBondContact O-N 2.96Å; I38-L40 VanDerWaalsContact C-N 3.27Å; I38-L40 PolarHBondContact O-N 2.92Å; I38-G41 PolarHBondContact O-N 3Å; I38-V42 HydrophobicContact CG2-CG2 4.1Å; I38-V42 WeakPolarHBondContact O-CB 3.44Å; I38-V42 VanDerWaalsContact O-CG2 3.29Å; I38-V42 WeakPolarHBondContact O-CG2 3.36Å; I38-V42 PolarHBondContact O-N 3.42Å; I38-V293 HydrophobicContact CD1-CB 4.33Å; I38-V293 HydrophobicContact CD1-CG1 4.07Å; I38-V293 HydrophobicContact CG1-CB 4.34Å; I38-V293 HydrophobicContact CG1-CG1 4.28Å; I38-V293 HydrophobicContact CG2-CG1 4.07Å; I38-S294 PolarHBondContact O-OG 2.94Å
39A93.1Very high90.2Very high10 Ų1024.4 Ų24.48%0.08315%0.145CC..Hα-helixtrans-62.9-35.417800000112.3V35 D36 G43 N189 K190 T193V35-A39 WeakPolarHBondContact O-CB 3.33Å; V35-A39 PolarHBondContact O-N 2.98Å; D36-A39 PolarHBondContact O-N 2.97Å; A39-G43 WeakPolarHBondContact O-CA 3.2Å; A39-G43 PolarHBondContact O-N 3.3Å; A39-N189 PolarHBondContact O-ND2 3.46Å; A39-K190 HydrophobicContact CB-CB 4.48Å; A39-T193 PolarHBondContact O-OG1 3.49Å
40L91.8Very high91Very high13 Ų1320.6 Ų20.67%0.06812%0.119CC..Hα-helixtrans-66.9-48.8174.7-175.270.4000111.2D36 L37 I38 G43 S44 N189 T276 F357D36-L40 WeakPolarHBondContact O-CB 3.19Å; D36-L40 PolarHBondContact O-N 3.49Å; L37-L40 PolarHBondContact O-N 3.44Å; I38-L40 VanDerWaalsContact C-N 3.27Å; I38-L40 PolarHBondContact O-N 2.92Å; L40-G43 PolarHBondContact O-N 2.98Å; L40-S44 WeakPolarHBondContact O-CB 3.38Å; L40-S44 PolarHBondContact O-N 2.97Å; L40-S44 PolarHBondContact O-OG 3.32Å; L40-S44 VanDerWaalsContact O-OG 3.05Å; L40-N189 WeakPolarHBondContact CA-ND2 3.4Å; L40-T276 HydrophobicContact CD2-CG2 3.95Å; L40-F357 HydrophobicContact CD1-CD1 4.03Å; L40-F357 HydrophobicContact CD1-CE1 4.43Å; L40-F357 HydrophobicContact CD1-CG 4.43Å; L40-F357 HydrophobicContact CD2-CD1 3.99Å; L40-F357 HydrophobicContact CD2-CE1 3.93Å
41G93.6Very high91.4Very high0 Ų016 Ų160%010%0.102CC..Hα-helixtrans-67-44.7179.800000113.7L37 I38 G43 S44 T45L37-G41 PolarHBondContact O-N 3.27Å; I38-G41 PolarHBondContact O-N 3Å; G41-G43 VanDerWaalsContact C-N 3.35Å; G41-S44 PolarHBondContact O-OG 2.87Å; G41-T45 WeakPolarHBondContact O-CB 3.06Å; G41-T45 PolarHBondContact O-N 3.22Å; G41-T45 VanDerWaalsContact O-N 3.11Å; G41-T45 PolarHBondContact O-OG1 3.28Å
42V94.6Very high91.7Very high4 Ų414.4 Ų14.42%0.0249%0.09CC..Hα-helixtrans-64.9-42.6174.4175.80000110.3I38 T45 L46 T193 V197 V297I38-V42 HydrophobicContact CG2-CG2 4.1Å; I38-V42 WeakPolarHBondContact O-CB 3.44Å; I38-V42 VanDerWaalsContact O-CG2 3.29Å; I38-V42 WeakPolarHBondContact O-CG2 3.36Å; I38-V42 PolarHBondContact O-N 3.42Å; V42-T45 PolarHBondContact O-N 3.45Å; V42-L46 HydrophobicContact CG1-CD1 3.48Å; V42-L46 VanDerWaalsContact CG1-CD1 3.48Å; V42-L46 HydrophobicContact CG1-CG 4.14Å; V42-L46 VanDerWaalsContact O-CB 3.25Å; V42-L46 WeakPolarHBondContact O-CB 3.31Å; V42-L46 PolarHBondContact O-N 2.83Å; V42-T193 HydrophobicContact CB-CG2 3.88Å; V42-T193 HydrophobicContact CG1-CG2 3.67Å; V42-V197 HydrophobicContact CG1-CG2 3.92Å; V42-V297 HydrophobicContact CG1-CG1 4.13Å; V42-V297 HydrophobicContact CG2-CB 4.15Å; V42-V297 HydrophobicContact CG2-CG1 4.07Å
43G91.9Very high91.7Very high0 Ų014.3 Ų14.30%09%0.09CC..Hα-helixtrans-66.6-40.6-179.600000113.6A39 L40 G41 T350 S351A39-G43 WeakPolarHBondContact O-CA 3.2Å; A39-G43 PolarHBondContact O-N 3.3Å; L40-G43 PolarHBondContact O-N 2.98Å; G41-G43 VanDerWaalsContact C-N 3.35Å; G43-T350 VanDerWaalsContact CA-CG2 3.46Å; G43-S351 WeakPolarHBondContact O-CA 3.49Å; G43-S351 WeakPolarHBondContact O-CB 3.31Å; G43-S351 PolarHBondContact O-N 3.37Å
44S91Very high91.8Very high6 Ų613.1 Ų13.14%0.0428%0.078CC..Hα-helixtrans-67.8-41.4176.461.70000111.7L40 G41 G269 C272 S351L40-S44 WeakPolarHBondContact O-CB 3.38Å; L40-S44 PolarHBondContact O-N 2.97Å; L40-S44 PolarHBondContact O-OG 3.32Å; L40-S44 VanDerWaalsContact O-OG 3.05Å; G41-S44 PolarHBondContact O-OG 2.87Å; S44-G269 VanDerWaalsContact OG-C 3.29Å; S44-G269 WeakPolarHBondContact OG-CA 3.36Å; S44-G269 PolarHBondContact OG-O 3.25Å; S44-C272 PolarHBondContact OG-SG 3.38Å; S44-S351 PolarHBondContact O-OG 2.87Å
45T92.3Very high91.7Very high4 Ų410.7 Ų10.73%0.0256%0.063CC..Hα-helixtrans-81-40.5-173.5-50.10000112.3G41 V42 G47 A266 F270 C298 Y302G41-T45 WeakPolarHBondContact O-CB 3.06Å; G41-T45 PolarHBondContact O-N 3.22Å; G41-T45 VanDerWaalsContact O-N 3.11Å; G41-T45 PolarHBondContact O-OG1 3.28Å; V42-T45 PolarHBondContact O-N 3.45Å; T45-G47 PolarHBondContact O-N 2.94Å; T45-A266 WeakPolarHBondContact CG2-O 3.39Å; T45-A266 VanDerWaalsContact O-O 3.11Å; T45-F270 PolarHBondContact OG1-N 3.01Å; T45-C298 VanDerWaalsContact CB-SG 3.59Å; T45-C298 HydrophobicContact CG2-CB 3.98Å; T45-Y302 HydrophobicContact CG2-CE2 4.3Å; T45-Y302 PolarHBondContact O-OH 2.96Å
46L92.6Very high91.5Very high1 Ų17.2 Ų7.21%0.0054%0.041CC..SBendtrans-84.374.9177.8-65.7-179.9000111.8V42 N196 V197 L200 C298 A301 Y302V42-L46 HydrophobicContact CG1-CD1 3.48Å; V42-L46 VanDerWaalsContact CG1-CD1 3.48Å; V42-L46 HydrophobicContact CG1-CG 4.14Å; V42-L46 VanDerWaalsContact O-CB 3.25Å; V42-L46 WeakPolarHBondContact O-CB 3.31Å; V42-L46 PolarHBondContact O-N 2.83Å; L46-N196 WeakPolarHBondContact CB-ND2 3.16Å; L46-N196 PolarHBondContact O-ND2 3.13Å; L46-V197 HydrophobicContact CD1-CG2 4.48Å; L46-L200 HydrophobicContact CD1-CD1 3.82Å; L46-L200 HydrophobicContact CD2-CD1 4.23Å; L46-L200 HydrophobicContact CG-CD1 4.45Å; L46-C298 HydrophobicContact CD2-CB 4.2Å; L46-A301 HydrophobicContact CD1-CB 4.27Å; L46-A301 HydrophobicContact CD2-CB 3.94Å; L46-Y302 HydrophobicContact CD2-CD2 4.14Å; L46-Y302 HydrophobicContact CD2-CE2 3.65Å
47G89.9Confident91.5Very high1 Ų15.7 Ų5.71%0.013%0.032CC..SBendtrans-126.5-130.5179.500000113.3T45 G49 V50 Y51 S351T45-G47 PolarHBondContact O-N 2.94Å; G47-G49 PolarHBondContact O-N 3.01Å; G47-V50 PolarHBondContact O-N 3.5Å; G47-Y51 WeakPolarHBondContact O-CD2 3.26Å; G47-Y51 PolarHBondContact O-N 3.46Å; G47-S351 VanDerWaalsContact CA-CB 3.47Å
48A89.5Confident91.5Very high3 Ų35.7 Ų5.73%0.0253%0.032CC..Hα-helixtrans-56.3-26.8-178.200000113.3V50 V52 L53 V128 A131 Y265 L348A48-V50 PolarHBondContact O-N 2.74Å; A48-V52 WeakPolarHBondContact O-CB 3.48Å; A48-V52 PolarHBondContact O-N 3.45Å; A48-L53 PolarHBondContact O-N 3.21Å; A48-V128 HydrophobicContact CB-CG2 4.28Å; A48-A131 HydrophobicContact CB-CB 3.61Å; A48-Y265 HydrophobicContact CB-CE1 4.28Å; A48-L348 HydrophobicContact CB-CD2 3.97Å
49G89.8Confident91.4Very high1 Ų15.7 Ų5.71%0.013%0.031CC..Iπ-helixtrans-55.4-47176.400000113.7G47 L53 A54G47-G49 PolarHBondContact O-N 3.01Å; G49-L53 WeakPolarHBondContact O-CB 3.43Å; G49-A54 PolarHBondContact O-N 3.15Å; G49-A54 VanDerWaalsContact O-N 3.09Å
50V92Very high91.2Very high0 Ų07.1 Ų7.10%05%0.046CC..Iπ-helixtrans-87.4-34-173.170.40000111.5G47 A48 L200 Y302 V305G47-V50 PolarHBondContact O-N 3.5Å; A48-V50 PolarHBondContact O-N 2.74Å; V50-L200 HydrophobicContact CG1-CD1 4.29Å; V50-L200 HydrophobicContact CG1-CD2 4.17Å; V50-L200 HydrophobicContact CG2-CD2 4.2Å; V50-Y302 VanDerWaalsContact CA-CE1 3.47Å; V50-Y302 HydrophobicContact CB-CD1 3.79Å; V50-Y302 HydrophobicContact CB-CE1 3.3Å; V50-Y302 HydrophobicContact CG1-CE1 4.46Å; V50-Y302 HydrophobicContact CG2-CD1 3.94Å; V50-Y302 HydrophobicContact CG2-CE1 4Å; V50-V305 HydrophobicContact CG2-CB 3.84Å; V50-V305 HydrophobicContact CG2-CG1 3.79Å; V50-V305 HydrophobicContact CG2-CG2 3.94Å
51Y91.6Very high90.9Very high3 Ų38.6 Ų8.61%0.0125%0.054CC..Iπ-helixtrans-88.1-26.8-172.4-74.8-79.5000113.8G47 N196 L200 P323 L324 S344 A347G47-Y51 WeakPolarHBondContact O-CD2 3.26Å; G47-Y51 PolarHBondContact O-N 3.46Å; Y51-N196 WeakPolarHBondContact CE2-OD1 3.43Å; Y51-N196 PolarHBondContact OH-OD1 3.26Å; Y51-L200 HydrophobicContact CE1-CD2 3.97Å; Y51-L200 HydrophobicContact CE2-CD2 3.97Å; Y51-L200 VanDerWaalsContact CZ-CD2 3.46Å; Y51-L200 VanDerWaalsContact OH-CD2 3.25Å; Y51-L200 WeakPolarHBondContact OH-CD2 3.29Å; Y51-L200 WeakPolarHBondContact OH-CG 3.48Å; Y51-P323 VanDerWaalsContact O-CD 3.25Å; Y51-P323 WeakPolarHBondContact O-CD 3.44Å; Y51-P323 VanDerWaalsContact O-CG 3.22Å; Y51-P323 WeakPolarHBondContact O-CG 3.11Å; Y51-L324 HydrophobicContact CD1-CD1 3.58Å; Y51-L324 HydrophobicContact CE1-CD1 3.95Å; Y51-L324 HydrophobicContact CG-CD1 4.35Å; Y51-S344 WeakPolarHBondContact CD1-OG 3.4Å; Y51-S344 VanDerWaalsContact CE1-OG 3.27Å; Y51-S344 WeakPolarHBondContact CE1-OG 3.49Å; Y51-A347 HydrophobicContact CD2-CB 3.85Å; Y51-A347 HydrophobicContact CE2-CB 3.19Å
52V89.9Confident90.8Very high3 Ų38.6 Ų8.62%0.0185%0.054CC..Iπ-helixtrans-124.3-58.5-174.6-174.30000110.5A48 A54 G55 E56 A131 E320 K321 L406A48-V52 WeakPolarHBondContact O-CB 3.48Å; A48-V52 PolarHBondContact O-N 3.45Å; V52-A54 VanDerWaalsContact C-N 3.28Å; V52-A54 PolarHBondContact O-N 2.94Å; V52-G55 PolarHBondContact O-N 3.49Å; V52-E56 PolarHBondContact O-N 3.07Å; V52-A131 HydrophobicContact CG2-CB 4Å; V52-E320 VanDerWaalsContact CG1-O 3.26Å; V52-E320 WeakPolarHBondContact CG1-O 3.47Å; V52-K321 WeakPolarHBondContact CG2-O 3.47Å; V52-L406 HydrophobicContact CG1-CD2 3.7Å
53L88.6Confident90.8Very high4 Ų48.4 Ų8.42%0.0215%0.053CC..Iπ-helixtrans-62.2-33.9-172-171.467.6000113.1A48 G49 G55 E56 V57 T262 Y265 V410A48-L53 PolarHBondContact O-N 3.21Å; G49-L53 WeakPolarHBondContact O-CB 3.43Å; L53-G55 PolarHBondContact O-N 3Å; L53-E56 PolarHBondContact O-N 3.03Å; L53-V57 HydrophobicContact CD1-CG2 3.8Å; L53-V57 HydrophobicContact CG-CG2 3.82Å; L53-V57 WeakPolarHBondContact O-CB 3.45Å; L53-V57 WeakPolarHBondContact O-CG2 3.32Å; L53-V57 PolarHBondContact O-N 2.85Å; L53-T262 HydrophobicContact CD1-CG2 3.87Å; L53-T262 HydrophobicContact CD2-CG2 4.27Å; L53-T262 HydrophobicContact CG-CG2 4.41Å; L53-Y265 HydrophobicContact CD2-CD1 3.55Å; L53-Y265 HydrophobicContact CD2-CE1 4.4Å; L53-Y265 HydrophobicContact CD2-CG 4.18Å; L53-V410 HydrophobicContact CD1-CG1 4.3Å; L53-V410 HydrophobicContact CD2-CG1 4.23Å
54A92.1Very high91Very high0 Ų08.4 Ų8.40%05%0.053CC..Hα-helixtrans-58-35.1176.500000112.8G49 V52 A58 I66 F70G49-A54 PolarHBondContact O-N 3.15Å; G49-A54 VanDerWaalsContact O-N 3.09Å; V52-A54 VanDerWaalsContact C-N 3.28Å; V52-A54 PolarHBondContact O-N 2.94Å; A54-A58 WeakPolarHBondContact O-CB 3.44Å; A54-A58 PolarHBondContact O-N 2.97Å; A54-I66 HydrophobicContact CB-CD1 4.39Å; A54-I66 WeakPolarHBondContact O-CD1 3.46Å; A54-F70 HydrophobicContact CB-CE2 4.1Å; A54-F70 HydrophobicContact CB-CZ 4.22Å
55G91.1Very high91.2Very high1 Ų18.1 Ų8.11%0.015%0.051CC..Hα-helixtrans-73.6-47.6175.300000112.4V52 L53 V57 A58 K59V52-G55 PolarHBondContact O-N 3.49Å; L53-G55 PolarHBondContact O-N 3Å; G55-V57 PolarHBondContact O-N 2.85Å; G55-A58 PolarHBondContact O-N 3.25Å; G55-K59 WeakPolarHBondContact O-CB 3.46Å; G55-K59 PolarHBondContact O-N 2.84Å
56E88.5Confident91.4Very high25 Ų258 Ų812%0.1175%0.05CC..Hα-helixtrans-58-49179.6-169.8-169.715200111.8V52 L53 K59 G60 K407V52-E56 PolarHBondContact O-N 3.07Å; L53-E56 PolarHBondContact O-N 3.03Å; E56-K59 PolarHBondContact O-N 3.09Å; E56-G60 PolarHBondContact O-N 3.42Å; E56-K407 WeakPolarHBondContact OE1-CD 3.34Å; E56-K407 WeakPolarHBondContact OE1-CG 3.4Å; E56-K407 IonicContact OE1-NZ 2.81Å; E56-K407 PolarHBondContact OE1-NZ 2.93Å
57V90.6Very high91.5Very high0 Ų08.4 Ų8.40%05%0.053CC..Hα-helixtrans-71.8-32.8-178.61760000111.9L53 G55 D61 S62 I66 T262L53-V57 HydrophobicContact CD1-CG2 3.8Å; L53-V57 HydrophobicContact CG-CG2 3.82Å; L53-V57 WeakPolarHBondContact O-CB 3.45Å; L53-V57 WeakPolarHBondContact O-CG2 3.32Å; L53-V57 PolarHBondContact O-N 2.85Å; G55-V57 PolarHBondContact O-N 2.85Å; V57-D61 HydrophobicContact CG1-CB 4.23Å; V57-D61 PolarHBondContact O-N 3.17Å; V57-D61 VanDerWaalsContact O-N 3.09Å; V57-S62 PolarHBondContact O-N 3.22Å; V57-S62 PolarHBondContact O-OG 2.97Å; V57-I66 HydrophobicContact CB-CD1 4Å; V57-I66 HydrophobicContact CG1-CD1 4.08Å; V57-I66 HydrophobicContact CG1-CG1 4.35Å; V57-T262 HydrophobicContact CG2-CG2 3.66Å
58A93.3Very high91.8Very high0 Ų011.3 Ų11.30%07%0.068CC..Iπ-helixtrans-68.1-40.6174.400000110.5A54 G55 G63 I66 T310 L318A54-A58 WeakPolarHBondContact O-CB 3.44Å; A54-A58 PolarHBondContact O-N 2.97Å; G55-A58 PolarHBondContact O-N 3.25Å; A58-G63 WeakPolarHBondContact O-CA 3.2Å; A58-G63 PolarHBondContact O-N 3.17Å; A58-I66 HydrophobicContact CB-CB 4.4Å; A58-I66 HydrophobicContact CB-CD1 3.9Å; A58-I66 HydrophobicContact CB-CG2 4.21Å; A58-T310 HydrophobicContact CB-CG2 4.13Å; A58-L318 HydrophobicContact CB-CD1 3.62Å
59K92.2Very high92Very high40 Ų4011.1 Ų11.117%0.1747%0.066CC..Iπ-helixtrans-71.1-49.1178.5-177.1175.4179.2-168.60112.7G55 E56 Y251 Y315 L318 E320G55-K59 WeakPolarHBondContact O-CB 3.46Å; G55-K59 PolarHBondContact O-N 2.84Å; E56-K59 PolarHBondContact O-N 3.09Å; K59-Y251 PolarHBondContact O-OH 3.47Å; K59-Y315 WeakPolarHBondContact CA-O 3.46Å; K59-Y315 WeakPolarHBondContact CB-O 3.35Å; K59-L318 HydrophobicContact CB-CB 4.47Å; K59-L318 VanDerWaalsContact CD-O 3.25Å; K59-L318 WeakPolarHBondContact CD-O 3.23Å; K59-L318 PolarHBondContact NZ-O 3.12Å; K59-E320 HydrophobicContact CD-CG 4.3Å; K59-E320 IonicContact NZ-OE1 3.76Å; K59-E320 PolarHBondContact NZ-OE1 2.96Å
60G87.7Confident92.3Very high40 Ų4011.1 Ų11.141%0.4127%0.066SC..Iπ-helixtrans-90.1-35.1-168.100000115.9E56E56-G60 PolarHBondContact O-N 3.42Å
61D86.9Confident92.4Very high44 Ų4414.1 Ų14.124%0.2358%0.082CC..Iπ-helixtrans-121.1-39-163.7-57.5-44.4000114.2V57 Y251 G255V57-D61 HydrophobicContact CG1-CB 4.23Å; V57-D61 PolarHBondContact O-N 3.17Å; V57-D61 VanDerWaalsContact O-N 3.09Å; D61-Y251 VanDerWaalsContact O-CB 3.23Å; D61-Y251 WeakPolarHBondContact O-CB 3.48Å; D61-Y251 WeakPolarHBondContact O-CD2 3.31Å; D61-G255 CarbonylContact O-C 3.42Å; D61-G255 VanDerWaalsContact O-C 3.24Å; D61-G255 WeakPolarHBondContact O-CA 3.48Å
62S91.6Very high92.4Very high0 Ų016 Ų160%09%0.092CC..Iπ-helixtrans-126-21.7-16560.50000115.4V57 S65 I66V57-S62 PolarHBondContact O-N 3.22Å; V57-S62 PolarHBondContact O-OG 2.97Å; S62-S65 WeakPolarHBondContact O-CB 3.48Å; S62-S65 PolarHBondContact O-N 3.17Å; S62-S65 PolarHBondContact O-OG 3.23Å; S62-I66 WeakPolarHBondContact OG-CA 3.13Å; S62-I66 VanDerWaalsContact OG-CB 3.27Å; S62-I66 WeakPolarHBondContact OG-CB 3.23Å
63G93.9Very high92.5Very high0 Ų015.9 Ų15.90%09%0.091CC..G310 helixtrans61.9-147.5-173.300000112.4A58 S65 I66A58-G63 WeakPolarHBondContact O-CA 3.2Å; A58-G63 PolarHBondContact O-N 3.17Å; G63-S65 PolarHBondContact O-N 3.38Å; G63-S65 VanDerWaalsContact O-N 3.15Å; G63-I66 WeakPolarHBondContact O-CB 3.3Å; G63-I66 WeakPolarHBondContact O-CG2 3.27Å; G63-I66 PolarHBondContact O-N 2.91Å; G63-I66 VanDerWaalsContact O-N 3.16Å
64P95.4Very high92.8Very high0 Ų015.9 Ų15.90%09%0.091CC..G310 helixtrans-58.1-23.5173.2-2737.5000114.6I66 V67 W216 F248 Y315P64-I66 PolarHBondContact O-N 2.97Å; P64-I66 VanDerWaalsContact O-N 3.09Å; P64-V67 PolarHBondContact O-N 3.01Å; P64-W216 HydrophobicContact CB-CD2 4.34Å; P64-W216 HydrophobicContact CB-CG 3.92Å; P64-W216 HydrophobicContact CG-CG 4.33Å; P64-F248 HydrophobicContact CB-CD2 3.64Å; P64-F248 HydrophobicContact CB-CE2 3.96Å; P64-F248 HydrophobicContact CB-CG 4.4Å; P64-F248 WeakPolarHBondContact O-CE2 3.49Å; P64-Y315 HydrophobicContact CG-CD1 4.18Å
65S96.1Very high92.8Very high0 Ų020.8 Ų20.80%012%0.117CC..G310 helixtrans-68.2-4.3177.679.50000114.2S62 G63 V67 I68 S69 F248 T256S62-S65 WeakPolarHBondContact O-CB 3.48Å; S62-S65 PolarHBondContact O-N 3.17Å; S62-S65 PolarHBondContact O-OG 3.23Å; G63-S65 PolarHBondContact O-N 3.38Å; G63-S65 VanDerWaalsContact O-N 3.15Å; S65-V67 PolarHBondContact O-N 3.45Å; S65-I68 WeakPolarHBondContact O-CA 3.41Å; S65-I68 WeakPolarHBondContact O-CB 3.3Å; S65-I68 PolarHBondContact O-N 3.1Å; S65-S69 PolarHBondContact O-N 3.47Å; S65-S69 VanDerWaalsContact O-N 3.11Å; S65-F248 VanDerWaalsContact CB-O 3.32Å; S65-F248 WeakPolarHBondContact CB-O 3.34Å; S65-F248 PolarHBondContact N-O 2.85Å; S65-T256 WeakPolarHBondContact CB-OG1 3.03Å; S65-T256 PolarHBondContact OG-OG1 3.25Å
66I95.8Very high92.9Very high1 Ų120.8 Ų20.81%0.00512%0.117CC..Hα-helixtrans-50.6-29.6171-167.5169.6000112.9A54 V57 A58 S62 G63 P64 I68 S69 F70 T310A54-I66 HydrophobicContact CB-CD1 4.39Å; A54-I66 WeakPolarHBondContact O-CD1 3.46Å; V57-I66 HydrophobicContact CB-CD1 4Å; V57-I66 HydrophobicContact CG1-CD1 4.08Å; V57-I66 HydrophobicContact CG1-CG1 4.35Å; A58-I66 HydrophobicContact CB-CB 4.4Å; A58-I66 HydrophobicContact CB-CD1 3.9Å; A58-I66 HydrophobicContact CB-CG2 4.21Å; S62-I66 WeakPolarHBondContact OG-CA 3.13Å; S62-I66 VanDerWaalsContact OG-CB 3.27Å; S62-I66 WeakPolarHBondContact OG-CB 3.23Å; G63-I66 WeakPolarHBondContact O-CB 3.3Å; G63-I66 WeakPolarHBondContact O-CG2 3.27Å; G63-I66 PolarHBondContact O-N 2.91Å; G63-I66 VanDerWaalsContact O-N 3.16Å; P64-I66 PolarHBondContact O-N 2.97Å; P64-I66 VanDerWaalsContact O-N 3.09Å; I66-I68 VanDerWaalsContact C-N 3.29Å; I66-I68 PolarHBondContact O-N 2.87Å; I66-S69 WeakPolarHBondContact O-CB 3.49Å; I66-S69 PolarHBondContact O-N 2.87Å; I66-S69 VanDerWaalsContact O-N 3.13Å; I66-F70 HydrophobicContact CD1-CD2 4.23Å; I66-F70 HydrophobicContact CD1-CE2 3.65Å; I66-F70 HydrophobicContact CG1-CD2 3.72Å; I66-F70 HydrophobicContact CG1-CE2 3.67Å; I66-F70 WeakPolarHBondContact O-CD2 3.41Å; I66-F70 PolarHBondContact O-N 2.85Å; I66-T310 HydrophobicContact CG2-CG2 3.82Å
67V95.9Very high93.1Very high10 Ų1019.6 Ų19.66%0.06111%0.111CC..Hα-helixtrans-60.9-39.6175.6-179.30000111.2P64 S65 L71 W216 F303 A307P64-V67 PolarHBondContact O-N 3.01Å; S65-V67 PolarHBondContact O-N 3.45Å; V67-L71 PolarHBondContact O-N 3.46Å; V67-L71 VanDerWaalsContact O-N 3.17Å; V67-W216 HydrophobicContact CG2-CZ2 4.45Å; V67-F303 HydrophobicContact CG1-CD1 4.47Å; V67-F303 HydrophobicContact CG1-CD2 3.59Å; V67-F303 HydrophobicContact CG1-CE1 4.11Å; V67-F303 HydrophobicContact CG1-CE2 3.17Å; V67-F303 HydrophobicContact CG1-CG 4.23Å; V67-F303 HydrophobicContact CG1-CZ 3.46Å; V67-F303 VanDerWaalsContact CG1-CZ 3.46Å; V67-A307 HydrophobicContact CG2-CB 3.9Å
68I95.8Very high93.3Very high62 Ų6222.1 Ų22.132%0.31813%0.127SC..Hα-helixtrans-72.6-39.4173.2-60.1-175.6000110.2S65 I66 F70 L71 I72 F248 T256S65-I68 WeakPolarHBondContact O-CA 3.41Å; S65-I68 WeakPolarHBondContact O-CB 3.3Å; S65-I68 PolarHBondContact O-N 3.1Å; I66-I68 VanDerWaalsContact C-N 3.29Å; I66-I68 PolarHBondContact O-N 2.87Å; I68-F70 VanDerWaalsContact C-N 3.34Å; I68-F70 PolarHBondContact O-N 2.9Å; I68-L71 WeakPolarHBondContact O-CB 3.45Å; I68-L71 PolarHBondContact O-N 3.19Å; I68-L71 VanDerWaalsContact O-N 3.11Å; I68-I72 HydrophobicContact CG2-CD1 3.93Å; I68-I72 HydrophobicContact CG2-CG1 4.32Å; I68-I72 WeakPolarHBondContact O-CG1 3.43Å; I68-I72 PolarHBondContact O-N 3.5Å; I68-F248 HydrophobicContact CD1-CE1 3.67Å; I68-F248 HydrophobicContact CD1-CZ 4.38Å; I68-F248 HydrophobicContact CG1-CE1 4.09Å; I68-F248 HydrophobicContact CG1-CZ 4.34Å; I68-T256 HydrophobicContact CB-CG2 3.97Å; I68-T256 HydrophobicContact CG2-CG2 3.96Å
69S94.4Very high93.3Very high0 Ų023.3 Ų23.30%013%0.132CC..Hα-helixtrans-56.8-46.5176.1-57.10000111.9S65 I66 I72 A73 T256 A260S65-S69 PolarHBondContact O-N 3.47Å; S65-S69 VanDerWaalsContact O-N 3.11Å; I66-S69 WeakPolarHBondContact O-CB 3.49Å; I66-S69 PolarHBondContact O-N 2.87Å; I66-S69 VanDerWaalsContact O-N 3.13Å; S69-I72 PolarHBondContact O-N 3.01Å; S69-A73 WeakPolarHBondContact O-CB 3.5Å; S69-A73 PolarHBondContact O-N 3.17Å; S69-T256 WeakPolarHBondContact OG-CG2 3.49Å; S69-T256 PolarHBondContact OG-O 2.64Å; S69-A260 WeakPolarHBondContact O-CB 3.48Å
70F94.9Very high93.3Very high0 Ų021.4 Ų21.40%013%0.125CC..Hα-helixtrans-66.8-34.3174.6-84.2-63.4000113.1A54 I66 I68 A73 A74 C263 A266 F267 Y302 S306A54-F70 HydrophobicContact CB-CE2 4.1Å; A54-F70 HydrophobicContact CB-CZ 4.22Å; I66-F70 HydrophobicContact CD1-CD2 4.23Å; I66-F70 HydrophobicContact CD1-CE2 3.65Å; I66-F70 HydrophobicContact CG1-CD2 3.72Å; I66-F70 HydrophobicContact CG1-CE2 3.67Å; I66-F70 WeakPolarHBondContact O-CD2 3.41Å; I66-F70 PolarHBondContact O-N 2.85Å; I68-F70 VanDerWaalsContact C-N 3.34Å; I68-F70 PolarHBondContact O-N 2.9Å; F70-A73 PolarHBondContact O-N 3.24Å; F70-A74 WeakPolarHBondContact O-CB 3.38Å; F70-A74 PolarHBondContact O-N 3.28Å; F70-C263 HydrophobicContact CD1-CB 3.74Å; F70-C263 HydrophobicContact CE1-CB 3.66Å; F70-C263 HydrophobicContact CG-CB 4.28Å; F70-C263 HydrophobicContact CZ-CB 4.16Å; F70-C263 VanDerWaalsContact CZ-SG 3.56Å; F70-A266 HydrophobicContact CE1-CB 3.61Å; F70-A266 HydrophobicContact CZ-CB 4.42Å; F70-F267 AromaticContact CD1-CE2 3.85Å; F70-F267 HydrophobicContact CD1-CE2 3.85Å; F70-Y302 AromaticContact CD1-CD1 3.99Å; F70-Y302 HydrophobicContact CD1-CD1 3.99Å; F70-Y302 HydrophobicContact CD1-CG 4.04Å; F70-Y302 AromaticContact CE1-CD1 3.48Å; F70-Y302 HydrophobicContact CE1-CD1 3.48Å; F70-Y302 VanDerWaalsContact CE1-CD1 3.48Å; F70-Y302 HydrophobicContact CE1-CE1 4.01Å; F70-Y302 AromaticContact CE1-CG 3.99Å; F70-Y302 HydrophobicContact CE1-CG 3.99Å; F70-Y302 AromaticContact CZ-CD1 3.81Å; F70-Y302 HydrophobicContact CZ-CD1 3.81Å; F70-Y302 HydrophobicContact CZ-CE1 4.34Å; F70-S306 WeakPolarHBondContact CD2-OG 3.44Å; F70-S306 WeakPolarHBondContact CE2-OG 3.41Å
71L94.6Very high93.7Very high63 Ų6319.5 Ų19.533%0.3311%0.105SC..Hα-helixtrans-62.6-46173.9178.164.4000111.4V67 I68 A74 L75 F299V67-L71 PolarHBondContact O-N 3.46Å; V67-L71 VanDerWaalsContact O-N 3.17Å; I68-L71 WeakPolarHBondContact O-CB 3.45Å; I68-L71 PolarHBondContact O-N 3.19Å; I68-L71 VanDerWaalsContact O-N 3.11Å; L71-A74 PolarHBondContact O-N 3.46Å; L71-L75 HydrophobicContact CD1-CD1 4.47Å; L71-L75 HydrophobicContact CG-CD1 4.37Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 3.37Å; L71-F299 HydrophobicContact CD1-CE2 3.6Å; L71-F299 HydrophobicContact CD1-CZ 3.75Å
72I92.3Very high94Very high43 Ų4318.7 Ų18.722%0.22110%0.1CC..Hα-helixtrans-62.1-47.6177.1-65.8168.6000110.3I68 S69 A74 L75 A76 A260I68-I72 HydrophobicContact CG2-CD1 3.93Å; I68-I72 HydrophobicContact CG2-CG1 4.32Å; I68-I72 WeakPolarHBondContact O-CG1 3.43Å; I68-I72 PolarHBondContact O-N 3.5Å; S69-I72 PolarHBondContact O-N 3.01Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 2.86Å; I72-L75 PolarHBondContact O-N 3.06Å; I72-A76 PolarHBondContact O-N 3.02Å; I72-A260 HydrophobicContact CB-CB 4.01Å; I72-A260 HydrophobicContact CD1-CB 4.48Å; I72-A260 HydrophobicContact CG2-CB 3.97Å
73A92.1Very high94.2Very high0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-61.2-39.2177.800000112.7S69 F70 A76 S77 C263 F267S69-A73 WeakPolarHBondContact O-CB 3.5Å; S69-A73 PolarHBondContact O-N 3.17Å; F70-A73 PolarHBondContact O-N 3.24Å; A73-A76 PolarHBondContact O-N 3.4Å; A73-S77 WeakPolarHBondContact O-CB 3.43Å; A73-S77 PolarHBondContact O-N 3.37Å; A73-S77 PolarHBondContact O-OG 3.46Å; A73-C263 HydrophobicContact CB-CB 4.19Å; A73-F267 HydrophobicContact CB-CD2 3.84Å; A73-F267 HydrophobicContact CB-CE2 3.94Å
74A94.1Very high94.2Very high4 Ų418.7 Ų18.73%0.03310%0.1CC..Hα-helixtrans-65.5-44.9176.700000111.8F70 L71 I72 A76 S77 V78 F267 F299F70-A74 WeakPolarHBondContact O-CB 3.38Å; F70-A74 PolarHBondContact O-N 3.28Å; L71-A74 PolarHBondContact O-N 3.46Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 2.86Å; A74-A76 VanDerWaalsContact C-N 3.35Å; A74-A76 PolarHBondContact O-N 3.36Å; A74-S77 PolarHBondContact O-N 3.5Å; A74-V78 WeakPolarHBondContact O-CB 3.37Å; A74-V78 VanDerWaalsContact O-CG2 3.31Å; A74-V78 WeakPolarHBondContact O-CG2 3.17Å; A74-V78 PolarHBondContact O-N 3.25Å; A74-F267 HydrophobicContact CB-CE1 3.87Å; A74-F267 HydrophobicContact CB-CE2 3.81Å; A74-F267 HydrophobicContact CB-CZ 3.42Å; A74-F267 VanDerWaalsContact CB-CZ 3.42Å; A74-F299 HydrophobicContact CB-CB 4.17Å; A74-F299 HydrophobicContact CB-CD2 3.34Å; A74-F299 HydrophobicContact CB-CE2 4.07Å; A74-F299 HydrophobicContact CB-CG 4.04Å
75L92.7Very high94Very high103 Ų10318.7 Ų18.754%0.53910%0.1SC..Hα-helixtrans-61.2-44.5177.7-71.6172000111.1L71 I72 S77 V78 M79L71-L75 HydrophobicContact CD1-CD1 4.47Å; L71-L75 HydrophobicContact CG-CD1 4.37Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 3.37Å; I72-L75 PolarHBondContact O-N 3.06Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 3.42Å; L75-V78 PolarHBondContact O-N 2.98Å; L75-M79 WeakPolarHBondContact O-CE 3.34Å; L75-M79 WeakPolarHBondContact O-CG 3.12Å; L75-M79 PolarHBondContact O-N 3.33Å; L75-M79 VanDerWaalsContact O-N 3.12Å
76A91.7Very high93.9Very high1 Ų118.7 Ų18.71%0.00810%0.1CC..Hα-helixtrans-55.8-47.3173.900000111.7I72 A73 A74 M79 A80 F264 V570 L574I72-A76 PolarHBondContact O-N 3.02Å; A73-A76 PolarHBondContact O-N 3.4Å; A74-A76 VanDerWaalsContact C-N 3.35Å; A74-A76 PolarHBondContact O-N 3.36Å; A76-M79 PolarHBondContact O-N 2.87Å; A76-A80 PolarHBondContact O-N 2.86Å; A76-A80 VanDerWaalsContact O-N 3.13Å; A76-F264 HydrophobicContact CB-CD2 4.34Å; A76-F264 HydrophobicContact CB-CE2 4.29Å; A76-V570 HydrophobicContact CB-CG1 3.54Å; A76-L574 HydrophobicContact CB-CD1 4.29Å
77S93.4Very high93.5Very high0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-71.1-35.8-177-57.10000113.2A73 A74 L75 A80 G81 F267A73-S77 WeakPolarHBondContact O-CB 3.43Å; A73-S77 PolarHBondContact O-N 3.37Å; A73-S77 PolarHBondContact O-OG 3.46Å; A74-S77 PolarHBondContact O-N 3.5Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 3.42Å; S77-A80 PolarHBondContact O-N 3.01Å; S77-G81 WeakPolarHBondContact O-CA 3.32Å; S77-G81 PolarHBondContact O-N 3.43Å; S77-F267 WeakPolarHBondContact OG-CB 3.44Å
78V94.1Very high93.1Very high53 Ų5318.2 Ų18.232%0.32110%0.097SC..Hα-helixtrans-64.4-43.7173.9168.70000110.5A74 L75 A80 G81 L82 L295A74-V78 WeakPolarHBondContact O-CB 3.37Å; A74-V78 VanDerWaalsContact O-CG2 3.31Å; A74-V78 WeakPolarHBondContact O-CG2 3.17Å; A74-V78 PolarHBondContact O-N 3.25Å; L75-V78 PolarHBondContact O-N 2.98Å; V78-A80 PolarHBondContact O-N 2.6Å; V78-G81 PolarHBondContact O-N 3Å; V78-L82 HydrophobicContact CG1-CD1 4.05Å; V78-L82 HydrophobicContact CG1-CG 4.36Å; V78-L82 VanDerWaalsContact O-CG 3.23Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 3.49Å; V78-L295 HydrophobicContact CG2-CB 4.36Å
79M93.7Very high92.7Very high25 Ų2515.6 Ų15.612%0.1239%0.085CC..Hα-helixtrans-61.6-44.5177.2-68-176.1-68.400112.1L75 A76 C83 L563 L566 V570L75-M79 WeakPolarHBondContact O-CE 3.34Å; L75-M79 WeakPolarHBondContact O-CG 3.12Å; L75-M79 PolarHBondContact O-N 3.33Å; L75-M79 VanDerWaalsContact O-N 3.12Å; A76-M79 PolarHBondContact O-N 2.87Å; M79-C83 PolarHBondContact O-N 3Å; M79-C83 PolarHBondContact O-SG 2.8Å; M79-C83 VanDerWaalsContact O-SG 3.33Å; M79-L563 HydrophobicContact CB-CD2 4.06Å; M79-L563 HydrophobicContact CG-CD2 4.34Å; M79-L563 HydrophobicContact CG-CG 4.4Å; M79-L566 HydrophobicContact CE-CD2 4.42Å; M79-L566 HydrophobicContact CE-CG 4.16Å; M79-L566 HydrophobicContact SD-CB 4.1Å; M79-L566 HydrophobicContact SD-CD2 3.54Å; M79-L566 VanDerWaalsContact SD-CD2 3.54Å; M79-L566 HydrophobicContact SD-CG 3.62Å; M79-V570 HydrophobicContact CE-CB 4.29Å; M79-V570 HydrophobicContact CE-CG2 4Å
80A93.3Very high92.3Very high1 Ų117.2 Ų17.21%0.0089%0.091CC..Hα-helixtrans-62.9-46.3173.500000111.4A76 S77 V78 L82 C83 Y84 F270 Y421A76-A80 PolarHBondContact O-N 2.86Å; A76-A80 VanDerWaalsContact O-N 3.13Å; S77-A80 PolarHBondContact O-N 3.01Å; V78-A80 PolarHBondContact O-N 2.6Å; A80-L82 VanDerWaalsContact C-N 3.32Å; A80-L82 PolarHBondContact O-N 3.35Å; A80-C83 WeakPolarHBondContact O-CA 3.39Å; A80-C83 WeakPolarHBondContact O-CB 3.42Å; A80-C83 PolarHBondContact O-N 3.23Å; A80-Y84 WeakPolarHBondContact O-CD2 3.38Å; A80-Y84 PolarHBondContact O-N 3.37Å; A80-F270 HydrophobicContact CB-CZ 4.19Å; A80-Y421 HydrophobicContact CB-CD2 3.47Å; A80-Y421 VanDerWaalsContact CB-CD2 3.47Å; A80-Y421 HydrophobicContact CB-CE2 4.22Å; A80-Y421 HydrophobicContact CB-CG 3.88Å
81G94.7Very high91.8Very high0 Ų017.3 Ų17.30%09%0.091CC..Hα-helixtrans-57.9-39.3179.500000113.6S77 V78 C83 Y84 A85 F270 I291S77-G81 WeakPolarHBondContact O-CA 3.32Å; S77-G81 PolarHBondContact O-N 3.43Å; V78-G81 PolarHBondContact O-N 3Å; G81-C83 VanDerWaalsContact C-N 3.34Å; G81-C83 PolarHBondContact O-N 3.2Å; G81-Y84 PolarHBondContact O-N 3.16Å; G81-A85 WeakPolarHBondContact O-CB 3.42Å; G81-A85 PolarHBondContact O-N 3.27Å; G81-F270 VanDerWaalsContact CA-CE2 3.49Å; G81-I291 WeakPolarHBondContact O-CG2 3.35Å
82L94.8Very high91.2Very high26 Ų2614.5 Ų14.514%0.1368%0.077CC..Hα-helixtrans-63.9-40.1174.4-65.7167.6000111.4V78 A80 A85 E86 V292 F555 V557 L563V78-L82 HydrophobicContact CG1-CD1 4.05Å; V78-L82 HydrophobicContact CG1-CG 4.36Å; V78-L82 VanDerWaalsContact O-CG 3.23Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 3.49Å; A80-L82 VanDerWaalsContact C-N 3.32Å; A80-L82 PolarHBondContact O-N 3.35Å; L82-A85 WeakPolarHBondContact O-CB 3.18Å; L82-A85 PolarHBondContact O-N 3.43Å; L82-E86 PolarHBondContact O-N 3.24Å; L82-E86 VanDerWaalsContact O-N 3.08Å; L82-V292 HydrophobicContact CD2-CG2 3.97Å; L82-F555 HydrophobicContact CD2-CE1 4.29Å; L82-F555 HydrophobicContact CD2-CZ 3.61Å; L82-V557 HydrophobicContact CB-CG2 4.26Å; L82-V557 WeakPolarHBondContact O-CG2 3.32Å; L82-L563 HydrophobicContact CD1-CD1 3.81Å
83C94.4Very high90.8Very high0 Ų014.4 Ų14.40%08%0.075CC..Hα-helixtrans-63.2-43.9174.8-610000111.4M79 A80 G81 A85 E86 F87 V424 V428M79-C83 PolarHBondContact O-N 3Å; M79-C83 PolarHBondContact O-SG 2.8Å; M79-C83 VanDerWaalsContact O-SG 3.33Å; A80-C83 WeakPolarHBondContact O-CA 3.39Å; A80-C83 WeakPolarHBondContact O-CB 3.42Å; A80-C83 PolarHBondContact O-N 3.23Å; G81-C83 VanDerWaalsContact C-N 3.34Å; G81-C83 PolarHBondContact O-N 3.2Å; C83-A85 VanDerWaalsContact C-N 3.34Å; C83-A85 PolarHBondContact O-N 3.32Å; C83-E86 PolarHBondContact O-N 3.24Å; C83-F87 PolarHBondContact O-N 3.17Å; C83-F87 VanDerWaalsContact O-N 3.1Å; C83-V424 HydrophobicContact CB-CG1 4.31Å; C83-V428 HydrophobicContact CB-CG2 3.96Å; C83-V428 WeakPolarHBondContact O-CG2 3.16Å
84Y93.5Very high90.3Very high1 Ų114.7 Ų14.70%0.0048%0.077CC..Hα-helixtrans-62.1-39.6173.6-89.5-99.6000112.8A80 G81 F87 G88 S96 A97 Y100 F270 D271 A274 Y421 V424A80-Y84 WeakPolarHBondContact O-CD2 3.38Å; A80-Y84 PolarHBondContact O-N 3.37Å; G81-Y84 PolarHBondContact O-N 3.16Å; Y84-F87 PolarHBondContact O-N 3.29Å; Y84-G88 PolarHBondContact O-N 2.84Å; Y84-S96 WeakPolarHBondContact CE1-OG 3.44Å; Y84-A97 HydrophobicContact CE1-CB 4.12Å; Y84-A97 WeakPolarHBondContact OH-CB 3.23Å; Y84-Y100 HydrophobicContact CD1-CE2 4.07Å; Y84-Y100 HydrophobicContact CE1-CE2 4.43Å; Y84-F270 AromaticContact CD2-CE2 3.85Å; Y84-F270 HydrophobicContact CD2-CE2 3.85Å; Y84-F270 HydrophobicContact CD2-CZ 4.29Å; Y84-F270 HydrophobicContact CE2-CE2 4.41Å; Y84-F270 AromaticContact CG-CE2 3.9Å; Y84-F270 HydrophobicContact CG-CE2 3.9Å; Y84-D271 HydrophobicContact CD1-CB 4.25Å; Y84-D271 HydrophobicContact CE1-CB 3.79Å; Y84-A274 HydrophobicContact CD1-CB 3.96Å; Y84-Y421 AromaticContact CE2-CD1 3.41Å; Y84-Y421 HydrophobicContact CE2-CD1 3.41Å; Y84-Y421 VanDerWaalsContact CE2-CD1 3.41Å; Y84-Y421 AromaticContact CE2-CE1 3.79Å; Y84-Y421 HydrophobicContact CE2-CE1 3.79Å; Y84-Y421 HydrophobicContact CE2-CG 4.08Å; Y84-Y421 AromaticContact CZ-CD1 3.67Å; Y84-Y421 AromaticContact CZ-CE1 3.8Å; Y84-Y421 VanDerWaalsContact OH-CD1 3.23Å; Y84-Y421 WeakPolarHBondContact OH-CD1 2.99Å; Y84-Y421 WeakPolarHBondContact OH-CE1 3.2Å; Y84-V424 HydrophobicContact CD2-CB 4.12Å; Y84-V424 HydrophobicContact CD2-CG1 3.71Å; Y84-V424 HydrophobicContact CD2-CG2 4.39Å; Y84-V424 HydrophobicContact CE1-CG2 4.11Å; Y84-V424 HydrophobicContact CE2-CB 3.71Å; Y84-V424 HydrophobicContact CE2-CG1 3.82Å; Y84-V424 HydrophobicContact CE2-CG2 3.69Å; Y84-V424 HydrophobicContact CG-CG1 4.12Å
85A92.9Very high89.3Confident0 Ų014.5 Ų14.50%08%0.075CC..Hα-helixtrans-62.8-44.9179.100000111.6G81 L82 C83 A89 P288 I291 F555G81-A85 WeakPolarHBondContact O-CB 3.42Å; G81-A85 PolarHBondContact O-N 3.27Å; L82-A85 WeakPolarHBondContact O-CB 3.18Å; L82-A85 PolarHBondContact O-N 3.43Å; C83-A85 VanDerWaalsContact C-N 3.34Å; C83-A85 PolarHBondContact O-N 3.32Å; A85-A89 WeakPolarHBondContact O-CB 3.42Å; A85-A89 PolarHBondContact O-N 3.11Å; A85-P288 HydrophobicContact CB-CB 4.04Å; A85-P288 HydrophobicContact CB-CG 4.49Å; A85-I291 HydrophobicContact CB-CD1 4.24Å; A85-F555 HydrophobicContact CB-CD1 3.71Å; A85-F555 HydrophobicContact CB-CE1 3.69Å; A85-F555 HydrophobicContact CB-CG 4.47Å; A85-F555 HydrophobicContact CB-CZ 4.44Å
86E92.1Very high89Confident0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-64.9-47176.3172.1172.8165.700111.7L82 C83 A89 R90 R432 F555 V557L82-E86 PolarHBondContact O-N 3.24Å; L82-E86 VanDerWaalsContact O-N 3.08Å; C83-E86 PolarHBondContact O-N 3.24Å; E86-A89 PolarHBondContact O-N 3.39Å; E86-R90 WeakPolarHBondContact O-CG 3.28Å; E86-R90 PolarHBondContact O-N 3Å; E86-R90 VanDerWaalsContact O-N 3.13Å; E86-R90 IonicContact OE1-CZ 2.82Å; E86-R90 IonicContact OE1-NE 3.6Å; E86-R90 PolarHBondContact OE1-NE 3.39Å; E86-R90 VanDerWaalsContact OE1-NE 3.15Å; E86-R90 IonicContact OE1-NH2 2.69Å; E86-R90 PolarHBondContact OE1-NH2 3.43Å; E86-R432 IonicContact OE1-CZ 3.94Å; E86-R432 IonicContact OE1-NE 2.77Å; E86-R432 PolarHBondContact OE1-NE 3.14Å; E86-R432 IonicContact OE1-NH2 3.61Å; E86-R432 PolarHBondContact OE1-NH2 3.47Å; E86-R432 IonicContact OE2-CZ 3.06Å; E86-R432 IonicContact OE2-NE 2.78Å; E86-R432 IonicContact OE2-NH2 2.8Å; E86-R432 PolarHBondContact OE2-NH2 3.3Å; E86-F555 HydrophobicContact CB-CD1 4.08Å; E86-F555 HydrophobicContact CB-CE1 4.47Å; E86-V557 HydrophobicContact CB-CG2 3.76Å; E86-V557 VanDerWaalsContact OE2-CB 3.29Å; E86-V557 WeakPolarHBondContact OE2-CB 3.37Å; E86-V557 VanDerWaalsContact OE2-CG2 3.31Å; E86-V557 WeakPolarHBondContact OE2-CG2 3.27Å; E86-V557 PolarHBondContact OE2-N 3.42Å
87F89.1Confident88.9Confident0 Ų09.6 Ų9.60%05%0.049CC..Hα-helixtrans-66.5-43-177.9-147.9-61.2000111.3C83 Y84 A89 R90 V91 Y100 T104 C427 V428 L431C83-F87 PolarHBondContact O-N 3.17Å; C83-F87 VanDerWaalsContact O-N 3.1Å; Y84-F87 PolarHBondContact O-N 3.29Å; F87-A89 VanDerWaalsContact C-N 3.27Å; F87-A89 PolarHBondContact O-N 3.21Å; F87-R90 WeakPolarHBondContact O-CA 3.41Å; F87-R90 WeakPolarHBondContact O-CB 3.27Å; F87-R90 PolarHBondContact O-N 3.42Å; F87-V91 HydrophobicContact CD1-CB 4.21Å; F87-V91 HydrophobicContact CD1-CG2 4.09Å; F87-V91 HydrophobicContact CE1-CB 3.99Å; F87-V91 HydrophobicContact CE1-CG2 3.58Å; F87-V91 HydrophobicContact CZ-CG2 4.5Å; F87-V91 PolarHBondContact O-N 3.34Å; F87-Y100 HydrophobicContact CB-CD2 3.83Å; F87-Y100 HydrophobicContact CB-CE1 4.48Å; F87-Y100 HydrophobicContact CB-CE2 3.81Å; F87-Y100 HydrophobicContact CB-CG 4.2Å; F87-Y100 AromaticContact CD1-CD1 3.02Å; F87-Y100 HydrophobicContact CD1-CD1 3.02Å; F87-Y100 AromaticContact CD1-CD2 3.76Å; F87-Y100 HydrophobicContact CD1-CD2 3.76Å; F87-Y100 AromaticContact CD1-CE1 3.43Å; F87-Y100 HydrophobicContact CD1-CE1 3.43Å; F87-Y100 VanDerWaalsContact CD1-CE1 3.43Å; F87-Y100 HydrophobicContact CD1-CE2 4.11Å; F87-Y100 AromaticContact CD1-CG 3.21Å; F87-Y100 HydrophobicContact CD1-CG 3.21Å; F87-Y100 AromaticContact CD1-CZ 3.95Å; F87-Y100 HydrophobicContact CD2-CD2 4.37Å; F87-Y100 HydrophobicContact CD2-CG 4.16Å; F87-Y100 AromaticContact CE1-CD1 3.24Å; F87-Y100 HydrophobicContact CE1-CD1 3.24Å; F87-Y100 HydrophobicContact CE1-CD2 4.43Å; F87-Y100 HydrophobicContact CE1-CE1 4.03Å; F87-Y100 AromaticContact CE1-CG 3.49Å; F87-Y100 HydrophobicContact CE1-CG 3.49Å; F87-Y100 VanDerWaalsContact CE1-CG 3.49Å; F87-Y100 HydrophobicContact CE2-CG 4.39Å; F87-Y100 AromaticContact CG-CD1 3.87Å; F87-Y100 HydrophobicContact CG-CD1 3.87Å; F87-Y100 AromaticContact CG-CD2 3.71Å; F87-Y100 HydrophobicContact CG-CD2 3.71Å; F87-Y100 HydrophobicContact CG-CE1 4.25Å; F87-Y100 HydrophobicContact CG-CE2 4.12Å; F87-Y100 AromaticContact CG-CG 3.58Å; F87-Y100 HydrophobicContact CG-CG 3.58Å; F87-Y100 HydrophobicContact CZ-CD1 4.22Å; F87-Y100 HydrophobicContact CZ-CG 4.08Å; F87-T104 HydrophobicContact CE2-CG2 3.8Å; F87-T104 HydrophobicContact CZ-CG2 3.78Å; F87-C427 HydrophobicContact CD2-CB 4.1Å; F87-C427 HydrophobicContact CE2-CB 3.68Å; F87-V428 HydrophobicContact CB-CG2 4.24Å; F87-V428 HydrophobicContact CD2-CG2 3.95Å; F87-L431 HydrophobicContact CD2-CD2 4.03Å; F87-L431 HydrophobicContact CE2-CD2 3.75Å; F87-L431 HydrophobicContact CZ-CD2 4.11Å
88G87.7Confident89Confident0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-64.3-29.4176.500000113.6Y84 R90 Y100Y84-G88 PolarHBondContact O-N 2.84Å; G88-R90 VanDerWaalsContact C-N 3.34Å; G88-Y100 WeakPolarHBondContact CA-OH 3.47Å; G88-Y100 PolarHBondContact N-OH 2.81Å
89A86.6Confident88.7Confident7 Ų77.3 Ų7.36%0.0584%0.035CC..Hα-helixtrans-71.5-28.7170.900000113.1A85 E86 F87 Q284 P288 F555A85-A89 WeakPolarHBondContact O-CB 3.42Å; A85-A89 PolarHBondContact O-N 3.11Å; E86-A89 PolarHBondContact O-N 3.39Å; F87-A89 VanDerWaalsContact C-N 3.27Å; F87-A89 PolarHBondContact O-N 3.21Å; A89-Q284 WeakPolarHBondContact CB-O 3.45Å; A89-P288 HydrophobicContact CB-CG 3.82Å; A89-F555 HydrophobicContact CB-CB 4.35Å
90R85.1Confident88.6Confident35 Ų356.1 Ų6.113%0.1323%0.03CC..Hα-helixtrans-83.9-42.6-179.5-74.9179.5-175.8-1402.1113.4M20 E86 F87 G88 P92 V553M20-R90 WeakPolarHBondContact CE-O 3.37Å; E86-R90 WeakPolarHBondContact O-CG 3.28Å; E86-R90 PolarHBondContact O-N 3Å; E86-R90 VanDerWaalsContact O-N 3.13Å; E86-R90 IonicContact OE1-CZ 2.82Å; E86-R90 IonicContact OE1-NE 3.6Å; E86-R90 PolarHBondContact OE1-NE 3.39Å; E86-R90 VanDerWaalsContact OE1-NE 3.15Å; E86-R90 IonicContact OE1-NH2 2.69Å; E86-R90 PolarHBondContact OE1-NH2 3.43Å; F87-R90 WeakPolarHBondContact O-CA 3.41Å; F87-R90 WeakPolarHBondContact O-CB 3.27Å; F87-R90 PolarHBondContact O-N 3.42Å; G88-R90 VanDerWaalsContact C-N 3.34Å; R90-P92 WeakPolarHBondContact O-CD 3.28Å; R90-V553 HydrophobicContact CG-CB 4.15Å; R90-V553 HydrophobicContact CG-CG1 3.61Å; R90-V553 HydrophobicContact CG-CG2 4.22Å
91V84.5Confident88.5Confident1 Ų16.1 Ų6.11%0.0063%0.029CC..  trans-125.978.3-176.3-169.90000108.8V18 M20 F87 K93 L99 L439V18-V91 HydrophobicContact CG1-CG1 4.39Å; V18-V91 HydrophobicContact CG2-CG1 4.41Å; M20-V91 HydrophobicContact CE-CG2 4.18Å; F87-V91 HydrophobicContact CD1-CB 4.21Å; F87-V91 HydrophobicContact CD1-CG2 4.09Å; F87-V91 HydrophobicContact CE1-CB 3.99Å; F87-V91 HydrophobicContact CE1-CG2 3.58Å; F87-V91 HydrophobicContact CZ-CG2 4.5Å; F87-V91 PolarHBondContact O-N 3.34Å; V91-K93 PolarHBondContact O-N 2.88Å; V91-L99 HydrophobicContact CG1-CD2 3.83Å; V91-L99 HydrophobicContact CG1-CG 4.41Å; V91-L439 HydrophobicContact CG2-CD2 3.92Å
92P82.3Confident88.3Confident4 Ų46.1 Ų6.13%0.0263%0.029CC..  trans-80.355-174.134.1-36.3000112L23 R90 G277 P283 Q284L23-P92 HydrophobicContact CD1-CG 3.99Å; L23-P92 HydrophobicContact CD2-CG 4.01Å; R90-P92 WeakPolarHBondContact O-CD 3.28Å; P92-G277 CarbonylContact O-C 3.6Å; P92-P283 HydrophobicContact CB-CB 3.55Å; P92-P283 HydrophobicContact CB-CG 3.51Å; P92-P283 HydrophobicContact CG-CG 4.19Å; P92-Q284 HydrophobicContact CG-CG 4.5Å
93K83.8Confident87.9Confident41 Ų415.2 Ų5.218%0.1783%0.025CC..SBendtrans-115162.2177.5-75.7-137.8177.9-157.80111.1V18 S22 L23 V91 L99V18-K93 HydrophobicContact CG1-CD 4.09Å; V18-K93 HydrophobicContact CG1-CG 4.42Å; S22-K93 PolarHBondContact OG-NZ 3.45Å; L23-K93 HydrophobicContact CD2-CG 3.92Å; V91-K93 PolarHBondContact O-N 2.88Å; K93-L99 HydrophobicContact CB-CD2 3.39Å; K93-L99 HydrophobicContact CG-CD2 4.5Å
94T81.2Confident87.4Confident7 Ų75.3 Ų5.34%0.0433%0.025CC..THydrogen-bonded Turntrans-74.4144.1-179.9-73.80000110.6T275 E278 R361T94-T275 PolarHBondContact OG1-O 3.28Å; T94-E278 PolarHBondContact N-OE1 3.22Å; T94-E278 WeakPolarHBondContact OG1-CB 3.22Å; T94-R361 HydrophobicContact CG2-CB 3.71Å; T94-R361 HydrophobicContact CG2-CG 4.41Å
95G73.9Confident87.1Confident0 Ų06.7 Ų6.70%03%0.034CC..THydrogen-bonded Turntrans121.2-11.9-179.400000114.4A97 Y98G95-A97 PolarHBondContact O-N 2.88Å; G95-Y98 WeakPolarHBondContact O-CB 3.41Å; G95-Y98 PolarHBondContact O-N 2.66Å; G95-Y98 VanDerWaalsContact O-N 3.12Å
96S87.4Confident86.8Confident0 Ų06.7 Ų6.70%03%0.034CC..Hα-helixtrans47.5-131.2173.1-172.60000111.5Y84 Y98 L99 Y100 A274 T275Y84-S96 WeakPolarHBondContact CE1-OG 3.44Å; S96-Y98 VanDerWaalsContact C-N 3.25Å; S96-Y98 PolarHBondContact O-N 3.37Å; S96-Y98 VanDerWaalsContact O-N 3.15Å; S96-L99 PolarHBondContact O-N 2.96Å; S96-Y100 WeakPolarHBondContact O-CD1 3.36Å; S96-Y100 WeakPolarHBondContact O-CE1 3.4Å; S96-Y100 PolarHBondContact O-N 2.99Å; S96-A274 WeakPolarHBondContact OG-CB 3.3Å; S96-T275 WeakPolarHBondContact CB-OG1 3.1Å
97A89.4Confident86.7Confident0 Ų06.8 Ų6.80%03%0.034CC..Hα-helixtrans-55.8-32.3-177.300000114.8Y84 G95 Y100 S101 T113 L117 V424Y84-A97 HydrophobicContact CE1-CB 4.12Å; Y84-A97 WeakPolarHBondContact OH-CB 3.23Å; G95-A97 PolarHBondContact O-N 2.88Å; A97-Y100 PolarHBondContact O-N 3.1Å; A97-S101 WeakPolarHBondContact O-CB 3.3Å; A97-S101 PolarHBondContact O-N 3.49Å; A97-S101 PolarHBondContact O-OG 2.92Å; A97-T113 VanDerWaalsContact C-CG2 3.49Å; A97-T113 HydrophobicContact CB-CG2 3.44Å; A97-T113 VanDerWaalsContact CB-CG2 3.44Å; A97-L117 HydrophobicContact CB-CD1 3.9Å; A97-V424 HydrophobicContact CB-CG2 3.36Å
98Y93.7Very high86.8Confident1 Ų17.8 Ų7.80%0.0044%0.039CC..Hα-helixtrans-57.9-51.9174.4159.6-99.4000110.7G95 S96 Y100 S101 Y102 A110 A365 M366 D369 V371G95-Y98 WeakPolarHBondContact O-CB 3.41Å; G95-Y98 PolarHBondContact O-N 2.66Å; G95-Y98 VanDerWaalsContact O-N 3.12Å; S96-Y98 VanDerWaalsContact C-N 3.25Å; S96-Y98 PolarHBondContact O-N 3.37Å; S96-Y98 VanDerWaalsContact O-N 3.15Å; Y98-Y100 VanDerWaalsContact C-N 3.31Å; Y98-Y100 PolarHBondContact O-N 3.34Å; Y98-S101 PolarHBondContact O-N 3.47Å; Y98-Y102 HydrophobicContact CE1-CD1 4.27Å; Y98-Y102 HydrophobicContact CE2-CD1 4.27Å; Y98-Y102 AromaticContact CZ-CD1 3.71Å; Y98-Y102 PolarHBondContact O-N 2.95Å; Y98-Y102 VanDerWaalsContact OH-CD1 3.3Å; Y98-Y102 WeakPolarHBondContact OH-CD1 3.3Å; Y98-Y102 VanDerWaalsContact OH-CE1 3.3Å; Y98-Y102 WeakPolarHBondContact OH-CE1 3.18Å; Y98-A110 HydrophobicContact CD2-CB 4.01Å; Y98-A110 VanDerWaalsContact CD2-O 3.25Å; Y98-A110 WeakPolarHBondContact CD2-O 3.35Å; Y98-A110 HydrophobicContact CE2-CB 3.88Å; Y98-A365 HydrophobicContact CD1-CB 4.37Å; Y98-A365 HydrophobicContact CE1-CB 4.35Å; Y98-M366 HydrophobicContact CD1-CG 4.08Å; Y98-M366 HydrophobicContact CD2-CE 4.36Å; Y98-M366 HydrophobicContact CD2-CG 3.68Å; Y98-M366 HydrophobicContact CD2-SD 4.26Å; Y98-M366 HydrophobicContact CE1-CG 4.01Å; Y98-M366 HydrophobicContact CE2-CE 4.37Å; Y98-M366 HydrophobicContact CE2-CG 3.63Å; Y98-M366 HydrophobicContact CG-CG 3.93Å; Y98-D369 VanDerWaalsContact CE1-OD2 3.3Å; Y98-D369 WeakPolarHBondContact CE1-OD2 3.28Å; Y98-D369 VanDerWaalsContact OH-CB 3.23Å; Y98-D369 WeakPolarHBondContact OH-CB 3.11Å; Y98-D369 PolarHBondContact OH-OD2 3.48Å; Y98-V371 HydrophobicContact CE2-CG2 4.08Å; Y98-V371 WeakPolarHBondContact OH-CG2 3.28Å
99L89.8Confident86.9Confident4 Ų412 Ų122%0.0216%0.058CC..Hα-helixtrans-65.3-39.6179.6-178.364.5000110.7K16 V18 V91 K93 S96 S101 Y102 V103K16-L99 HydrophobicContact CD-CD1 3.98Å; V18-L99 HydrophobicContact CG2-CD1 4.38Å; V91-L99 HydrophobicContact CG1-CD2 3.83Å; V91-L99 HydrophobicContact CG1-CG 4.41Å; K93-L99 HydrophobicContact CB-CD2 3.39Å; K93-L99 HydrophobicContact CG-CD2 4.5Å; S96-L99 PolarHBondContact O-N 2.96Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 3.32Å; L99-Y102 PolarHBondContact O-N 3.09Å; L99-Y102 VanDerWaalsContact O-N 3.16Å; L99-V103 HydrophobicContact CD1-CG2 4.07Å; L99-V103 HydrophobicContact CG-CG2 4.36Å; L99-V103 VanDerWaalsContact O-CG2 3.29Å; L99-V103 WeakPolarHBondContact O-CG2 3.19Å; L99-V103 PolarHBondContact O-N 2.73Å
100Y90.4Very high87.2Confident1 Ų111.6 Ų11.60%0.0046%0.055CC..Hα-helixtrans-60.6-45.1-179.5-55.6-13000111.5Y84 F87 G88 S96 A97 Y98 T104 V424Y84-Y100 HydrophobicContact CD1-CE2 4.07Å; Y84-Y100 HydrophobicContact CE1-CE2 4.43Å; F87-Y100 HydrophobicContact CB-CD2 3.83Å; F87-Y100 HydrophobicContact CB-CE1 4.48Å; F87-Y100 HydrophobicContact CB-CE2 3.81Å; F87-Y100 HydrophobicContact CB-CG 4.2Å; F87-Y100 AromaticContact CD1-CD1 3.02Å; F87-Y100 HydrophobicContact CD1-CD1 3.02Å; F87-Y100 AromaticContact CD1-CD2 3.76Å; F87-Y100 HydrophobicContact CD1-CD2 3.76Å; F87-Y100 AromaticContact CD1-CE1 3.43Å; F87-Y100 HydrophobicContact CD1-CE1 3.43Å; F87-Y100 VanDerWaalsContact CD1-CE1 3.43Å; F87-Y100 HydrophobicContact CD1-CE2 4.11Å; F87-Y100 AromaticContact CD1-CG 3.21Å; F87-Y100 HydrophobicContact CD1-CG 3.21Å; F87-Y100 AromaticContact CD1-CZ 3.95Å; F87-Y100 HydrophobicContact CD2-CD2 4.37Å; F87-Y100 HydrophobicContact CD2-CG 4.16Å; F87-Y100 AromaticContact CE1-CD1 3.24Å; F87-Y100 HydrophobicContact CE1-CD1 3.24Å; F87-Y100 HydrophobicContact CE1-CD2 4.43Å; F87-Y100 HydrophobicContact CE1-CE1 4.03Å; F87-Y100 AromaticContact CE1-CG 3.49Å; F87-Y100 HydrophobicContact CE1-CG 3.49Å; F87-Y100 VanDerWaalsContact CE1-CG 3.49Å; F87-Y100 HydrophobicContact CE2-CG 4.39Å; F87-Y100 AromaticContact CG-CD1 3.87Å; F87-Y100 HydrophobicContact CG-CD1 3.87Å; F87-Y100 AromaticContact CG-CD2 3.71Å; F87-Y100 HydrophobicContact CG-CD2 3.71Å; F87-Y100 HydrophobicContact CG-CE1 4.25Å; F87-Y100 HydrophobicContact CG-CE2 4.12Å; F87-Y100 AromaticContact CG-CG 3.58Å; F87-Y100 HydrophobicContact CG-CG 3.58Å; F87-Y100 HydrophobicContact CZ-CD1 4.22Å; F87-Y100 HydrophobicContact CZ-CG 4.08Å; G88-Y100 WeakPolarHBondContact CA-OH 3.47Å; G88-Y100 PolarHBondContact N-OH 2.81Å; S96-Y100 WeakPolarHBondContact O-CD1 3.36Å; S96-Y100 WeakPolarHBondContact O-CE1 3.4Å; S96-Y100 PolarHBondContact O-N 2.99Å; A97-Y100 PolarHBondContact O-N 3.1Å; Y98-Y100 VanDerWaalsContact C-N 3.31Å; Y98-Y100 PolarHBondContact O-N 3.34Å; Y100-T104 PolarHBondContact O-N 3.24Å; Y100-T104 PolarHBondContact O-OG1 2.94Å; Y100-V424 HydrophobicContact CD2-CG1 4.18Å; Y100-V424 HydrophobicContact CD2-CG2 4.11Å
101S90.9Very high87.7Confident0 Ų010 Ų100%05%0.049CC..Hα-helixtrans-66.8-36.9174.7-63.50000112.6A97 Y98 L99 V103 T104 V105 G106 T113A97-S101 WeakPolarHBondContact O-CB 3.3Å; A97-S101 PolarHBondContact O-N 3.49Å; A97-S101 PolarHBondContact O-OG 2.92Å; Y98-S101 PolarHBondContact O-N 3.47Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 3.32Å; S101-V103 VanDerWaalsContact C-N 3.33Å; S101-V103 PolarHBondContact O-N 3.32Å; S101-T104 PolarHBondContact O-N 3.46Å; S101-V105 PolarHBondContact O-N 2.84Å; S101-G106 PolarHBondContact O-N 2.84Å; S101-T113 PolarHBondContact OG-OG1 2.99Å; S101-T113 VanDerWaalsContact OG-OG1 3.04Å
102Y90.5Very high88.1Confident1 Ų111.1 Ų11.10%0.0046%0.055CC..Hα-helixtrans-66.2-36.9-179.9-153.4169.1000112.6R14 R15 K16 Y98 L99 E107 A110 D369R14-Y102 WeakPolarHBondContact O-CE2 3.46Å; R15-Y102 WeakPolarHBondContact CA-O 3.46Å; K16-Y102 HydrophobicContact CB-CD1 3.97Å; K16-Y102 HydrophobicContact CB-CD2 3.78Å; K16-Y102 HydrophobicContact CB-CE1 4.25Å; K16-Y102 HydrophobicContact CB-CE2 4.07Å; K16-Y102 HydrophobicContact CB-CG 3.72Å; K16-Y102 HydrophobicContact CD-CD1 3.87Å; K16-Y102 HydrophobicContact CD-CE1 4.12Å; K16-Y102 HydrophobicContact CD-CG 4.39Å; K16-Y102 PolarHBondContact N-O 2.91Å; K16-Y102 VanDerWaalsContact N-O 3.08Å; Y98-Y102 HydrophobicContact CE1-CD1 4.27Å; Y98-Y102 HydrophobicContact CE2-CD1 4.27Å; Y98-Y102 AromaticContact CZ-CD1 3.71Å; Y98-Y102 PolarHBondContact O-N 2.95Å; Y98-Y102 VanDerWaalsContact OH-CD1 3.3Å; Y98-Y102 WeakPolarHBondContact OH-CD1 3.3Å; Y98-Y102 VanDerWaalsContact OH-CE1 3.3Å; Y98-Y102 WeakPolarHBondContact OH-CE1 3.18Å; L99-Y102 PolarHBondContact O-N 3.09Å; L99-Y102 VanDerWaalsContact O-N 3.16Å; Y102-E107 HydrophobicContact CD2-CB 4.34Å; Y102-E107 HydrophobicContact CE2-CB 3.67Å; Y102-E107 HydrophobicContact CE2-CG 3.9Å; Y102-E107 PolarHBondContact OH-OE2 3.33Å; Y102-A110 VanDerWaalsContact CB-CB 3.49Å; Y102-A110 HydrophobicContact CD1-CB 4.28Å; Y102-A110 HydrophobicContact CD2-CB 4.19Å; Y102-A110 HydrophobicContact CG-CB 3.75Å; Y102-D369 HydrophobicContact CE1-CB 4.07Å
103V86.1Confident88.6Confident7 Ų711 Ų114%0.0425%0.053CC..Hα-helixtrans-78.1-29.7-179.2-179.60000111.9K16 V18 L99 S101 L439K16-V103 HydrophobicContact CB-CG2 4.48Å; V18-V103 HydrophobicContact CG2-CG2 3.46Å; V18-V103 VanDerWaalsContact CG2-CG2 3.46Å; L99-V103 HydrophobicContact CD1-CG2 4.07Å; L99-V103 HydrophobicContact CG-CG2 4.36Å; L99-V103 VanDerWaalsContact O-CG2 3.29Å; L99-V103 WeakPolarHBondContact O-CG2 3.19Å; L99-V103 PolarHBondContact O-N 2.73Å; S101-V103 VanDerWaalsContact C-N 3.33Å; S101-V103 PolarHBondContact O-N 3.32Å; V103-L439 HydrophobicContact CG1-CD2 3.45Å; V103-L439 VanDerWaalsContact CG1-CD2 3.45Å; V103-L439 HydrophobicContact CG1-CG 3.65Å
104T85.6Confident89.1Confident1 Ų19 Ų91%0.0065%0.045CC..Hα-helixtrans-103.4-51.3-173.3530000114.2R15 F87 Y100 S101 C427 L431R15-T104 PolarHBondContact NE-O 3.31Å; F87-T104 HydrophobicContact CE2-CG2 3.8Å; F87-T104 HydrophobicContact CZ-CG2 3.78Å; Y100-T104 PolarHBondContact O-N 3.24Å; Y100-T104 PolarHBondContact O-OG1 2.94Å; S101-T104 PolarHBondContact O-N 3.46Å; T104-C427 HydrophobicContact CG2-CB 4.32Å; T104-C427 WeakPolarHBondContact OG1-CB 3.32Å; T104-C427 PolarHBondContact OG1-SG 2.79Å; T104-L431 HydrophobicContact CG2-CB 4.33Å; T104-L431 HydrophobicContact CG2-CD1 4.13Å
105V85.6Confident89.8Confident31 Ų319.8 Ų9.819%0.1885%0.047CC..THydrogen-bonded Turntrans-100.3-35.6-170.2-169.80000111.9S101 F109S101-V105 PolarHBondContact O-N 2.84Å; V105-F109 HydrophobicContact CB-CB 4.13Å; V105-F109 HydrophobicContact CB-CG 4.49Å; V105-F109 HydrophobicContact CG1-CB 3.81Å; V105-F109 HydrophobicContact CG1-CD1 4.44Å; V105-F109 HydrophobicContact CG1-CD2 3.42Å; V105-F109 VanDerWaalsContact CG1-CD2 3.42Å; V105-F109 HydrophobicContact CG1-CE2 4.06Å; V105-F109 HydrophobicContact CG1-CG 3.64Å
106G87.1Confident90.7Very high0 Ų09.8 Ų9.80%05%0.047CC..  trans124.8179.1173.900000114.7R14 S101 I108 F109 A110R14-G106 CarbonylContact O-C 3.43Å; R14-G106 VanDerWaalsContact O-CA 3.25Å; R14-G106 WeakPolarHBondContact O-CA 3.44Å; S101-G106 PolarHBondContact O-N 2.84Å; G106-I108 PolarHBondContact O-N 3.1Å; G106-F109 PolarHBondContact O-N 2.71Å; G106-A110 WeakPolarHBondContact O-CB 3.32Å; G106-A110 PolarHBondContact O-N 3.43Å
107E89.9Confident90.9Very high1 Ų19.8 Ų9.81%0.0055%0.047CC..Hα-helixtrans-60.1-46-167.8-168.6172.3119.300114.3L12 R14 Y102 A110 F111 V371 Y597 S605L12-E107 PolarHBondContact O-N 2.89Å; R14-E107 HydrophobicContact CB-CB 4.4Å; R14-E107 PolarHBondContact O-N 3.21Å; Y102-E107 HydrophobicContact CD2-CB 4.34Å; Y102-E107 HydrophobicContact CE2-CB 3.67Å; Y102-E107 HydrophobicContact CE2-CG 3.9Å; Y102-E107 PolarHBondContact OH-OE2 3.33Å; E107-A110 WeakPolarHBondContact O-CB 3.25Å; E107-A110 PolarHBondContact O-N 3.41Å; E107-F111 PolarHBondContact O-N 2.75Å; E107-V371 HydrophobicContact CG-CG1 4.11Å; E107-Y597 HydrophobicContact CG-CE2 4.24Å; E107-Y597 PolarHBondContact OE1-OH 3.46Å; E107-S605 WeakPolarHBondContact OE1-CB 3.41Å; E107-S605 PolarHBondContact OE1-OG 3.22Å; E107-S605 WeakPolarHBondContact OE2-CB 3.41Å; E107-S605 PolarHBondContact OE2-OG 3.48Å
108I90.9Very high91.1Very high21 Ų2110.3 Ų10.311%0.1085%0.05CC..Hα-helixtrans-65.5-43.4-178.7-173.663.4000111.9L12 G106 A110 F111 I112 F594 Y597 F598L12-I108 HydrophobicContact CB-CB 4.21Å; L12-I108 HydrophobicContact CB-CG2 4.19Å; L12-I108 HydrophobicContact CD2-CB 4.44Å; L12-I108 HydrophobicContact CD2-CD1 4.45Å; L12-I108 VanDerWaalsContact O-CG2 3.32Å; L12-I108 WeakPolarHBondContact O-CG2 3.41Å; L12-I108 PolarHBondContact O-N 3.27Å; G106-I108 PolarHBondContact O-N 3.1Å; I108-A110 VanDerWaalsContact C-N 3.34Å; I108-F111 PolarHBondContact O-N 2.89Å; I108-I112 HydrophobicContact CG1-CD1 4.23Å; I108-I112 VanDerWaalsContact O-CG1 3.32Å; I108-I112 WeakPolarHBondContact O-CG1 3.25Å; I108-I112 PolarHBondContact O-N 3.32Å; I108-F594 HydrophobicContact CD1-CE1 4.14Å; I108-Y597 HydrophobicContact CD1-CD1 3.76Å; I108-Y597 HydrophobicContact CD1-CE1 3.42Å; I108-Y597 VanDerWaalsContact CD1-CE1 3.42Å; I108-F598 HydrophobicContact CD1-CZ 4.41Å
109F91.2Very high91Very high88 Ų8810.3 Ų10.339%0.3865%0.05SC..Hα-helixtrans-70.3-35.4178-73.8-77.3000110.8V105 G106 I112 T113 L423V105-F109 HydrophobicContact CB-CB 4.13Å; V105-F109 HydrophobicContact CB-CG 4.49Å; V105-F109 HydrophobicContact CG1-CB 3.81Å; V105-F109 HydrophobicContact CG1-CD1 4.44Å; V105-F109 HydrophobicContact CG1-CD2 3.42Å; V105-F109 VanDerWaalsContact CG1-CD2 3.42Å; V105-F109 HydrophobicContact CG1-CE2 4.06Å; V105-F109 HydrophobicContact CG1-CG 3.64Å; G106-F109 PolarHBondContact O-N 2.71Å; F109-I112 PolarHBondContact O-N 2.82Å; F109-T113 WeakPolarHBondContact O-CB 3.42Å; F109-T113 PolarHBondContact O-N 3.46Å; F109-T113 PolarHBondContact O-OG1 3.12Å; F109-L423 HydrophobicContact CD1-CD2 4.3Å
110A92.4Very high91.1Very high0 Ų010.1 Ų10.10%05%0.049CC..Hα-helixtrans-57.8-50.116900000111.3Y98 Y102 G106 E107 I108 I112 T113 G114Y98-A110 HydrophobicContact CD2-CB 4.01Å; Y98-A110 VanDerWaalsContact CD2-O 3.25Å; Y98-A110 WeakPolarHBondContact CD2-O 3.35Å; Y98-A110 HydrophobicContact CE2-CB 3.88Å; Y102-A110 VanDerWaalsContact CB-CB 3.49Å; Y102-A110 HydrophobicContact CD1-CB 4.28Å; Y102-A110 HydrophobicContact CD2-CB 4.19Å; Y102-A110 HydrophobicContact CG-CB 3.75Å; G106-A110 WeakPolarHBondContact O-CB 3.32Å; G106-A110 PolarHBondContact O-N 3.43Å; E107-A110 WeakPolarHBondContact O-CB 3.25Å; E107-A110 PolarHBondContact O-N 3.41Å; I108-A110 VanDerWaalsContact C-N 3.34Å; A110-I112 PolarHBondContact O-N 3.4Å; A110-T113 PolarHBondContact O-N 3.02Å; A110-G114 PolarHBondContact O-N 2.65Å
111F94.6Very high91.2Very high0 Ų010.5 Ų10.50%05%0.05CC..Hα-helixtrans-57.6-47.3177.9178.9-93.1000111.8E107 I108 T113 G114 W115 M366 V371 L372 G593 Y597E107-F111 PolarHBondContact O-N 2.75Å; I108-F111 PolarHBondContact O-N 2.89Å; F111-T113 PolarHBondContact O-N 3.49Å; F111-G114 PolarHBondContact O-N 3.2Å; F111-W115 HydrophobicContact CE1-CB 4.12Å; F111-W115 HydrophobicContact CE1-CG 4.27Å; F111-W115 HydrophobicContact CZ-CB 4.21Å; F111-W115 HydrophobicContact CZ-CD2 4.24Å; F111-W115 HydrophobicContact CZ-CE3 4.28Å; F111-W115 HydrophobicContact CZ-CG 4.22Å; F111-W115 WeakPolarHBondContact O-CB 3.37Å; F111-W115 PolarHBondContact O-N 3.45Å; F111-M366 HydrophobicContact CD2-CE 3.7Å; F111-M366 HydrophobicContact CE2-CE 3.98Å; F111-V371 HydrophobicContact CD2-CB 4.48Å; F111-L372 HydrophobicContact CE2-CD2 4.26Å; F111-G593 WeakPolarHBondContact CE1-O 3.36Å; F111-G593 WeakPolarHBondContact CZ-O 3.33Å; F111-Y597 HydrophobicContact CB-CD2 3.78Å; F111-Y597 HydrophobicContact CB-CE2 3.93Å; F111-Y597 HydrophobicContact CB-CG 4.48Å; F111-Y597 HydrophobicContact CD1-CD2 4.01Å; F111-Y597 AromaticContact CD1-CG 3.96Å; F111-Y597 HydrophobicContact CD1-CG 3.96Å; F111-Y597 AromaticContact CD2-CD2 3.57Å; F111-Y597 HydrophobicContact CD2-CD2 3.57Å; F111-Y597 HydrophobicContact CD2-CE2 4.44Å; F111-Y597 HydrophobicContact CD2-CG 4.2Å; F111-Y597 HydrophobicContact CE1-CG 4.31Å; F111-Y597 HydrophobicContact CE2-CD2 4.2Å; F111-Y597 AromaticContact CG-CD2 3.47Å; F111-Y597 HydrophobicContact CG-CD2 3.47Å; F111-Y597 VanDerWaalsContact CG-CD2 3.47Å; F111-Y597 HydrophobicContact CG-CE2 4.15Å; F111-Y597 AromaticContact CG-CG 3.92Å; F111-Y597 HydrophobicContact CG-CG 3.92Å
112I93.8Very high91.3Very high26 Ų2610.5 Ų10.513%0.1335%0.051CC..Hα-helixtrans-57.6-49.2176.7-67.4165.5000110.4I108 F109 A110 G114 W115 N116 L419 M590 F594I108-I112 HydrophobicContact CG1-CD1 4.23Å; I108-I112 VanDerWaalsContact O-CG1 3.32Å; I108-I112 WeakPolarHBondContact O-CG1 3.25Å; I108-I112 PolarHBondContact O-N 3.32Å; F109-I112 PolarHBondContact O-N 2.82Å; A110-I112 PolarHBondContact O-N 3.4Å; I112-G114 PolarHBondContact O-N 3.44Å; I112-W115 PolarHBondContact O-N 3.36Å; I112-N116 WeakPolarHBondContact O-CB 3.3Å; I112-N116 PolarHBondContact O-N 3.12Å; I112-N116 PolarHBondContact O-ND2 3.14Å; I112-N116 VanDerWaalsContact O-ND2 3.07Å; I112-L419 HydrophobicContact CG2-CD2 4.39Å; I112-M590 HydrophobicContact CB-CE 4.4Å; I112-M590 HydrophobicContact CG1-CE 4.04Å; I112-M590 HydrophobicContact CG2-CE 3.96Å; I112-F594 HydrophobicContact CD1-CE1 4.08Å; I112-F594 HydrophobicContact CD1-CZ 3.99Å; I112-F594 HydrophobicContact CG1-CE1 3.82Å; I112-F594 HydrophobicContact CG1-CZ 3.92Å
113T92.9Very high91.3Very high0 Ų010.5 Ų10.50%05%0.05CC..Hα-helixtrans-60.3-46.9178.1-57.30000111.9A97 S101 F109 A110 F111 N116 L117 A420 L423A97-T113 VanDerWaalsContact C-CG2 3.49Å; A97-T113 HydrophobicContact CB-CG2 3.44Å; A97-T113 VanDerWaalsContact CB-CG2 3.44Å; S101-T113 PolarHBondContact OG-OG1 2.99Å; S101-T113 VanDerWaalsContact OG-OG1 3.04Å; F109-T113 WeakPolarHBondContact O-CB 3.42Å; F109-T113 PolarHBondContact O-N 3.46Å; F109-T113 PolarHBondContact O-OG1 3.12Å; A110-T113 PolarHBondContact O-N 3.02Å; F111-T113 PolarHBondContact O-N 3.49Å; T113-N116 PolarHBondContact O-N 3.24Å; T113-L117 WeakPolarHBondContact O-CG 3.43Å; T113-L117 PolarHBondContact O-N 2.69Å; T113-A420 HydrophobicContact CG2-CB 4.34Å; T113-L423 WeakPolarHBondContact OG1-CD1 3.12Å
114G94.1Very high91.6Very high0 Ų010.2 Ų10.20%05%0.049CC..Hα-helixtrans-66.9-41.7-179.600000113A110 F111 I112 N116 L117 I118A110-G114 PolarHBondContact O-N 2.65Å; F111-G114 PolarHBondContact O-N 3.2Å; I112-G114 PolarHBondContact O-N 3.44Å; G114-N116 VanDerWaalsContact C-N 3.31Å; G114-N116 PolarHBondContact O-N 2.72Å; G114-L117 PolarHBondContact O-N 2.91Å; G114-I118 WeakPolarHBondContact O-CG1 3.36Å; G114-I118 PolarHBondContact O-N 3.36Å
115W94.7Very high92Very high23 Ų2310.1 Ų10.19%0.0875%0.049CC..Hα-helixtrans-63.9-36.6175.7-170.4-113.3000112.1F111 I112 I118 L119 W589 G593 I596F111-W115 HydrophobicContact CE1-CB 4.12Å; F111-W115 HydrophobicContact CE1-CG 4.27Å; F111-W115 HydrophobicContact CZ-CB 4.21Å; F111-W115 HydrophobicContact CZ-CD2 4.24Å; F111-W115 HydrophobicContact CZ-CE3 4.28Å; F111-W115 HydrophobicContact CZ-CG 4.22Å; F111-W115 WeakPolarHBondContact O-CB 3.37Å; F111-W115 PolarHBondContact O-N 3.45Å; I112-W115 PolarHBondContact O-N 3.36Å; W115-I118 HydrophobicContact CE3-CD1 4.36Å; W115-L119 PolarHBondContact O-N 3.21Å; W115-W589 AromaticContact CD1-CD1 3.58Å; W115-W589 AromaticContact CD1-NE1 3.23Å; W115-W589 HydrophobicContact CD2-CZ2 4.26Å; W115-W589 AromaticContact CD2-NE1 3.93Å; W115-W589 AromaticContact CE2-CE2 3.46Å; W115-W589 VanDerWaalsContact CE2-CE2 3.46Å; W115-W589 AromaticContact CE2-CZ2 3.69Å; W115-W589 AromaticContact CE2-NE1 3.36Å; W115-W589 AromaticContact CG-NE1 3.85Å; W115-W589 HydrophobicContact CH2-CH2 4.18Å; W115-W589 AromaticContact CH2-CZ2 3.91Å; W115-W589 HydrophobicContact CH2-CZ2 3.91Å; W115-W589 HydrophobicContact CZ2-CD2 4.13Å; W115-W589 AromaticContact CZ2-CE2 3.58Å; W115-W589 AromaticContact CZ2-CH2 3.97Å; W115-W589 HydrophobicContact CZ2-CH2 3.97Å; W115-W589 AromaticContact CZ2-CZ2 3.5Å; W115-W589 HydrophobicContact CZ2-CZ2 3.5Å; W115-W589 HydrophobicContact CZ2-CZ3 4.44Å; W115-W589 AromaticContact CZ2-NE1 3.99Å; W115-W589 HydrophobicContact CZ3-CZ2 4.45Å; W115-W589 AromaticContact NE1-CD1 3.22Å; W115-W589 AromaticContact NE1-CD2 3.97Å; W115-W589 AromaticContact NE1-CE2 3.44Å; W115-W589 AromaticContact NE1-CG 3.87Å; W115-W589 AromaticContact NE1-NE1 2.9Å; W115-W589 PolarHBondContact NE1-O 3.41Å; W115-W589 PolarHBondContact O-NE1 2.9Å; W115-G593 VanDerWaalsContact NE1-CA 3.28Å; W115-I596 HydrophobicContact CH2-CD1 3.74Å; W115-I596 HydrophobicContact CZ2-CD1 4.4Å; W115-I596 HydrophobicContact CZ3-CD1 4.18Å
116N92.9Very high92.4Very high0 Ų08.7 Ų8.70%04%0.04CC..Hα-helixtrans-71.7-35.9173.3-72-28.5000113.1I112 T113 G114 L119 S120 L419 F586 M590I112-N116 WeakPolarHBondContact O-CB 3.3Å; I112-N116 PolarHBondContact O-N 3.12Å; I112-N116 PolarHBondContact O-ND2 3.14Å; I112-N116 VanDerWaalsContact O-ND2 3.07Å; T113-N116 PolarHBondContact O-N 3.24Å; G114-N116 VanDerWaalsContact C-N 3.31Å; G114-N116 PolarHBondContact O-N 2.72Å; N116-L119 WeakPolarHBondContact O-CB 3.25Å; N116-L119 PolarHBondContact O-N 3.07Å; N116-S120 WeakPolarHBondContact O-CB 3.41Å; N116-S120 PolarHBondContact O-N 3.49Å; N116-L419 VanDerWaalsContact ND2-CD2 3.3Å; N116-L419 WeakPolarHBondContact ND2-CD2 3.36Å; N116-F586 VanDerWaalsContact OD1-CE2 3.27Å; N116-F586 WeakPolarHBondContact OD1-CE2 3.3Å; N116-F586 WeakPolarHBondContact OD1-CZ 3.19Å; N116-M590 PolarHBondContact OD1-SD 3.18Å
117L92.8Very high92.6Very high1 Ų18.7 Ų8.71%0.0054%0.04CC..Hα-helixtrans-64.5-42.7172.2-77.3179.6000111.5A97 T113 G114 L119 S120 Y121 V362 A420A97-L117 HydrophobicContact CB-CD1 3.9Å; T113-L117 WeakPolarHBondContact O-CG 3.43Å; T113-L117 PolarHBondContact O-N 2.69Å; G114-L117 PolarHBondContact O-N 2.91Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 2.91Å; L117-S120 PolarHBondContact O-N 2.8Å; L117-Y121 HydrophobicContact CB-CE2 4.32Å; L117-Y121 WeakPolarHBondContact O-CD2 3.49Å; L117-Y121 PolarHBondContact O-N 3.29Å; L117-V362 HydrophobicContact CB-CG1 4.24Å; L117-V362 HydrophobicContact CD1-CG1 4.46Å; L117-V362 HydrophobicContact CD1-CG2 4.35Å; L117-A420 HydrophobicContact CD2-CB 4.38Å
118I93.6Very high92.8Very high11 Ų118.7 Ų8.76%0.0564%0.04CC..Hα-helixtrans-58.8-46.9174.7-68.5166.7000109.9G114 W115 S120 Y121 V122 V362 I363 M366 L372 W589G114-I118 WeakPolarHBondContact O-CG1 3.36Å; G114-I118 PolarHBondContact O-N 3.36Å; W115-I118 HydrophobicContact CE3-CD1 4.36Å; I118-S120 PolarHBondContact O-N 3.46Å; I118-Y121 PolarHBondContact O-N 2.85Å; I118-V122 HydrophobicContact CG2-CG2 4.26Å; I118-V122 WeakPolarHBondContact O-CB 3.32Å; I118-V122 VanDerWaalsContact O-CG2 3.22Å; I118-V122 WeakPolarHBondContact O-CG2 3.39Å; I118-V122 PolarHBondContact O-N 3.46Å; I118-V362 HydrophobicContact CG1-CG1 4.1Å; I118-I363 HydrophobicContact CD1-CG1 3.72Å; I118-I363 HydrophobicContact CG1-CG1 3.78Å; I118-I363 HydrophobicContact CG2-CD1 4.5Å; I118-M366 HydrophobicContact CD1-SD 3.59Å; I118-M366 VanDerWaalsContact CD1-SD 3.59Å; I118-M366 HydrophobicContact CG1-SD 4.47Å; I118-L372 HydrophobicContact CD1-CD1 3.84Å; I118-W589 HydrophobicContact CG2-CZ2 4.42Å
119L90.9Very high93Very high1 Ų17.7 Ų7.71%0.0054%0.035CC..Hα-helixtrans-56-51.9175-172.365.5000111.9W115 N116 L117 Y121 V122 I123 M412 F586 W589W115-L119 PolarHBondContact O-N 3.21Å; N116-L119 WeakPolarHBondContact O-CB 3.25Å; N116-L119 PolarHBondContact O-N 3.07Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 2.91Å; L119-Y121 VanDerWaalsContact C-N 3.32Å; L119-Y121 PolarHBondContact O-N 3.08Å; L119-V122 PolarHBondContact O-N 3.25Å; L119-I123 HydrophobicContact CD1-CD1 3.69Å; L119-I123 HydrophobicContact CD1-CG1 4.08Å; L119-I123 HydrophobicContact CD2-CD1 4.21Å; L119-I123 HydrophobicContact CG-CD1 3.64Å; L119-I123 HydrophobicContact CG-CG1 4.26Å; L119-I123 WeakPolarHBondContact O-CB 3.35Å; L119-I123 VanDerWaalsContact O-CG1 3.29Å; L119-I123 WeakPolarHBondContact O-CG1 3.24Å; L119-I123 PolarHBondContact O-N 3.33Å; L119-M412 HydrophobicContact CD1-CE 3.52Å; L119-M412 HydrophobicContact CD2-CE 3.94Å; L119-M412 HydrophobicContact CG-CE 4.22Å; L119-F586 HydrophobicContact CD2-CD2 4.05Å; L119-F586 HydrophobicContact CD2-CE2 4.27Å; L119-W589 HydrophobicContact CB-CD2 4.49Å; L119-W589 HydrophobicContact CB-CZ2 4.1Å; L119-W589 HydrophobicContact CD1-CB 4.34Å; L119-W589 HydrophobicContact CD1-CD2 3.25Å; L119-W589 HydrophobicContact CD1-CE3 3.7Å; L119-W589 HydrophobicContact CD1-CG 3.53Å; L119-W589 HydrophobicContact CD1-CH2 4.2Å; L119-W589 HydrophobicContact CD1-CZ2 3.81Å; L119-W589 HydrophobicContact CD1-CZ3 4.15Å; L119-W589 HydrophobicContact CD2-CG 3.97Å; L119-W589 HydrophobicContact CG-CD2 4.25Å; L119-W589 HydrophobicContact CG-CG 4.2Å
120S91.3Very high93Very high0 Ų04.2 Ų4.20%02%0.019CC..Hα-helixtrans-57.4-46-176.6-179.20000111N116 L117 I118 G124 T417N116-S120 WeakPolarHBondContact O-CB 3.41Å; N116-S120 PolarHBondContact O-N 3.49Å; L117-S120 PolarHBondContact O-N 2.8Å; I118-S120 PolarHBondContact O-N 3.46Å; S120-G124 WeakPolarHBondContact O-CA 3.42Å; S120-G124 PolarHBondContact O-N 3.31Å; S120-T417 PolarHBondContact OG-OG1 3.07Å
121Y92.6Very high92.9Very high8 Ų84.4 Ų4.43%0.0312%0.021CC..Hα-helixtrans-71-37.2177.9-62.6-48.7000113.4L117 I118 L119 G124 T125 D271 P358 M359 V362L117-Y121 HydrophobicContact CB-CE2 4.32Å; L117-Y121 WeakPolarHBondContact O-CD2 3.49Å; L117-Y121 PolarHBondContact O-N 3.29Å; I118-Y121 PolarHBondContact O-N 2.85Å; L119-Y121 VanDerWaalsContact C-N 3.32Å; L119-Y121 PolarHBondContact O-N 3.08Å; Y121-G124 PolarHBondContact O-N 3.17Å; Y121-T125 WeakPolarHBondContact O-CB 3.25Å; Y121-T125 PolarHBondContact O-N 3.45Å; Y121-T125 PolarHBondContact O-OG1 3.04Å; Y121-D271 PolarHBondContact OH-OD2 2.9Å; Y121-P358 HydrophobicContact CD1-CG 3.64Å; Y121-P358 HydrophobicContact CD2-CB 4.4Å; Y121-P358 HydrophobicContact CD2-CG 4.2Å; Y121-P358 HydrophobicContact CE1-CB 4.06Å; Y121-P358 HydrophobicContact CE1-CG 3.39Å; Y121-P358 HydrophobicContact CE2-CB 3.83Å; Y121-P358 HydrophobicContact CE2-CG 3.93Å; Y121-P358 HydrophobicContact CG-CG 4.06Å; Y121-M359 HydrophobicContact CD2-CB 4.25Å; Y121-M359 HydrophobicContact CG-CB 4.25Å; Y121-M359 WeakPolarHBondContact O-CE 3.45Å; Y121-V362 HydrophobicContact CE2-CG2 3.98Å
122V93.6Very high92.9Very high1 Ų16 Ų61%0.0063%0.027CC..Hα-helixtrans-62.2-47.4178.1162.30000109.6I118 L119 T125 S126 M359 V396 A397 M400I118-V122 HydrophobicContact CG2-CG2 4.26Å; I118-V122 WeakPolarHBondContact O-CB 3.32Å; I118-V122 VanDerWaalsContact O-CG2 3.22Å; I118-V122 WeakPolarHBondContact O-CG2 3.39Å; I118-V122 PolarHBondContact O-N 3.46Å; L119-V122 PolarHBondContact O-N 3.25Å; V122-T125 PolarHBondContact O-N 3.39Å; V122-S126 WeakPolarHBondContact O-CB 3.42Å; V122-S126 PolarHBondContact O-N 2.96Å; V122-S126 PolarHBondContact O-OG 3.34Å; V122-M359 HydrophobicContact CG2-CE 4.09Å; V122-M359 HydrophobicContact CG2-SD 3.99Å; V122-V396 HydrophobicContact CG1-CG1 3.87Å; V122-A397 HydrophobicContact CG1-CB 4.19Å; V122-M400 HydrophobicContact CG1-CG 3.96Å
123I91.6Very high92.8Very high0 Ų04.9 Ų4.90%02%0.021CC..Hα-helixtrans-68.8-41.3177.3-64.8-179.7000111.2L119 T125 S126 S127 L409 M412 M413L119-I123 HydrophobicContact CD1-CD1 3.69Å; L119-I123 HydrophobicContact CD1-CG1 4.08Å; L119-I123 HydrophobicContact CD2-CD1 4.21Å; L119-I123 HydrophobicContact CG-CD1 3.64Å; L119-I123 HydrophobicContact CG-CG1 4.26Å; L119-I123 WeakPolarHBondContact O-CB 3.35Å; L119-I123 VanDerWaalsContact O-CG1 3.29Å; L119-I123 WeakPolarHBondContact O-CG1 3.24Å; L119-I123 PolarHBondContact O-N 3.33Å; I123-T125 VanDerWaalsContact C-N 3.32Å; I123-T125 PolarHBondContact O-N 3.42Å; I123-S126 PolarHBondContact O-N 3.48Å; I123-S126 VanDerWaalsContact O-N 3.14Å; I123-S127 WeakPolarHBondContact O-CB 3.25Å; I123-S127 PolarHBondContact O-N 3.14Å; I123-S127 PolarHBondContact O-OG 2.92Å; I123-L409 HydrophobicContact CG1-CD2 4.47Å; I123-L409 HydrophobicContact CG2-CB 3.72Å; I123-L409 HydrophobicContact CG2-CD2 3.96Å; I123-L409 HydrophobicContact CG2-CG 4.46Å; I123-L409 WeakPolarHBondContact CG2-O 3.22Å; I123-M412 HydrophobicContact CD1-CB 3.83Å; I123-M412 HydrophobicContact CD1-CE 3.9Å; I123-M412 HydrophobicContact CD1-CG 3.46Å; I123-M412 VanDerWaalsContact CD1-CG 3.46Å; I123-M412 HydrophobicContact CD1-SD 3.57Å; I123-M412 VanDerWaalsContact CD1-SD 3.57Å; I123-M413 HydrophobicContact CB-CB 4.24Å; I123-M413 HydrophobicContact CG2-CB 3.73Å; I123-M413 HydrophobicContact CG2-SD 4.48Å
124G91.5Very high92.7Very high1 Ų15.3 Ų5.31%0.013%0.026CC..Hα-helixtrans-56.1-46.7174.200000111.8S120 Y121 S126 S127 V128 M413S120-G124 WeakPolarHBondContact O-CA 3.42Å; S120-G124 PolarHBondContact O-N 3.31Å; Y121-G124 PolarHBondContact O-N 3.17Å; G124-S126 PolarHBondContact O-N 2.8Å; G124-S127 WeakPolarHBondContact CA-OG 3.33Å; G124-S127 PolarHBondContact O-OG 2.89Å; G124-V128 WeakPolarHBondContact O-CB 3.43Å; G124-V128 WeakPolarHBondContact O-CG2 3.11Å; G124-V128 PolarHBondContact O-N 3.12Å; G124-M413 VanDerWaalsContact CA-SD 3.54Å
125T93.8Very high92.4Very high0 Ų05.5 Ų5.50%03%0.027CC..Hα-helixtrans-60.3-44.9174.5-61.10000111.7Y121 V122 I123 A129 I171 L352 I356 M359 A397Y121-T125 WeakPolarHBondContact O-CB 3.25Å; Y121-T125 PolarHBondContact O-N 3.45Å; Y121-T125 PolarHBondContact O-OG1 3.04Å; V122-T125 PolarHBondContact O-N 3.39Å; I123-T125 VanDerWaalsContact C-N 3.32Å; I123-T125 PolarHBondContact O-N 3.42Å; T125-A129 VanDerWaalsContact O-CB 3.32Å; T125-A129 WeakPolarHBondContact O-CB 3.37Å; T125-A129 PolarHBondContact O-N 3.19Å; T125-A129 VanDerWaalsContact O-N 3.09Å; T125-I171 HydrophobicContact CG2-CD1 4.39Å; T125-I171 HydrophobicContact CG2-CG1 4.09Å; T125-I171 HydrophobicContact CG2-CG2 4Å; T125-L352 HydrophobicContact CG2-CD1 3.7Å; T125-L352 WeakPolarHBondContact O-CD1 3.43Å; T125-I356 HydrophobicContact CG2-CD1 3.85Å; T125-I356 HydrophobicContact CG2-CG1 3.42Å; T125-I356 VanDerWaalsContact CG2-CG1 3.42Å; T125-I356 WeakPolarHBondContact OG1-CG1 3.34Å; T125-M359 WeakPolarHBondContact OG1-CE 3.38Å; T125-A397 HydrophobicContact CG2-CB 3.69Å
126S94.1Very high92.3Very high0 Ų07.5 Ų7.50%04%0.036CC..Hα-helixtrans-66.6-46.7-177.9-51.80000112.2V122 I123 G124 A129 R130 A397 M400V122-S126 WeakPolarHBondContact O-CB 3.42Å; V122-S126 PolarHBondContact O-N 2.96Å; V122-S126 PolarHBondContact O-OG 3.34Å; I123-S126 PolarHBondContact O-N 3.48Å; I123-S126 VanDerWaalsContact O-N 3.14Å; G124-S126 PolarHBondContact O-N 2.8Å; S126-A129 PolarHBondContact O-N 2.97Å; S126-R130 WeakPolarHBondContact O-CG 3.41Å; S126-R130 PolarHBondContact O-N 2.95Å; S126-A397 WeakPolarHBondContact OG-CA 3.17Å; S126-A397 PolarHBondContact OG-O 3.48Å; S126-M400 WeakPolarHBondContact OG-CB 3.33Å
127S91.9Very high92.2Very high0 Ų07.6 Ų7.60%04%0.037CC..Hα-helixtrans-63.8-46.4179.556.80000111.6I123 G124 A129 R130 A131 Y265 L406I123-S127 WeakPolarHBondContact O-CB 3.25Å; I123-S127 PolarHBondContact O-N 3.14Å; I123-S127 PolarHBondContact O-OG 2.92Å; G124-S127 WeakPolarHBondContact CA-OG 3.33Å; G124-S127 PolarHBondContact O-OG 2.89Å; S127-A129 VanDerWaalsContact C-N 3.33Å; S127-A129 PolarHBondContact O-N 3.23Å; S127-R130 PolarHBondContact O-N 3.26Å; S127-A131 WeakPolarHBondContact O-CB 3.44Å; S127-A131 PolarHBondContact O-N 3.08Å; S127-Y265 PolarHBondContact OG-OH 3.44Å; S127-L406 VanDerWaalsContact O-CD1 3.26Å; S127-L406 WeakPolarHBondContact O-CD1 3.47Å
128V93.2Very high91.9Very high1 Ų110.9 Ų10.91%0.0065%0.052CC..Hα-helixtrans-66.2-37.1179.1179.40000111.4A48 G124 A131 W132 L348 L352A48-V128 HydrophobicContact CB-CG2 4.28Å; G124-V128 WeakPolarHBondContact O-CB 3.43Å; G124-V128 WeakPolarHBondContact O-CG2 3.11Å; G124-V128 PolarHBondContact O-N 3.12Å; V128-A131 PolarHBondContact O-N 2.97Å; V128-W132 WeakPolarHBondContact O-CB 3.36Å; V128-W132 PolarHBondContact O-N 2.97Å; V128-L348 HydrophobicContact CG1-CB 4.39Å; V128-L348 HydrophobicContact CG1-CD2 4.19Å; V128-L348 VanDerWaalsContact CG1-O 3.23Å; V128-L348 WeakPolarHBondContact CG1-O 3.44Å; V128-L352 HydrophobicContact CB-CD1 4.35Å; V128-L352 HydrophobicContact CG1-CB 3.86Å
129A94.8Very high91.4Very high0 Ų014.1 Ų14.10%07%0.068CC..Hα-helixtrans-65.8-39.4174.500000112.7T125 S126 S127 W132 S133 A167 L170 I171 L352T125-A129 VanDerWaalsContact O-CB 3.32Å; T125-A129 WeakPolarHBondContact O-CB 3.37Å; T125-A129 PolarHBondContact O-N 3.19Å; T125-A129 VanDerWaalsContact O-N 3.09Å; S126-A129 PolarHBondContact O-N 2.97Å; S127-A129 VanDerWaalsContact C-N 3.33Å; S127-A129 PolarHBondContact O-N 3.23Å; A129-W132 WeakPolarHBondContact O-CB 3.42Å; A129-W132 PolarHBondContact O-N 2.9Å; A129-S133 WeakPolarHBondContact O-CB 3.29Å; A129-S133 PolarHBondContact O-N 3.45Å; A129-A167 HydrophobicContact CB-CB 4.13Å; A129-L170 HydrophobicContact CB-CD2 4.16Å; A129-I171 HydrophobicContact CB-CD1 3.62Å; A129-I171 HydrophobicContact CB-CG1 3.51Å; A129-L352 HydrophobicContact CB-CD1 4.21Å; A129-L352 HydrophobicContact CB-CD2 4.14Å
130R91.5Very high91.2Very high15 Ų1516.8 Ų16.86%0.0578%0.084CC..Hα-helixtrans-63.1-44.1172.8-75.7-77.3-74.4156.9-2.4111.8S126 S127 W132 S133 G134 D164 A401 D405 L409S126-R130 WeakPolarHBondContact O-CG 3.41Å; S126-R130 PolarHBondContact O-N 2.95Å; S127-R130 PolarHBondContact O-N 3.26Å; R130-W132 VanDerWaalsContact C-N 3.32Å; R130-W132 PolarHBondContact O-N 3.3Å; R130-S133 PolarHBondContact O-N 3.39Å; R130-G134 PolarHBondContact O-N 3Å; R130-D164 WeakPolarHBondContact CD-OD2 3.26Å; R130-D164 IonicContact CZ-OD2 2.73Å; R130-D164 VanDerWaalsContact NH1-CB 3.33Å; R130-D164 IonicContact NH1-OD2 2.75Å; R130-D164 PolarHBondContact NH1-OD2 3.43Å; R130-A401 WeakPolarHBondContact CD-O 3.31Å; R130-A401 HydrophobicContact CG-CB 4.24Å; R130-D405 IonicContact CZ-OD1 3.21Å; R130-D405 IonicContact NH2-OD1 2.76Å; R130-D405 PolarHBondContact NH2-OD1 3.31Å; R130-L409 HydrophobicContact CG-CD1 4.38Å
131A91.3Very high90.9Very high4 Ų419.3 Ų19.33%0.03311%0.111CC..Hα-helixtrans-61.7-40.4174.900000112A48 V52 S127 V128 T135 L348 L406A48-A131 HydrophobicContact CB-CB 3.61Å; V52-A131 HydrophobicContact CG2-CB 4Å; S127-A131 WeakPolarHBondContact O-CB 3.44Å; S127-A131 PolarHBondContact O-N 3.08Å; V128-A131 PolarHBondContact O-N 2.97Å; A131-T135 WeakPolarHBondContact O-CB 3.41Å; A131-T135 PolarHBondContact O-N 3.42Å; A131-T135 PolarHBondContact O-OG1 3.33Å; A131-L348 HydrophobicContact CB-CD1 4.49Å; A131-L348 HydrophobicContact CB-CD2 4.01Å; A131-L406 HydrophobicContact CB-CD1 4.45Å; A131-L406 HydrophobicContact CB-CD2 4.47Å
132W93.3Very high90.6Very high34 Ų3419.4 Ų19.413%0.12911%0.114CC..Hα-helixtrans-61.6-50.9174.9-161.1110.3000111.2V128 A129 R130 G134 T135 F136 F166 L170 L345 L348 S349V128-W132 WeakPolarHBondContact O-CB 3.36Å; V128-W132 PolarHBondContact O-N 2.97Å; A129-W132 WeakPolarHBondContact O-CB 3.42Å; A129-W132 PolarHBondContact O-N 2.9Å; R130-W132 VanDerWaalsContact C-N 3.32Å; R130-W132 PolarHBondContact O-N 3.3Å; W132-G134 PolarHBondContact O-N 3Å; W132-T135 PolarHBondContact O-N 3.14Å; W132-F136 HydrophobicContact CE3-CB 3.85Å; W132-F136 HydrophobicContact CE3-CG 4.41Å; W132-F136 HydrophobicContact CH2-CD2 4.11Å; W132-F136 HydrophobicContact CH2-CG 4.35Å; W132-F136 HydrophobicContact CZ3-CB 3.6Å; W132-F136 HydrophobicContact CZ3-CD1 4.31Å; W132-F136 AromaticContact CZ3-CD2 3.88Å; W132-F136 HydrophobicContact CZ3-CD2 3.88Å; W132-F136 AromaticContact CZ3-CG 3.66Å; W132-F136 HydrophobicContact CZ3-CG 3.66Å; W132-F136 WeakPolarHBondContact O-CB 3.25Å; W132-F136 PolarHBondContact O-N 3.21Å; W132-F166 AromaticContact CE3-CE1 3.57Å; W132-F166 HydrophobicContact CE3-CE1 3.57Å; W132-F166 HydrophobicContact CE3-CZ 4.21Å; W132-F166 HydrophobicContact CH2-CE1 4.35Å; W132-F166 HydrophobicContact CH2-CZ 4.18Å; W132-F166 HydrophobicContact CZ3-CD1 4.5Å; W132-F166 AromaticContact CZ3-CE1 3.24Å; W132-F166 HydrophobicContact CZ3-CE1 3.24Å; W132-F166 AromaticContact CZ3-CZ 3.45Å; W132-F166 HydrophobicContact CZ3-CZ 3.45Å; W132-F166 VanDerWaalsContact CZ3-CZ 3.45Å; W132-L170 HydrophobicContact CB-CD2 3.95Å; W132-L170 HydrophobicContact CD2-CD1 4.17Å; W132-L170 HydrophobicContact CD2-CD2 4.06Å; W132-L170 HydrophobicContact CE3-CD1 4.31Å; W132-L170 HydrophobicContact CE3-CD2 4.47Å; W132-L170 HydrophobicContact CG-CD2 3.85Å; W132-L170 HydrophobicContact CH2-CD1 4.5Å; W132-L170 HydrophobicContact CZ2-CD1 4.33Å; W132-L345 HydrophobicContact CD2-CD2 4.03Å; W132-L345 HydrophobicContact CE3-CD2 4.31Å; W132-L345 HydrophobicContact CG-CD2 4.42Å; W132-L345 HydrophobicContact CZ2-CD2 4.33Å; W132-L345 PolarHBondContact NE1-O 3.36Å; W132-L348 HydrophobicContact CB-CB 4.24Å; W132-L348 HydrophobicContact CB-CD1 4.41Å; W132-L348 HydrophobicContact CG-CB 4.23Å; W132-S349 PolarHBondContact NE1-OG 2.88Å
133S93.1Very high90.4Very high3 Ų325.8 Ų25.82%0.02114%0.143CC..Hα-helixtrans-58.1-48.7178.4-172.70000111.5A129 R130 T135 F136 D137 D164A129-S133 WeakPolarHBondContact O-CB 3.29Å; A129-S133 PolarHBondContact O-N 3.45Å; R130-S133 PolarHBondContact O-N 3.39Å; S133-T135 PolarHBondContact O-N 2.98Å; S133-F136 PolarHBondContact O-N 3.49Å; S133-D137 WeakPolarHBondContact O-CB 3.45Å; S133-D137 PolarHBondContact O-N 2.97Å; S133-D164 WeakPolarHBondContact CB-OD2 3.39Å; S133-D164 VanDerWaalsContact OG-CG 3.28Å; S133-D164 PolarHBondContact OG-OD1 3.41Å; S133-D164 PolarHBondContact OG-OD2 3.05Å
134G89.4Confident90.3Very high9 Ų927.8 Ų27.89%0.09315%0.153CC..Hα-helixtrans-63-41.9178.700000113.5R130 W132 F136 D137 E138R130-G134 PolarHBondContact O-N 3Å; W132-G134 PolarHBondContact O-N 3Å; G134-F136 VanDerWaalsContact C-N 3.35Å; G134-D137 PolarHBondContact O-N 2.99Å; G134-E138 WeakPolarHBondContact O-CB 3.3Å; G134-E138 PolarHBondContact O-N 3.09Å; G134-E138 VanDerWaalsContact O-N 3.08Å
135T89.1Confident90.1Very high4 Ų429.3 Ų29.33%0.02516%0.16CC..Hα-helixtrans-64.6-41.8176.4-58.20000111.1A131 W132 S133 M139 L345A131-T135 WeakPolarHBondContact O-CB 3.41Å; A131-T135 PolarHBondContact O-N 3.42Å; A131-T135 PolarHBondContact O-OG1 3.33Å; W132-T135 PolarHBondContact O-N 3.14Å; S133-T135 PolarHBondContact O-N 2.98Å; T135-M139 WeakPolarHBondContact O-CG 3.47Å; T135-M139 PolarHBondContact O-N 3.28Å; T135-L345 HydrophobicContact CG2-CD2 3.97Å; T135-L345 HydrophobicContact CG2-CG 4.47Å
136F91.8Very high89.9Confident65 Ų6533.5 Ų33.529%0.28519%0.186SC..Hα-helixtrans-67-43.5178.1-178.3-100.3000112W132 S133 G134 E138 M139 T140 I144 F166 L345W132-F136 HydrophobicContact CE3-CB 3.85Å; W132-F136 HydrophobicContact CE3-CG 4.41Å; W132-F136 HydrophobicContact CH2-CD2 4.11Å; W132-F136 HydrophobicContact CH2-CG 4.35Å; W132-F136 HydrophobicContact CZ3-CB 3.6Å; W132-F136 HydrophobicContact CZ3-CD1 4.31Å; W132-F136 AromaticContact CZ3-CD2 3.88Å; W132-F136 HydrophobicContact CZ3-CD2 3.88Å; W132-F136 AromaticContact CZ3-CG 3.66Å; W132-F136 HydrophobicContact CZ3-CG 3.66Å; W132-F136 WeakPolarHBondContact O-CB 3.25Å; W132-F136 PolarHBondContact O-N 3.21Å; S133-F136 PolarHBondContact O-N 3.49Å; G134-F136 VanDerWaalsContact C-N 3.35Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E138 PolarHBondContact O-N 2.83Å; F136-M139 WeakPolarHBondContact O-CB 3.36Å; F136-M139 PolarHBondContact O-N 2.91Å; F136-T140 HydrophobicContact CD1-CG2 4.47Å; F136-T140 HydrophobicContact CE1-CG2 4.03Å; F136-T140 HydrophobicContact CZ-CG2 4.08Å; F136-T140 PolarHBondContact O-N 3.14Å; F136-T140 VanDerWaalsContact O-N 3.14Å; F136-I144 HydrophobicContact CD1-CD1 3.98Å; F136-I144 HydrophobicContact CE1-CD1 4.2Å; F136-F166 HydrophobicContact CB-CE1 4.42Å; F136-F166 AromaticContact CD1-CE1 3.81Å; F136-F166 HydrophobicContact CD1-CE1 3.81Å; F136-F166 AromaticContact CD1-CZ 3.96Å; F136-F166 HydrophobicContact CD1-CZ 3.96Å; F136-F166 HydrophobicContact CE1-CE1 4.41Å; F136-F166 HydrophobicContact CE1-CZ 4.12Å; F136-F166 HydrophobicContact CG-CE1 4.25Å; F136-F166 HydrophobicContact CG-CZ 4.49Å; F136-L345 HydrophobicContact CB-CD2 4.16Å; F136-L345 HydrophobicContact CD2-CD1 4.2Å
137D90.9Very high89.8Confident2 Ų238.9 Ų38.91%0.01121%0.209CC..Hα-helixtrans-60.5-45178.7-171.931.8000111.4S133 G134 M139 T140 G141 G142 H143 I144 E145S133-D137 WeakPolarHBondContact O-CB 3.45Å; S133-D137 PolarHBondContact O-N 2.97Å; G134-D137 PolarHBondContact O-N 2.99Å; D137-M139 VanDerWaalsContact C-N 3.31Å; D137-M139 PolarHBondContact O-N 3.04Å; D137-T140 CarbonylContact O-C 3.45Å; D137-T140 WeakPolarHBondContact O-CA 3.45Å; D137-T140 PolarHBondContact O-N 3.3Å; D137-T140 PolarHBondContact O-OG1 3.01Å; D137-G141 PolarHBondContact O-N 3.27Å; D137-G141 VanDerWaalsContact O-N 3.08Å; D137-G142 PolarHBondContact O-N 2.97Å; D137-G142 VanDerWaalsContact OD1-CA 3.32Å; D137-G142 WeakPolarHBondContact OD1-CA 3.27Å; D137-H143 PolarHBondContact OD1-N 3.15Å; D137-H143 VanDerWaalsContact OD1-N 3.1Å; D137-I144 HydrophobicContact CB-CB 4.23Å; D137-I144 HydrophobicContact CB-CD1 4.26Å; D137-I144 HydrophobicContact CB-CG1 4.5Å; D137-I144 WeakPolarHBondContact OD1-CA 3.43Å; D137-I144 WeakPolarHBondContact OD1-CB 3.45Å; D137-I144 WeakPolarHBondContact OD1-CG1 3.46Å; D137-I144 PolarHBondContact OD1-N 3.25Å; D137-E145 WeakPolarHBondContact OD2-CB 3.45Å; D137-E145 PolarHBondContact OD2-N 2.64Å
138E85.9Confident89.7Confident69 Ų6939.1 Ų39.132%0.32221%0.211SC..Hα-helixtrans-60.2-40.1176.9-164.862.9-150.600112G134 F136 T140 G141 S322G134-E138 WeakPolarHBondContact O-CB 3.3Å; G134-E138 PolarHBondContact O-N 3.09Å; G134-E138 VanDerWaalsContact O-N 3.08Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E138 PolarHBondContact O-N 2.83Å; E138-T140 PolarHBondContact O-N 3.2Å; E138-G141 PolarHBondContact O-N 3.09Å; E138-S322 WeakPolarHBondContact CG-OG 3.18Å
139M84Confident89.5Confident80 Ų8043.4 Ų43.439%0.39423%0.23SC..Hα-helixtrans-62.8-29.6173.7-70.8-178.870.600113T135 F136 D137 G141 A341 L345T135-M139 WeakPolarHBondContact O-CG 3.47Å; T135-M139 PolarHBondContact O-N 3.28Å; F136-M139 WeakPolarHBondContact O-CB 3.36Å; F136-M139 PolarHBondContact O-N 2.91Å; D137-M139 VanDerWaalsContact C-N 3.31Å; D137-M139 PolarHBondContact O-N 3.04Å; M139-G141 VanDerWaalsContact C-N 3.35Å; M139-A341 HydrophobicContact CE-CB 3.78Å; M139-A341 HydrophobicContact CG-CB 4.11Å; M139-A341 HydrophobicContact SD-CB 3.62Å; M139-L345 HydrophobicContact SD-CD1 3.69Å; M139-L345 HydrophobicContact SD-CG 4.26Å
140T86.7Confident89.3Confident56 Ų5648 Ų4834%0.34426%0.257SS..THydrogen-bonded Turntrans-88.50.7176.264.10000113.6F136 D137 E138 H143F136-T140 HydrophobicContact CD1-CG2 4.47Å; F136-T140 HydrophobicContact CE1-CG2 4.03Å; F136-T140 HydrophobicContact CZ-CG2 4.08Å; F136-T140 PolarHBondContact O-N 3.14Å; F136-T140 VanDerWaalsContact O-N 3.14Å; D137-T140 CarbonylContact O-C 3.45Å; D137-T140 WeakPolarHBondContact O-CA 3.45Å; D137-T140 PolarHBondContact O-N 3.3Å; D137-T140 PolarHBondContact O-OG1 3.01Å; E138-T140 PolarHBondContact O-N 3.2Å; T140-H143 PolarHBondContact O-CD2 3.25Å; T140-H143 PolarHBondContact O-NE2 2.96Å
141G84.4Confident89.2Confident54 Ų5454.9 Ų54.956%0.55729%0.285SS*.THydrogen-bonded Turntrans88.621.5-179.600000115.1D137 E138 M139 H143D137-G141 PolarHBondContact O-N 3.27Å; D137-G141 VanDerWaalsContact O-N 3.08Å; E138-G141 PolarHBondContact O-N 3.09Å; M139-G141 VanDerWaalsContact C-N 3.35Å; G141-H143 PolarHBondContact O-N 2.83Å
142G86.2Confident89Confident9 Ų959.2 Ų59.29%0.09330%0.303CS..SBendtrans77.618.1172.900000115D137 I144 V146D137-G142 PolarHBondContact O-N 2.97Å; D137-G142 VanDerWaalsContact OD1-CA 3.32Å; D137-G142 WeakPolarHBondContact OD1-CA 3.27Å; G142-I144 PolarHBondContact O-N 2.75Å; G142-V146 VanDerWaalsContact O-CG2 3.27Å; G142-V146 WeakPolarHBondContact O-CG2 3.39Å; G142-V146 PolarHBondContact O-N 3.42Å; G142-V146 VanDerWaalsContact O-N 3.13Å
143H90.3Very high88.7Confident136 Ų13660.9 Ų60.963%0.6332%0.32SS*.Hα-helixtrans-67-33.5-175.1-68.4-50.1000113.4D137 T140 G141 F147D137-H143 PolarHBondContact OD1-N 3.15Å; D137-H143 VanDerWaalsContact OD1-N 3.1Å; T140-H143 PolarHBondContact O-CD2 3.25Å; T140-H143 PolarHBondContact O-NE2 2.96Å; G141-H143 PolarHBondContact O-N 2.83Å; H143-F147 VanDerWaalsContact O-CB 3.32Å; H143-F147 WeakPolarHBondContact O-CB 3.36Å; H143-F147 PolarHBondContact O-N 3.43Å
144I89.3Confident88.2Confident42 Ų4262.6 Ų62.622%0.21533%0.328CS..Hα-helixtrans-69.6-47.4-179.6-55.6173.5000109.6F136 D137 G142 F147 C148F136-I144 HydrophobicContact CD1-CD1 3.98Å; F136-I144 HydrophobicContact CE1-CD1 4.2Å; D137-I144 HydrophobicContact CB-CB 4.23Å; D137-I144 HydrophobicContact CB-CD1 4.26Å; D137-I144 HydrophobicContact CB-CG1 4.5Å; D137-I144 WeakPolarHBondContact OD1-CA 3.43Å; D137-I144 WeakPolarHBondContact OD1-CB 3.45Å; D137-I144 WeakPolarHBondContact OD1-CG1 3.46Å; D137-I144 PolarHBondContact OD1-N 3.25Å; G142-I144 PolarHBondContact O-N 2.75Å; I144-F147 PolarHBondContact O-N 3.25Å; I144-C148 WeakPolarHBondContact O-CB 3.39Å; I144-C148 PolarHBondContact O-N 3.38Å; I144-C148 PolarHBondContact O-SG 2.92Å
145E87.9Confident87.5Confident32 Ų3269.4 Ų69.415%0.1536%0.362CS..Hα-helixtrans-60.9-47.6176.8171.3173.1-141.500111.7D137 F147 C148 K149 Y162 K321D137-E145 WeakPolarHBondContact OD2-CB 3.45Å; D137-E145 PolarHBondContact OD2-N 2.64Å; E145-F147 VanDerWaalsContact C-N 3.31Å; E145-F147 PolarHBondContact O-N 3.31Å; E145-C148 PolarHBondContact O-N 3.04Å; E145-K149 HydrophobicContact CG-CD 3.78Å; E145-K149 HydrophobicContact CG-CG 4.24Å; E145-K149 WeakPolarHBondContact O-CB 3.44Å; E145-K149 WeakPolarHBondContact O-CG 3.45Å; E145-K149 PolarHBondContact O-N 3.24Å; E145-K149 WeakPolarHBondContact OE1-CE 3.39Å; E145-K149 IonicContact OE1-NZ 3.84Å; E145-K149 PolarHBondContact OE1-NZ 2.98Å; E145-Y162 HydrophobicContact CB-CE1 4.3Å; E145-Y162 HydrophobicContact CG-CD1 4.35Å; E145-Y162 HydrophobicContact CG-CE1 3.68Å; E145-K321 IonicContact OE1-NZ 3.1Å; E145-K321 PolarHBondContact OE1-NZ 2.86Å; E145-K321 IonicContact OE2-NZ 2.81Å; E145-K321 PolarHBondContact OE2-NZ 2.91Å
146V89.6Confident86.9Confident89 Ų8971.7 Ų71.754%0.53938%0.378SS..Hα-helixtrans-59.9-44.2180170.60000110.6G142 T150G142-V146 VanDerWaalsContact O-CG2 3.27Å; G142-V146 WeakPolarHBondContact O-CG2 3.39Å; G142-V146 PolarHBondContact O-N 3.42Å; G142-V146 VanDerWaalsContact O-N 3.13Å; V146-T150 WeakPolarHBondContact O-CB 3.3Å; V146-T150 PolarHBondContact O-N 3.44Å; V146-T150 VanDerWaalsContact O-N 3.08Å; V146-T150 PolarHBondContact O-OG1 2.92Å
147F91.2Very high85.9Confident112 Ų11275.1 Ų75.149%0.49141%0.407SS..Hα-helixtrans-60.4-51.2175.7177.6-93.8000111.7H143 I144 E145 K149 T150 Y151 F152H143-F147 VanDerWaalsContact O-CB 3.32Å; H143-F147 WeakPolarHBondContact O-CB 3.36Å; H143-F147 PolarHBondContact O-N 3.43Å; I144-F147 PolarHBondContact O-N 3.25Å; E145-F147 VanDerWaalsContact C-N 3.31Å; E145-F147 PolarHBondContact O-N 3.31Å; F147-K149 PolarHBondContact O-N 3.45Å; F147-T150 PolarHBondContact O-N 3.26Å; F147-Y151 AromaticContact CD2-CD2 3.65Å; F147-Y151 HydrophobicContact CD2-CD2 3.65Å; F147-Y151 AromaticContact CD2-CE2 3.61Å; F147-Y151 HydrophobicContact CD2-CE2 3.61Å; F147-Y151 HydrophobicContact CE1-CD2 4.44Å; F147-Y151 AromaticContact CE2-CD2 3.52Å; F147-Y151 HydrophobicContact CE2-CD2 3.52Å; F147-Y151 AromaticContact CE2-CE2 3.51Å; F147-Y151 HydrophobicContact CE2-CE2 3.51Å; F147-Y151 HydrophobicContact CG-CD2 4.18Å; F147-Y151 AromaticContact CZ-CD2 3.94Å; F147-Y151 HydrophobicContact CZ-CD2 3.94Å; F147-Y151 HydrophobicContact CZ-CE2 4.34Å; F147-Y151 VanDerWaalsContact O-CD2 3.32Å; F147-Y151 WeakPolarHBondContact O-CD2 3.45Å; F147-Y151 PolarHBondContact O-N 3.44Å; F147-Y151 VanDerWaalsContact O-N 3.14Å; F147-F152 HydrophobicContact CE1-CE2 4.34Å
148C89.9Confident84.8Confident5 Ų576.6 Ų76.63%0.03442%0.423CS..Hα-helixtrans-66-40.1-176.5-64.20000112.3I144 E145 T150 F152 Y162I144-C148 WeakPolarHBondContact O-CB 3.39Å; I144-C148 PolarHBondContact O-N 3.38Å; I144-C148 PolarHBondContact O-SG 2.92Å; E145-C148 PolarHBondContact O-N 3.04Å; C148-T150 VanDerWaalsContact C-N 3.31Å; C148-T150 PolarHBondContact O-N 3.46Å; C148-F152 CarbonylContact O-C 3.24Å; C148-F152 VanDerWaalsContact O-CA 3.32Å; C148-F152 WeakPolarHBondContact O-CA 3.36Å; C148-F152 WeakPolarHBondContact O-CB 3.43Å; C148-F152 PolarHBondContact O-N 3.31Å; C148-Y162 HydrophobicContact CB-CD2 3.47Å; C148-Y162 VanDerWaalsContact CB-CD2 3.47Å; C148-Y162 HydrophobicContact CB-CE2 4.25Å; C148-Y162 HydrophobicContact CB-CG 3.89Å
149K88.2Confident84.6Confident92 Ų9276.6 Ų76.640%0.443%0.425SS..Hα-helixtrans-64-35.7174.9-77.8-179169.9170.10112.5E145 F147 S153 Y162E145-K149 HydrophobicContact CG-CD 3.78Å; E145-K149 HydrophobicContact CG-CG 4.24Å; E145-K149 WeakPolarHBondContact O-CB 3.44Å; E145-K149 WeakPolarHBondContact O-CG 3.45Å; E145-K149 PolarHBondContact O-N 3.24Å; E145-K149 WeakPolarHBondContact OE1-CE 3.39Å; E145-K149 IonicContact OE1-NZ 3.84Å; E145-K149 PolarHBondContact OE1-NZ 2.98Å; F147-K149 PolarHBondContact O-N 3.45Å; K149-S153 WeakPolarHBondContact O-CB 3.45Å; K149-Y162 HydrophobicContact CD-CD1 4.27Å; K149-Y162 HydrophobicContact CG-CD1 3.62Å; K149-Y162 HydrophobicContact CG-CE1 4.39Å; K149-Y162 HydrophobicContact CG-CG 4.17Å
150T90.2Very high84.6Confident95 Ų9572.8 Ų72.858%0.58341%0.406SS*.Hα-helixtrans-71.1-42.3-178.5-57.20000112V146 F147 C148V146-T150 WeakPolarHBondContact O-CB 3.3Å; V146-T150 PolarHBondContact O-N 3.44Å; V146-T150 VanDerWaalsContact O-N 3.08Å; V146-T150 PolarHBondContact O-OG1 2.92Å; F147-T150 PolarHBondContact O-N 3.26Å; C148-T150 VanDerWaalsContact C-N 3.31Å; C148-T150 PolarHBondContact O-N 3.46Å
151Y90.2Very high84.5Confident160 Ų16072.6 Ų72.663%0.62741%0.406SS*.Hα-helixtrans-101.3-23.3-173.2-65.9-74.4000114.7F147F147-Y151 AromaticContact CD2-CD2 3.65Å; F147-Y151 HydrophobicContact CD2-CD2 3.65Å; F147-Y151 AromaticContact CD2-CE2 3.61Å; F147-Y151 HydrophobicContact CD2-CE2 3.61Å; F147-Y151 HydrophobicContact CE1-CD2 4.44Å; F147-Y151 AromaticContact CE2-CD2 3.52Å; F147-Y151 HydrophobicContact CE2-CD2 3.52Å; F147-Y151 AromaticContact CE2-CE2 3.51Å; F147-Y151 HydrophobicContact CE2-CE2 3.51Å; F147-Y151 HydrophobicContact CG-CD2 4.18Å; F147-Y151 AromaticContact CZ-CD2 3.94Å; F147-Y151 HydrophobicContact CZ-CD2 3.94Å; F147-Y151 HydrophobicContact CZ-CE2 4.34Å; F147-Y151 VanDerWaalsContact O-CD2 3.32Å; F147-Y151 WeakPolarHBondContact O-CD2 3.45Å; F147-Y151 PolarHBondContact O-N 3.44Å; F147-Y151 VanDerWaalsContact O-N 3.14Å
152F87.8Confident84.8Confident96 Ų9670.5 Ų70.542%0.42138%0.381SS..SBendtrans-137.341.8-170-58-77.4000112.9F147 C148 M154 P163 F165F147-F152 HydrophobicContact CE1-CE2 4.34Å; C148-F152 CarbonylContact O-C 3.24Å; C148-F152 VanDerWaalsContact O-CA 3.32Å; C148-F152 WeakPolarHBondContact O-CA 3.36Å; C148-F152 WeakPolarHBondContact O-CB 3.43Å; C148-F152 PolarHBondContact O-N 3.31Å; F152-M154 PolarHBondContact O-N 3.41Å; F152-P163 HydrophobicContact CB-CG 3.68Å; F152-P163 HydrophobicContact CG-CG 4.44Å; F152-P163 WeakPolarHBondContact O-CD 3.38Å; F152-F165 HydrophobicContact CD1-CZ 4.47Å; F152-F165 AromaticContact CD2-CE2 3.86Å; F152-F165 HydrophobicContact CD2-CE2 3.86Å; F152-F165 HydrophobicContact CD2-CZ 4.45Å; F152-F165 HydrophobicContact CE2-CE2 4.11Å; F152-F165 HydrophobicContact CG-CE2 4.13Å; F152-F165 HydrophobicContact CG-CZ 4.43Å
153S86.4Confident85Confident69 Ų6970.3 Ų70.348%0.48338%0.378SS..  trans-63.8134.7177.852.60000112.6K149K149-S153 WeakPolarHBondContact O-CB 3.45Å
154M83.6Confident85Confident39 Ų3963.9 Ų63.919%0.19235%0.349CS..  trans-114.3105.7174.8-69.3-171.4-5800108.5F152 L159 A160 P161 P163F152-M154 PolarHBondContact O-N 3.41Å; M154-L159 HydrophobicContact SD-CD2 4.4Å; M154-A160 WeakPolarHBondContact CB-O 3.48Å; M154-A160 HydrophobicContact CE-CB 4.11Å; M154-A160 WeakPolarHBondContact CE-O 3.23Å; M154-P161 PolarHBondContact N-O 2.91Å; M154-P163 HydrophobicContact CE-CB 4.09Å; M154-P163 HydrophobicContact CE-CG 4.5Å
155N73.1Confident85.2Confident152 Ų15266.4 Ų66.481%0.81336%0.358SS*.  trans-99.931.9-172.8-70.6-24.4000113.7
156S77.7Confident85.4Confident51 Ų5167.6 Ų67.636%0.35736%0.363SS..SBendtrans-101.3132.9178.156.90000111.7G158 L159S156-G158 PolarHBondContact O-N 3.39Å; S156-L159 PolarHBondContact O-N 2.99Å; S156-L159 WeakPolarHBondContact OG-CB 3.45Å
157P71.2Confident85.6Confident137 Ų13763.3 Ų63.389%0.8934%0.337SS*.THydrogen-bonded Turntrans-60.2128.4178.324.2-32.2000110.8
158G67.9Low85.8Confident34 Ų3459.5 Ų59.535%0.35132%0.323SS..THydrogen-bonded Turntrans93.9-8.217900000116.1S156 R585S156-G158 PolarHBondContact O-N 3.39Å; G158-R585 PolarHBondContact O-NH2 2.85Å
159L81.1Confident86Confident68 Ų6865.2 Ų65.236%0.35635%0.347SS..SBendtrans-97.8164.4167.9-85.672.2000110.8M154 S156 L403M154-L159 HydrophobicContact SD-CD2 4.4Å; S156-L159 PolarHBondContact O-N 2.99Å; S156-L159 WeakPolarHBondContact OG-CB 3.45Å; L159-L403 WeakPolarHBondContact CA-O 3.07Å; L159-L403 HydrophobicContact CD2-CD2 4.35Å
160A84Confident86.3Confident0 Ų061.7 Ų61.70%033%0.333CS..  trans-61149.5171.500000111.3M154 Y162 L403 D405M154-A160 WeakPolarHBondContact CB-O 3.48Å; M154-A160 HydrophobicContact CE-CB 4.11Å; M154-A160 WeakPolarHBondContact CE-O 3.23Å; A160-Y162 WeakPolarHBondContact CB-O 3.46Å; A160-Y162 PolarHBondContact O-N 3.07Å; A160-L403 PolarHBondContact N-O 3.48Å; A160-D405 HydrophobicContact CB-CB 4.33Å
161P85.1Confident86.6Confident53 Ų5357.2 Ų57.234%0.34431%0.305SS..SBendtrans-65.5-24177.924.8-33.3000113.3M154M154-P161 PolarHBondContact N-O 2.91Å
162Y88.9Confident86.8Confident10 Ų1052.8 Ų52.84%0.03929%0.292CS..SBendtrans-151.7152.3176.263.5-90.5000110E145 C148 K149 A160E145-Y162 HydrophobicContact CB-CE1 4.3Å; E145-Y162 HydrophobicContact CG-CD1 4.35Å; E145-Y162 HydrophobicContact CG-CE1 3.68Å; C148-Y162 HydrophobicContact CB-CD2 3.47Å; C148-Y162 VanDerWaalsContact CB-CD2 3.47Å; C148-Y162 HydrophobicContact CB-CE2 4.25Å; C148-Y162 HydrophobicContact CB-CG 3.89Å; K149-Y162 HydrophobicContact CD-CD1 4.27Å; K149-Y162 HydrophobicContact CG-CD1 3.62Å; K149-Y162 HydrophobicContact CG-CE1 4.39Å; K149-Y162 HydrophobicContact CG-CG 4.17Å; A160-Y162 WeakPolarHBondContact CB-O 3.46Å; A160-Y162 PolarHBondContact O-N 3.07Å
163P90.6Very high87Confident4 Ų452.7 Ų52.73%0.02630%0.296CS..  trans-77.7135.117528.6-31.1000111.7F152 M154 F165 F402F152-P163 HydrophobicContact CB-CG 3.68Å; F152-P163 HydrophobicContact CG-CG 4.44Å; F152-P163 WeakPolarHBondContact O-CD 3.38Å; M154-P163 HydrophobicContact CE-CB 4.09Å; M154-P163 HydrophobicContact CE-CG 4.5Å; P163-F165 HydrophobicContact CB-CE2 4.37Å; P163-F165 HydrophobicContact CB-CZ 4.48Å; P163-F165 HydrophobicContact CG-CE2 3.87Å; P163-F165 HydrophobicContact CG-CZ 4.11Å; P163-F165 PolarHBondContact O-N 3.49Å; P163-F402 HydrophobicContact CB-CD1 4.22Å; P163-F402 HydrophobicContact CB-CD2 3.65Å; P163-F402 HydrophobicContact CB-CE1 3.87Å; P163-F402 HydrophobicContact CB-CE2 3.27Å; P163-F402 HydrophobicContact CB-CG 4.12Å; P163-F402 HydrophobicContact CB-CZ 3.38Å; P163-F402 HydrophobicContact CG-CE2 4.19Å; P163-F402 HydrophobicContact CG-CZ 4.11Å
164D91.2Very high87.1Confident2 Ų250.6 Ų50.61%0.01128%0.279CS..  trans-97.686.1-177.3-161.8-30000112.3R130 S133 F166 A167 V168R130-D164 WeakPolarHBondContact CD-OD2 3.26Å; R130-D164 IonicContact CZ-OD2 2.73Å; R130-D164 VanDerWaalsContact NH1-CB 3.33Å; R130-D164 IonicContact NH1-OD2 2.75Å; R130-D164 PolarHBondContact NH1-OD2 3.43Å; S133-D164 WeakPolarHBondContact CB-OD2 3.39Å; S133-D164 VanDerWaalsContact OG-CG 3.28Å; S133-D164 PolarHBondContact OG-OD1 3.41Å; S133-D164 PolarHBondContact OG-OD2 3.05Å; D164-F166 PolarHBondContact O-N 2.99Å; D164-F166 PolarHBondContact OD1-N 3.42Å; D164-A167 HydrophobicContact CB-CB 3.95Å; D164-A167 VanDerWaalsContact CG-CB 3.46Å; D164-A167 PolarHBondContact O-N 2.8Å; D164-A167 WeakPolarHBondContact OD1-CB 3.3Å; D164-A167 PolarHBondContact OD1-N 3.16Å; D164-V168 WeakPolarHBondContact O-CG2 3.05Å; D164-V168 PolarHBondContact O-N 3.21Å
165F92.6Very high87.5Confident94 Ų9448.8 Ų48.841%0.41227%0.27SS..Hα-helixtrans-62.4-29179-64.3-78.4000113.1F152 P163 V168 F169 F402F152-F165 HydrophobicContact CD1-CZ 4.47Å; F152-F165 AromaticContact CD2-CE2 3.86Å; F152-F165 HydrophobicContact CD2-CE2 3.86Å; F152-F165 HydrophobicContact CD2-CZ 4.45Å; F152-F165 HydrophobicContact CE2-CE2 4.11Å; F152-F165 HydrophobicContact CG-CE2 4.13Å; F152-F165 HydrophobicContact CG-CZ 4.43Å; P163-F165 HydrophobicContact CB-CE2 4.37Å; P163-F165 HydrophobicContact CB-CZ 4.48Å; P163-F165 HydrophobicContact CG-CE2 3.87Å; P163-F165 HydrophobicContact CG-CZ 4.11Å; P163-F165 PolarHBondContact O-N 3.49Å; F165-V168 PolarHBondContact O-N 3.05Å; F165-F169 PolarHBondContact O-N 3.45Å; F165-F169 VanDerWaalsContact O-N 3.07Å; F165-F402 HydrophobicContact CD1-CE2 4.17Å; F165-F402 AromaticContact CE1-CE2 3.68Å; F165-F402 HydrophobicContact CE1-CE2 3.68Å; F165-F402 HydrophobicContact CZ-CE2 4.03Å
166F93Very high88.2Confident57 Ų5742.3 Ų42.325%0.2524%0.239CC..Hα-helixtrans-77.1-40.8-176.6-176.3-107.4000111.4W132 F136 D164 V168 F169 L170W132-F166 AromaticContact CE3-CE1 3.57Å; W132-F166 HydrophobicContact CE3-CE1 3.57Å; W132-F166 HydrophobicContact CE3-CZ 4.21Å; W132-F166 HydrophobicContact CH2-CE1 4.35Å; W132-F166 HydrophobicContact CH2-CZ 4.18Å; W132-F166 HydrophobicContact CZ3-CD1 4.5Å; W132-F166 AromaticContact CZ3-CE1 3.24Å; W132-F166 HydrophobicContact CZ3-CE1 3.24Å; W132-F166 AromaticContact CZ3-CZ 3.45Å; W132-F166 HydrophobicContact CZ3-CZ 3.45Å; W132-F166 VanDerWaalsContact CZ3-CZ 3.45Å; F136-F166 HydrophobicContact CB-CE1 4.42Å; F136-F166 AromaticContact CD1-CE1 3.81Å; F136-F166 HydrophobicContact CD1-CE1 3.81Å; F136-F166 AromaticContact CD1-CZ 3.96Å; F136-F166 HydrophobicContact CD1-CZ 3.96Å; F136-F166 HydrophobicContact CE1-CE1 4.41Å; F136-F166 HydrophobicContact CE1-CZ 4.12Å; F136-F166 HydrophobicContact CG-CE1 4.25Å; F136-F166 HydrophobicContact CG-CZ 4.49Å; D164-F166 PolarHBondContact O-N 2.99Å; D164-F166 PolarHBondContact OD1-N 3.42Å; F166-V168 VanDerWaalsContact C-N 3.32Å; F166-V168 PolarHBondContact O-N 3.42Å; F166-F169 PolarHBondContact O-N 3.49Å; F166-L170 WeakPolarHBondContact O-CB 3.32Å; F166-L170 PolarHBondContact O-N 3.18Å
167A93.7Very high88.5Confident0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-59.2-41.3169.100000112.1A129 D164 L170 I171 A401A129-A167 HydrophobicContact CB-CB 4.13Å; D164-A167 HydrophobicContact CB-CB 3.95Å; D164-A167 VanDerWaalsContact CG-CB 3.46Å; D164-A167 PolarHBondContact O-N 2.8Å; D164-A167 WeakPolarHBondContact OD1-CB 3.3Å; D164-A167 PolarHBondContact OD1-N 3.16Å; A167-L170 WeakPolarHBondContact O-CB 3.47Å; A167-L170 PolarHBondContact O-N 2.97Å; A167-I171 WeakPolarHBondContact O-CG1 3.4Å; A167-I171 PolarHBondContact O-N 3.1Å; A167-A401 HydrophobicContact CB-CB 4.39Å
168V95.1Very high89.1Confident31 Ų3138 Ų3819%0.18820%0.204CC..Hα-helixtrans-58.2-49.8175.2166.40000111.4D164 F165 F166 L170 I171 L172 A398 F402D164-V168 WeakPolarHBondContact O-CG2 3.05Å; D164-V168 PolarHBondContact O-N 3.21Å; F165-V168 PolarHBondContact O-N 3.05Å; F166-V168 VanDerWaalsContact C-N 3.32Å; F166-V168 PolarHBondContact O-N 3.42Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 PolarHBondContact O-N 3.49Å; V168-I171 PolarHBondContact O-N 3.29Å; V168-L172 HydrophobicContact CG1-CD1 4.11Å; V168-L172 WeakPolarHBondContact O-CG 3.27Å; V168-L172 PolarHBondContact O-N 3.1Å; V168-L172 VanDerWaalsContact O-N 3.12Å; V168-A398 HydrophobicContact CG1-CB 4.18Å; V168-A398 HydrophobicContact CG2-CB 4.39Å; V168-A398 WeakPolarHBondContact CG2-O 3.41Å; V168-F402 HydrophobicContact CG2-CB 3.89Å; V168-F402 HydrophobicContact CG2-CD2 4.15Å
169F95Very high89.9Confident126 Ų12637 Ų3755%0.55319%0.191SC*.Hα-helixtrans-58.8-45178.1172.5-102.5000111.7F165 F166 I171 L172 L173F165-F169 PolarHBondContact O-N 3.45Å; F165-F169 VanDerWaalsContact O-N 3.07Å; F166-F169 PolarHBondContact O-N 3.49Å; F169-I171 PolarHBondContact O-N 3.38Å; F169-L172 PolarHBondContact O-N 3.04Å; F169-L173 HydrophobicContact CE1-CD2 4.23Å; F169-L173 HydrophobicContact CZ-CD2 4.44Å; F169-L173 VanDerWaalsContact O-CB 3.3Å; F169-L173 WeakPolarHBondContact O-CB 3.48Å; F169-L173 PolarHBondContact O-N 3.15Å
170L94Very high89.9Confident18 Ų1841.8 Ų41.89%0.09421%0.21CC..Hα-helixtrans-58.8-46.6178.7-16988.4000112A129 W132 F166 A167 V168 L173 L174 L352A129-L170 HydrophobicContact CB-CD2 4.16Å; W132-L170 HydrophobicContact CB-CD2 3.95Å; W132-L170 HydrophobicContact CD2-CD1 4.17Å; W132-L170 HydrophobicContact CD2-CD2 4.06Å; W132-L170 HydrophobicContact CE3-CD1 4.31Å; W132-L170 HydrophobicContact CE3-CD2 4.47Å; W132-L170 HydrophobicContact CG-CD2 3.85Å; W132-L170 HydrophobicContact CH2-CD1 4.5Å; W132-L170 HydrophobicContact CZ2-CD1 4.33Å; F166-L170 WeakPolarHBondContact O-CB 3.32Å; F166-L170 PolarHBondContact O-N 3.18Å; A167-L170 WeakPolarHBondContact O-CB 3.47Å; A167-L170 PolarHBondContact O-N 2.97Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 PolarHBondContact O-N 3.49Å; L170-L173 PolarHBondContact O-N 2.86Å; L170-L174 HydrophobicContact CG-CD1 4.44Å; L170-L174 WeakPolarHBondContact O-CG 3.44Å; L170-L174 PolarHBondContact O-N 2.92Å; L170-L352 HydrophobicContact CD2-CD2 3.24Å; L170-L352 HydrophobicContact CG-CD2 3.87Å
171I95.4Very high89.5Confident0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-62.5-46.4179.5-68166.3000110.9T125 A129 A167 V168 F169 L174 S175 G394 A397 A398 A401T125-I171 HydrophobicContact CG2-CD1 4.39Å; T125-I171 HydrophobicContact CG2-CG1 4.09Å; T125-I171 HydrophobicContact CG2-CG2 4Å; A129-I171 HydrophobicContact CB-CD1 3.62Å; A129-I171 HydrophobicContact CB-CG1 3.51Å; A167-I171 WeakPolarHBondContact O-CG1 3.4Å; A167-I171 PolarHBondContact O-N 3.1Å; V168-I171 PolarHBondContact O-N 3.29Å; F169-I171 PolarHBondContact O-N 3.38Å; I171-L174 PolarHBondContact O-N 2.73Å; I171-S175 VanDerWaalsContact O-CB 3.27Å; I171-S175 WeakPolarHBondContact O-CB 2.94Å; I171-S175 PolarHBondContact O-N 2.91Å; I171-S175 PolarHBondContact O-OG 2.93Å; I171-G394 VanDerWaalsContact CG2-O 3.28Å; I171-G394 WeakPolarHBondContact CG2-O 3.5Å; I171-A397 HydrophobicContact CG2-CB 4.2Å; I171-A398 HydrophobicContact CB-CB 4.38Å; I171-A398 HydrophobicContact CD1-CB 4.49Å; I171-A398 HydrophobicContact CG2-CB 4.18Å; I171-A401 HydrophobicContact CD1-CB 3.63Å
172L94.5Very high88.8Confident67 Ų6741 Ų4135%0.35121%0.208SC..Hα-helixtrans-66-39.6-179.4-66.9178000111.7V168 F169 S175 G176 V395 A398V168-L172 HydrophobicContact CG1-CD1 4.11Å; V168-L172 WeakPolarHBondContact O-CG 3.27Å; V168-L172 PolarHBondContact O-N 3.1Å; V168-L172 VanDerWaalsContact O-N 3.12Å; F169-L172 PolarHBondContact O-N 3.04Å; L172-S175 PolarHBondContact O-N 2.7Å; L172-G176 PolarHBondContact O-N 3.45Å; L172-V395 HydrophobicContact CD2-CG2 3.93Å; L172-A398 HydrophobicContact CD2-CB 4.35Å; L172-A398 HydrophobicContact CG-CB 4.4Å
173L91.9Very high88Confident95 Ų9547.9 Ų47.950%0.49724%0.238SC..Hα-helixtrans-60.1-50176-17969.8000111.4F169 L170 G176 L177F169-L173 HydrophobicContact CE1-CD2 4.23Å; F169-L173 HydrophobicContact CZ-CD2 4.44Å; F169-L173 VanDerWaalsContact O-CB 3.3Å; F169-L173 WeakPolarHBondContact O-CB 3.48Å; F169-L173 PolarHBondContact O-N 3.15Å; L170-L173 PolarHBondContact O-N 2.86Å; L173-G176 PolarHBondContact O-N 3.27Å; L173-L177 PolarHBondContact O-N 3.36Å
174L89.8Confident87.2Confident25 Ų2554 Ų5413%0.13127%0.266CS..Hα-helixtrans-72.4-32.3-178.7-65.4-179.8000112.9L170 I171 G176 L177 L178 L352 L353 I356L170-L174 HydrophobicContact CG-CD1 4.44Å; L170-L174 WeakPolarHBondContact O-CG 3.44Å; L170-L174 PolarHBondContact O-N 2.92Å; I171-L174 PolarHBondContact O-N 2.73Å; L174-G176 VanDerWaalsContact C-N 3.3Å; L174-L177 HydrophobicContact CD2-CD2 4.32Å; L174-L177 WeakPolarHBondContact O-CB 3.37Å; L174-L177 PolarHBondContact O-N 3.3Å; L174-L178 WeakPolarHBondContact O-CG 3.32Å; L174-L178 PolarHBondContact O-N 3.41Å; L174-L352 HydrophobicContact CD1-CB 4.15Å; L174-L352 HydrophobicContact CD1-CD2 3.34Å; L174-L352 HydrophobicContact CD1-CG 3.59Å; L174-L353 HydrophobicContact CB-CD2 4.42Å; L174-L353 HydrophobicContact CD2-CD2 4.14Å; L174-I356 HydrophobicContact CB-CD1 3.93Å
175S90.7Very high86.7Confident0 Ų054.3 Ų54.30%027%0.268CS..Hα-helixtrans-63.6-39170.9-59.10000111.4I171 L172 S179 T390I171-S175 VanDerWaalsContact O-CB 3.27Å; I171-S175 WeakPolarHBondContact O-CB 2.94Å; I171-S175 PolarHBondContact O-N 2.91Å; I171-S175 PolarHBondContact O-OG 2.93Å; L172-S175 PolarHBondContact O-N 2.7Å; S175-S179 PolarHBondContact O-N 3.46Å; S175-S179 PolarHBondContact O-OG 3.46Å; S175-T390 WeakPolarHBondContact O-CG2 3.49Å
176G88.3Confident86Confident17 Ų1750.9 Ų50.918%0.17526%0.257CS..Hα-helixtrans-62-48.5170.800000112L172 L173 L174 L178 S179 F180L172-G176 PolarHBondContact O-N 3.45Å; L173-G176 PolarHBondContact O-N 3.27Å; L174-G176 VanDerWaalsContact C-N 3.3Å; G176-L178 PolarHBondContact O-N 3.06Å; G176-S179 VanDerWaalsContact O-CB 3.3Å; G176-S179 WeakPolarHBondContact O-CB 3.45Å; G176-S179 PolarHBondContact O-N 3.02Å; G176-F180 WeakPolarHBondContact O-CD2 3.43Å; G176-F180 WeakPolarHBondContact O-CE2 3.43Å; G176-F180 PolarHBondContact O-N 3.24Å
177L85.2Confident85.6Confident87 Ų8756.1 Ų56.146%0.45528%0.275SS..Hα-helixtrans-55.4-48.2177.8-170.185.6000111.9L173 L174 S179 F180 L353L173-L177 PolarHBondContact O-N 3.36Å; L174-L177 HydrophobicContact CD2-CD2 4.32Å; L174-L177 WeakPolarHBondContact O-CB 3.37Å; L174-L177 PolarHBondContact O-N 3.3Å; L177-S179 PolarHBondContact O-N 3.24Å; L177-F180 PolarHBondContact O-N 3.22Å; L177-F180 VanDerWaalsContact O-N 3.1Å; L177-L353 HydrophobicContact CD2-CD2 4.24Å
178L83.9Confident85.1Confident10 Ų1058.1 Ų58.15%0.05229%0.288CS..Hα-helixtrans-66.1-23.9179.5-76.7168.9000113.2L174 G176 F180 S185 L353 I356 F357 T390L174-L178 WeakPolarHBondContact O-CG 3.32Å; L174-L178 PolarHBondContact O-N 3.41Å; G176-L178 PolarHBondContact O-N 3.06Å; L178-F180 VanDerWaalsContact C-N 3.3Å; L178-F180 PolarHBondContact O-N 3.45Å; L178-S185 WeakPolarHBondContact CD2-OG 3.43Å; L178-L353 HydrophobicContact CD1-CD2 4.15Å; L178-L353 HydrophobicContact CD2-CD2 4.32Å; L178-L353 HydrophobicContact CG-CD2 4.11Å; L178-I356 HydrophobicContact CD1-CB 3.51Å; L178-I356 HydrophobicContact CD1-CG2 3.31Å; L178-F357 HydrophobicContact CD2-CD2 4.04Å; L178-T390 HydrophobicContact CB-CG2 4.33Å
179S84.5Confident84.6Confident12 Ų1257 Ų578%0.08428%0.281CS..Hα-helixtrans-70.2-26.4174.8-61.80000112.6S175 G176 L177 T385S175-S179 PolarHBondContact O-N 3.46Å; S175-S179 PolarHBondContact O-OG 3.46Å; G176-S179 VanDerWaalsContact O-CB 3.3Å; G176-S179 WeakPolarHBondContact O-CB 3.45Å; G176-S179 PolarHBondContact O-N 3.02Å; L177-S179 PolarHBondContact O-N 3.24Å; S179-T385 PolarHBondContact O-OG1 2.99Å
180F81.3Confident84.2Confident170 Ų17054.8 Ų54.875%0.74627%0.271SS*.Hα-helixtrans-81.8-24.8-178.1-68.8-68.9000114.7G176 L177 L178 T383G176-F180 WeakPolarHBondContact O-CD2 3.43Å; G176-F180 WeakPolarHBondContact O-CE2 3.43Å; G176-F180 PolarHBondContact O-N 3.24Å; L177-F180 PolarHBondContact O-N 3.22Å; L177-F180 VanDerWaalsContact O-N 3.1Å; L178-F180 VanDerWaalsContact C-N 3.3Å; L178-F180 PolarHBondContact O-N 3.45Å; F180-T383 VanDerWaalsContact O-CG2 3.26Å; F180-T383 WeakPolarHBondContact O-CG2 3.45Å
181G74.1Confident84.1Confident18 Ų1856.7 Ų56.719%0.18628%0.283CS..  trans162.9136.8172.400000116.2
182V70.5Confident83.8Confident18 Ų1859.9 Ų59.911%0.10930%0.297CS..Hα-helixtrans-71.9-35.7-177.8167.60000113.2S185 A186 F357 R361 T385V182-S185 PolarHBondContact O-N 2.96Å; V182-A186 PolarHBondContact O-N 3.14Å; V182-F357 HydrophobicContact CB-CE2 4.27Å; V182-F357 HydrophobicContact CG1-CE2 3.59Å; V182-F357 HydrophobicContact CG1-CZ 3.7Å; V182-F357 HydrophobicContact CG2-CE2 3.99Å; V182-R361 VanDerWaalsContact CG2-NH2 3.32Å; V182-T385 HydrophobicContact CG2-CG2 3.72Å
183K71.7Confident83.6Confident154 Ų15457 Ų5767%0.6728%0.282SS*.Hα-helixtrans-64.3-46.3-173.4-170.4-176177.6-169.50112.6S185 A186K183-S185 VanDerWaalsContact C-N 3.35Å; K183-A186 PolarHBondContact O-N 2.96Å
184E75.4Confident83.7Confident133 Ų13355.5 Ų55.562%0.62128%0.284SS*.Hα-helixtrans-67.1-39.4177.8-57.5-51.3137.800110.8A186 W187 V188E184-A186 VanDerWaalsContact C-N 3.31Å; E184-A186 PolarHBondContact O-N 3.43Å; E184-W187 PolarHBondContact O-N 2.93Å; E184-V188 PolarHBondContact O-N 3.48Å
185S79.5Confident83.8Confident9 Ų957.9 Ų57.96%0.06330%0.296CS..Hα-helixtrans-61.3-36.5175.9-1730000113L178 V182 K183 W187 V188 N189L178-S185 WeakPolarHBondContact CD2-OG 3.43Å; V182-S185 PolarHBondContact O-N 2.96Å; K183-S185 VanDerWaalsContact C-N 3.35Å; S185-W187 VanDerWaalsContact C-N 3.34Å; S185-W187 PolarHBondContact O-N 3.44Å; S185-V188 PolarHBondContact O-N 3.19Å; S185-N189 WeakPolarHBondContact O-CB 3.28Å; S185-N189 PolarHBondContact O-N 2.99Å
186A78.5Confident83.8Confident21 Ų2157.9 Ų57.917%0.17430%0.296CS..Hα-helixtrans-66.6-35.4179.700000112.4L32 V182 K183 E184 K190L32-A186 HydrophobicContact CD2-CB 4.04Å; V182-A186 PolarHBondContact O-N 3.14Å; K183-A186 PolarHBondContact O-N 2.96Å; E184-A186 VanDerWaalsContact C-N 3.31Å; E184-A186 PolarHBondContact O-N 3.43Å; A186-K190 WeakPolarHBondContact O-CB 3.24Å; A186-K190 PolarHBondContact O-N 3.26Å; A186-K190 VanDerWaalsContact O-N 3.11Å
187W84.1Confident84.1Confident168 Ų16859.3 Ų59.364%0.63630%0.301SS*.Hα-helixtrans-67.9-45.4175.4-178.686.7000111.6E184 S185 N189 K190 V191E184-W187 PolarHBondContact O-N 2.93Å; S185-W187 VanDerWaalsContact C-N 3.34Å; S185-W187 PolarHBondContact O-N 3.44Å; W187-N189 PolarHBondContact O-N 3.46Å; W187-K190 WeakPolarHBondContact O-CB 3.44Å; W187-K190 PolarHBondContact O-N 3.4Å; W187-V191 HydrophobicContact CD2-CG2 4.42Å; W187-V191 HydrophobicContact CH2-CG2 4.3Å; W187-V191 HydrophobicContact CZ2-CG2 4.08Å; W187-V191 PolarHBondContact O-N 2.97Å
188V83.9Confident84.6Confident42 Ų4260.9 Ų60.926%0.25531%0.309SS..Hα-helixtrans-59.6-46.9175.9175.60000110.9E184 S185 K190 V191 F192 L353E184-V188 PolarHBondContact O-N 3.48Å; S185-V188 PolarHBondContact O-N 3.19Å; V188-K190 VanDerWaalsContact C-N 3.28Å; V188-K190 PolarHBondContact O-N 3.45Å; V188-V191 PolarHBondContact O-N 3.31Å; V188-F192 HydrophobicContact CG1-CD2 3.84Å; V188-F192 HydrophobicContact CG1-CE2 3.58Å; V188-F192 HydrophobicContact CG1-CG 4.43Å; V188-F192 HydrophobicContact CG1-CZ 3.97Å; V188-F192 PolarHBondContact O-N 2.87Å; V188-L353 HydrophobicContact CG1-CD1 4.44Å
189N85.1Confident85.1Confident8 Ų860.8 Ų60.84%0.04331%0.309CS..Hα-helixtrans-57.6-42.6178.4-170.674.6000111.6A39 L40 S185 W187 V191 F192 T193 T350A39-N189 PolarHBondContact O-ND2 3.46Å; L40-N189 WeakPolarHBondContact CA-ND2 3.4Å; S185-N189 WeakPolarHBondContact O-CB 3.28Å; S185-N189 PolarHBondContact O-N 2.99Å; W187-N189 PolarHBondContact O-N 3.46Å; N189-V191 PolarHBondContact O-N 3.14Å; N189-F192 PolarHBondContact O-N 3.24Å; N189-T193 WeakPolarHBondContact O-CB 2.98Å; N189-T193 PolarHBondContact O-N 3.08Å; N189-T193 PolarHBondContact O-OG1 2.72Å; N189-T350 WeakPolarHBondContact OD1-CG2 3.31Å
190K86.6Confident85.6Confident79 Ų7960.3 Ų60.334%0.34331%0.305SS..Hα-helixtrans-60.3-44.4177.8-175.1-177.7-59.4177.50112.9D36 A39 A186 W187 V188 A194D36-K190 WeakPolarHBondContact OD1-CE 3.48Å; D36-K190 IonicContact OD1-NZ 3.29Å; D36-K190 PolarHBondContact OD1-NZ 3.08Å; A39-K190 HydrophobicContact CB-CB 4.48Å; A186-K190 WeakPolarHBondContact O-CB 3.24Å; A186-K190 PolarHBondContact O-N 3.26Å; A186-K190 VanDerWaalsContact O-N 3.11Å; W187-K190 WeakPolarHBondContact O-CB 3.44Å; W187-K190 PolarHBondContact O-N 3.4Å; V188-K190 VanDerWaalsContact C-N 3.28Å; V188-K190 PolarHBondContact O-N 3.45Å; K190-A194 WeakPolarHBondContact O-CB 3.49Å; K190-A194 PolarHBondContact O-N 3.47Å; K190-A194 VanDerWaalsContact O-N 3.13Å
191V90.1Very high86.3Confident58 Ų5856.8 Ų56.835%0.35229%0.294SS..Hα-helixtrans-65.3-48.2179.2174.60000110.4W187 V188 N189 A194 I195W187-V191 HydrophobicContact CD2-CG2 4.42Å; W187-V191 HydrophobicContact CH2-CG2 4.3Å; W187-V191 HydrophobicContact CZ2-CG2 4.08Å; W187-V191 PolarHBondContact O-N 2.97Å; V188-V191 PolarHBondContact O-N 3.31Å; N189-V191 PolarHBondContact O-N 3.14Å; V191-A194 WeakPolarHBondContact O-CB 3.34Å; V191-A194 PolarHBondContact O-N 2.95Å; V191-I195 HydrophobicContact CG1-CD1 4.08Å; V191-I195 WeakPolarHBondContact O-CG1 3.4Å; V191-I195 PolarHBondContact O-N 3.43Å; V191-I195 VanDerWaalsContact O-N 3.08Å
192F90.4Very high87.3Confident66 Ų6659.4 Ų59.429%0.28930%0.3SS..Hα-helixtrans-68.3-36.7-178.4-66.6-15.7000113.1V188 N189 A194 I195 N196 C346 T350V188-F192 HydrophobicContact CG1-CD2 3.84Å; V188-F192 HydrophobicContact CG1-CE2 3.58Å; V188-F192 HydrophobicContact CG1-CG 4.43Å; V188-F192 HydrophobicContact CG1-CZ 3.97Å; V188-F192 PolarHBondContact O-N 2.87Å; N189-F192 PolarHBondContact O-N 3.24Å; F192-A194 VanDerWaalsContact C-N 3.31Å; F192-A194 PolarHBondContact O-N 2.92Å; F192-I195 PolarHBondContact O-N 3.41Å; F192-N196 WeakPolarHBondContact O-CB 3.32Å; F192-N196 PolarHBondContact O-N 3.49Å; F192-C346 VanDerWaalsContact CB-SG 3.53Å; F192-C346 WeakPolarHBondContact CD1-SG 3.41Å; F192-T350 HydrophobicContact CB-CG2 4.43Å; F192-T350 WeakPolarHBondContact CB-OG1 3.33Å
193T91.1Very high88.5Confident8 Ų858.6 Ų58.65%0.04930%0.295CS..Hα-helixtrans-61.1-40.8171.8-57.40000111.4A39 V42 N189 N196 V197 T350A39-T193 PolarHBondContact O-OG1 3.49Å; V42-T193 HydrophobicContact CB-CG2 3.88Å; V42-T193 HydrophobicContact CG1-CG2 3.67Å; N189-T193 WeakPolarHBondContact O-CB 2.98Å; N189-T193 PolarHBondContact O-N 3.08Å; N189-T193 PolarHBondContact O-OG1 2.72Å; T193-N196 WeakPolarHBondContact O-CB 3.47Å; T193-N196 PolarHBondContact O-N 3.28Å; T193-V197 HydrophobicContact CG2-CG2 4.45Å; T193-V197 WeakPolarHBondContact O-CG2 3.37Å; T193-V197 PolarHBondContact O-N 2.92Å; T193-T350 WeakPolarHBondContact OG1-CG2 3.31Å
194A92.4Very high89.7Confident63 Ų6352.6 Ų52.652%0.52127%0.27SS..Hα-helixtrans-64-43.3178.500000112K190 V191 F192 L198K190-A194 WeakPolarHBondContact O-CB 3.49Å; K190-A194 PolarHBondContact O-N 3.47Å; K190-A194 VanDerWaalsContact O-N 3.13Å; V191-A194 WeakPolarHBondContact O-CB 3.34Å; V191-A194 PolarHBondContact O-N 2.95Å; F192-A194 VanDerWaalsContact C-N 3.31Å; F192-A194 PolarHBondContact O-N 2.92Å; A194-L198 PolarHBondContact O-N 3.16Å; A194-L198 VanDerWaalsContact O-N 3.13Å
195I92.1Very high90.7Very high75 Ų7551.6 Ų51.639%0.38527%0.268SS..Hα-helixtrans-61.6-45.7174.3-66.3168.5000110.4V191 F192 V197 L198 V199 C346V191-I195 HydrophobicContact CG1-CD1 4.08Å; V191-I195 WeakPolarHBondContact O-CG1 3.4Å; V191-I195 PolarHBondContact O-N 3.43Å; V191-I195 VanDerWaalsContact O-N 3.08Å; F192-I195 PolarHBondContact O-N 3.41Å; I195-V197 PolarHBondContact O-N 3.31Å; I195-L198 PolarHBondContact O-N 3.38Å; I195-V199 HydrophobicContact CG2-CG2 4.33Å; I195-V199 WeakPolarHBondContact O-CG2 3.48Å; I195-V199 PolarHBondContact O-N 3.02Å; I195-C346 HydrophobicContact CG2-CB 4.31Å
196N92.1Very high91.4Very high0 Ų051.4 Ų51.40%027%0.266CS..Hα-helixtrans-56.4-52.2179-176.912.7000111.6L46 Y51 F192 T193 L198 V199 L200 A347L46-N196 WeakPolarHBondContact CB-ND2 3.16Å; L46-N196 PolarHBondContact O-ND2 3.13Å; Y51-N196 WeakPolarHBondContact CE2-OD1 3.43Å; Y51-N196 PolarHBondContact OH-OD1 3.26Å; F192-N196 WeakPolarHBondContact O-CB 3.32Å; F192-N196 PolarHBondContact O-N 3.49Å; T193-N196 WeakPolarHBondContact O-CB 3.47Å; T193-N196 PolarHBondContact O-N 3.28Å; N196-L198 VanDerWaalsContact C-N 3.29Å; N196-L198 PolarHBondContact O-N 3.01Å; N196-V199 PolarHBondContact O-N 3.39Å; N196-L200 WeakPolarHBondContact O-CG 3.11Å; N196-L200 PolarHBondContact O-N 3.39Å; N196-A347 HydrophobicContact CB-CB 3.98Å; N196-A347 WeakPolarHBondContact ND2-CB 3.33Å; N196-A347 VanDerWaalsContact OD1-CB 3.26Å; N196-A347 WeakPolarHBondContact OD1-CB 3.3Å
197V93.8Very high92.1Very high46 Ų4650.4 Ų50.428%0.27926%0.258SS..Hα-helixtrans-59.8-39.9178.8173.40000111.6V42 L46 T193 I195 L200 L201V42-V197 HydrophobicContact CG1-CG2 3.92Å; L46-V197 HydrophobicContact CD1-CG2 4.48Å; T193-V197 HydrophobicContact CG2-CG2 4.45Å; T193-V197 WeakPolarHBondContact O-CG2 3.37Å; T193-V197 PolarHBondContact O-N 2.92Å; I195-V197 PolarHBondContact O-N 3.31Å; V197-L200 PolarHBondContact O-N 3.06Å; V197-L201 HydrophobicContact CG1-CD1 4.2Å; V197-L201 WeakPolarHBondContact O-CG 3.32Å; V197-L201 PolarHBondContact O-N 3.35Å
198L94.9Very high92.7Very high120 Ų12047.6 Ų47.663%0.62825%0.251SS*.Hα-helixtrans-63.8-44.2177.5-172.8155.2000111.9A194 I195 N196 L201 F202A194-L198 PolarHBondContact O-N 3.16Å; A194-L198 VanDerWaalsContact O-N 3.13Å; I195-L198 PolarHBondContact O-N 3.38Å; N196-L198 VanDerWaalsContact C-N 3.29Å; N196-L198 PolarHBondContact O-N 3.01Å; L198-L201 PolarHBondContact O-N 3.04Å; L198-F202 PolarHBondContact O-N 3.5Å
199V94.9Very high93.2Very high8 Ų850.6 Ų50.65%0.04827%0.269CS..Hα-helixtrans-63.9-43.4177.9171.60000110.7I195 N196 L201 F202 V203I195-V199 HydrophobicContact CG2-CG2 4.33Å; I195-V199 WeakPolarHBondContact O-CG2 3.48Å; I195-V199 PolarHBondContact O-N 3.02Å; N196-V199 PolarHBondContact O-N 3.39Å; V199-L201 PolarHBondContact O-N 3.49Å; V199-F202 WeakPolarHBondContact O-CB 3.41Å; V199-F202 PolarHBondContact O-N 3.1Å; V199-F202 VanDerWaalsContact O-N 3.15Å; V199-V203 HydrophobicContact CG1-CG2 4.42Å; V199-V203 WeakPolarHBondContact O-CG2 3.41Å; V199-V203 PolarHBondContact O-N 3.49Å
200L94.8Very high93.6Very high3 Ų354.4 Ų54.42%0.01629%0.285CS..Hα-helixtrans-64.2-40177.4-65.8-180000112.1L46 V50 Y51 N196 V197 F202 V203 I204 A301 V305L46-L200 HydrophobicContact CD1-CD1 3.82Å; L46-L200 HydrophobicContact CD2-CD1 4.23Å; L46-L200 HydrophobicContact CG-CD1 4.45Å; V50-L200 HydrophobicContact CG1-CD1 4.29Å; V50-L200 HydrophobicContact CG1-CD2 4.17Å; V50-L200 HydrophobicContact CG2-CD2 4.2Å; Y51-L200 HydrophobicContact CE1-CD2 3.97Å; Y51-L200 HydrophobicContact CE2-CD2 3.97Å; Y51-L200 VanDerWaalsContact CZ-CD2 3.46Å; Y51-L200 VanDerWaalsContact OH-CD2 3.25Å; Y51-L200 WeakPolarHBondContact OH-CD2 3.29Å; Y51-L200 WeakPolarHBondContact OH-CG 3.48Å; N196-L200 WeakPolarHBondContact O-CG 3.11Å; N196-L200 PolarHBondContact O-N 3.39Å; V197-L200 PolarHBondContact O-N 3.06Å; L200-F202 VanDerWaalsContact C-N 3.29Å; L200-F202 PolarHBondContact O-N 3.07Å; L200-V203 PolarHBondContact O-N 2.73Å; L200-I204 WeakPolarHBondContact O-CG1 3.31Å; L200-I204 PolarHBondContact O-N 3.24Å; L200-A301 HydrophobicContact CD1-CB 4.07Å; L200-V305 HydrophobicContact CB-CG2 4.41Å; L200-V305 HydrophobicContact CD2-CG2 3.92Å
201L96.2Very high93.9Very high96 Ų9652 Ų5250%0.50328%0.282SS..Hα-helixtrans-59.6-42.4172.7-74.6170.6000111.5V197 L198 V199 I204 I205V197-L201 HydrophobicContact CG1-CD1 4.2Å; V197-L201 WeakPolarHBondContact O-CG 3.32Å; V197-L201 PolarHBondContact O-N 3.35Å; L198-L201 PolarHBondContact O-N 3.04Å; V199-L201 PolarHBondContact O-N 3.49Å; L201-I204 PolarHBondContact O-N 3.43Å; L201-I205 VanDerWaalsContact O-CG1 3.28Å; L201-I205 WeakPolarHBondContact O-CG1 3.01Å; L201-I205 PolarHBondContact O-N 3.36Å
202F95.6Very high94Very high73 Ų7353.3 Ų53.332%0.3229%0.287SS..Hα-helixtrans-60.2-46.3174.1168.6-98000111.7L198 V199 L200 I204 I205 S206 F328 A336 V340L198-F202 PolarHBondContact O-N 3.5Å; V199-F202 WeakPolarHBondContact O-CB 3.41Å; V199-F202 PolarHBondContact O-N 3.1Å; V199-F202 VanDerWaalsContact O-N 3.15Å; L200-F202 VanDerWaalsContact C-N 3.29Å; L200-F202 PolarHBondContact O-N 3.07Å; F202-I204 PolarHBondContact O-N 3.35Å; F202-I205 PolarHBondContact O-N 2.89Å; F202-S206 VanDerWaalsContact O-CB 3.3Å; F202-S206 WeakPolarHBondContact O-CB 3.29Å; F202-S206 PolarHBondContact O-N 3.3Å; F202-S206 PolarHBondContact O-OG 3.5Å; F202-F328 HydrophobicContact CE1-CE1 4.24Å; F202-F328 HydrophobicContact CE1-CZ 4.2Å; F202-A336 HydrophobicContact CE1-CB 4.08Å; F202-A336 HydrophobicContact CZ-CB 3.91Å; F202-V340 HydrophobicContact CD1-CG2 4.08Å; F202-V340 HydrophobicContact CE1-CG2 3.92Å
203V95.6Very high94.1Very high0 Ų054.6 Ų54.60%030%0.301CS..Hα-helixtrans-60.7-44.2178.1171.50000111.4V199 L200 S206 G207 V305 L324 F328 V340V199-V203 HydrophobicContact CG1-CG2 4.42Å; V199-V203 WeakPolarHBondContact O-CG2 3.41Å; V199-V203 PolarHBondContact O-N 3.49Å; L200-V203 PolarHBondContact O-N 2.73Å; V203-S206 PolarHBondContact O-OG 2.88Å; V203-G207 PolarHBondContact O-N 3.2Å; V203-V305 HydrophobicContact CG1-CG1 4.29Å; V203-V305 HydrophobicContact CG1-CG2 4.5Å; V203-L324 HydrophobicContact CG1-CD2 3.98Å; V203-F328 HydrophobicContact CG1-CE2 4.33Å; V203-F328 HydrophobicContact CG2-CE2 4.01Å; V203-F328 HydrophobicContact CG2-CZ 4.36Å; V203-V340 HydrophobicContact CG2-CG1 4.03Å; V203-V340 HydrophobicContact CG2-CG2 3.75Å
204I96.6Very high94.2Very high29 Ų2960.5 Ų60.515%0.14932%0.323CS..Hα-helixtrans-61.9-53.1179.5-68.3166000110.1L200 L201 F202 G207 F208 V305L200-I204 WeakPolarHBondContact O-CG1 3.31Å; L200-I204 PolarHBondContact O-N 3.24Å; L201-I204 PolarHBondContact O-N 3.43Å; F202-I204 PolarHBondContact O-N 3.35Å; I204-G207 PolarHBondContact O-N 3.25Å; I204-F208 HydrophobicContact CG2-CD2 3.84Å; I204-F208 HydrophobicContact CG2-CE2 3.79Å; I204-F208 WeakPolarHBondContact O-CD2 3.5Å; I204-F208 PolarHBondContact O-N 3.12Å; I204-V305 HydrophobicContact CD1-CG2 4.12Å; I204-V305 HydrophobicContact CG1-CG2 3.78Å
205I96.1Very high94.2Very high111 Ų11158.1 Ų58.157%0.56930%0.302SS*.Hα-helixtrans-62.5-49.9-177.2-66.2166.4000110.3L201 F202 G207 F208 V209L201-I205 VanDerWaalsContact O-CG1 3.28Å; L201-I205 WeakPolarHBondContact O-CG1 3.01Å; L201-I205 PolarHBondContact O-N 3.36Å; F202-I205 PolarHBondContact O-N 2.89Å; I205-G207 VanDerWaalsContact C-N 3.35Å; I205-G207 PolarHBondContact O-N 3.47Å; I205-F208 PolarHBondContact O-N 3.45Å; I205-V209 VanDerWaalsContact O-CG2 3.26Å; I205-V209 WeakPolarHBondContact O-CG2 3.35Å; I205-V209 PolarHBondContact O-N 2.73Å; I205-V209 VanDerWaalsContact O-N 3.12Å
206S94.4Very high94.3Very high5 Ų557.9 Ų57.94%0.03530%0.296CS..Hα-helixtrans-67-36.3-177.654.90000112.3F202 V203 V209 K210 F328F202-S206 VanDerWaalsContact O-CB 3.3Å; F202-S206 WeakPolarHBondContact O-CB 3.29Å; F202-S206 PolarHBondContact O-N 3.3Å; F202-S206 PolarHBondContact O-OG 3.5Å; V203-S206 PolarHBondContact O-OG 2.88Å; S206-V209 PolarHBondContact O-N 2.94Å; S206-K210 WeakPolarHBondContact O-CB 3.14Å; S206-K210 PolarHBondContact O-N 3.27Å; S206-F328 VanDerWaalsContact OG-CE1 3.31Å; S206-F328 WeakPolarHBondContact OG-CE1 3.37Å; S206-F328 WeakPolarHBondContact OG-CZ 3.32Å
207G94.3Very high94.3Very high0 Ų064.9 Ų64.90%033%0.327CS..Hα-helixtrans-71-33.317700000114.3V203 I204 I205 V209 G211 M312V203-G207 PolarHBondContact O-N 3.2Å; I204-G207 PolarHBondContact O-N 3.25Å; I205-G207 VanDerWaalsContact C-N 3.35Å; I205-G207 PolarHBondContact O-N 3.47Å; G207-V209 VanDerWaalsContact C-N 3.33Å; G207-G211 WeakPolarHBondContact O-CA 3.19Å; G207-G211 PolarHBondContact O-N 2.83Å; G207-M312 WeakPolarHBondContact CA-SD 3.36Å
208F95.2Very high94.1Very high109 Ų10963 Ų6348%0.47832%0.315SS..Hα-helixtrans-69.8-30.1169-79.8-65.5000113I204 I205 A307 L311I204-F208 HydrophobicContact CG2-CD2 3.84Å; I204-F208 HydrophobicContact CG2-CE2 3.79Å; I204-F208 WeakPolarHBondContact O-CD2 3.5Å; I204-F208 PolarHBondContact O-N 3.12Å; I205-F208 PolarHBondContact O-N 3.45Å; F208-A307 HydrophobicContact CE1-CB 4.34Å; F208-A307 HydrophobicContact CZ-CB 3.85Å; F208-L311 HydrophobicContact CD1-CD1 3.91Å; F208-L311 HydrophobicContact CE1-CD1 3.78Å
209V94.8Very high93.8Very high105 Ų10560.7 Ų60.764%0.63631%0.306SS*.Hα-helixtrans-73.9-35.4176.8169.60000112.1I205 S206 G207I205-V209 VanDerWaalsContact O-CG2 3.26Å; I205-V209 WeakPolarHBondContact O-CG2 3.35Å; I205-V209 PolarHBondContact O-N 2.73Å; I205-V209 VanDerWaalsContact O-N 3.12Å; S206-V209 PolarHBondContact O-N 2.94Å; G207-V209 VanDerWaalsContact C-N 3.33Å
210K93.4Very high93.3Very high89 Ų8965 Ų6539%0.38733%0.325SS..Hα-helixtrans-100-7.8-178.7-71.9-61.7-167.9174.10114.7S206 W333S206-K210 WeakPolarHBondContact O-CB 3.14Å; S206-K210 PolarHBondContact O-N 3.27Å; K210-W333 VanDerWaalsContact CE-CZ2 3.49Å; K210-W333 HydrophobicContact CG-CZ2 4.4Å
211G92.8Very high92.7Very high28 Ų2872.6 Ų72.629%0.28936%0.361SS..  trans-69.8143.1-176.600000112.8G207 L311G207-G211 WeakPolarHBondContact O-CA 3.19Å; G207-G211 PolarHBondContact O-N 2.83Å; G211-L311 CarbonylContact C-O 3.35Å; G211-L311 WeakPolarHBondContact CA-O 3.43Å
212D93.4Very high92Very high85 Ų8569.6 Ų69.646%0.45535%0.348SS..  trans-114.4125174.2-169-14.1000110.4Y214 N215 L311D212-Y214 PolarHBondContact O-N 3.14Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.37Å; D212-Y214 PolarHBondContact OD1-N 3.44Å; D212-N215 WeakPolarHBondContact O-CB 3.32Å; D212-N215 PolarHBondContact O-N 3.21Å; D212-L311 PolarHBondContact N-O 2.68Å
213T92.6Very high91.4Very high93 Ų9366.1 Ų66.157%0.57133%0.333SS*.G310 helixtrans-64.3-17.1175.963.50000113.5N215 W216T213-N215 PolarHBondContact O-N 2.95Å; T213-W216 PolarHBondContact O-N 3.38Å; T213-W216 VanDerWaalsContact O-N 3.17Å
214Y92.5Very high90.7Very high132 Ų13267.3 Ų67.352%0.51834%0.34SS..G310 helixtrans-58.7-34.1172.9-177.2-99.8000112D212 W216 K217 I218D212-Y214 PolarHBondContact O-N 3.14Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.37Å; D212-Y214 PolarHBondContact OD1-N 3.44Å; Y214-W216 PolarHBondContact O-N 3.43Å; Y214-K217 CarbonylContact O-C 3.07Å; Y214-K217 PolarHBondContact O-N 3.46Å; Y214-I218 PolarHBondContact O-N 2.86Å
215N92.7Very high89.9Confident13 Ų1370.3 Ų70.37%0.0736%0.356CS..G310 helixtrans-63.3-16.3178.9-68.4-28.5000113.5D212 T213 I218 T310 L311 P314D212-N215 WeakPolarHBondContact O-CB 3.32Å; D212-N215 PolarHBondContact O-N 3.21Å; T213-N215 PolarHBondContact O-N 2.95Å; N215-I218 WeakPolarHBondContact O-CD1 3.36Å; N215-T310 WeakPolarHBondContact CB-O 2.9Å; N215-L311 PolarHBondContact ND2-O 3.22Å; N215-P314 WeakPolarHBondContact OD1-CG 3.45Å
216W93.8Very high89.2Confident70 Ų7067 Ų6727%0.26534%0.341SS..G310 helixtrans-96.1-3.9173.7-7111000113.6P64 V67 T213 Y214 G247 F248 T310 L311P64-W216 HydrophobicContact CB-CD2 4.34Å; P64-W216 HydrophobicContact CB-CG 3.92Å; P64-W216 HydrophobicContact CG-CG 4.33Å; V67-W216 HydrophobicContact CG2-CZ2 4.45Å; T213-W216 PolarHBondContact O-N 3.38Å; T213-W216 VanDerWaalsContact O-N 3.17Å; Y214-W216 PolarHBondContact O-N 3.43Å; W216-G247 CarbonylContact O-C 3.59Å; W216-G247 WeakPolarHBondContact O-CA 3.3Å; W216-F248 HydrophobicContact CB-CD2 4.46Å; W216-F248 AromaticContact CD2-CD2 3.87Å; W216-F248 HydrophobicContact CD2-CD2 3.87Å; W216-F248 AromaticContact CD2-CE2 3.96Å; W216-F248 HydrophobicContact CD2-CE2 3.96Å; W216-F248 AromaticContact CE3-CD2 3.75Å; W216-F248 HydrophobicContact CE3-CD2 3.75Å; W216-F248 AromaticContact CE3-CE2 3.74Å; W216-F248 HydrophobicContact CE3-CE2 3.74Å; W216-F248 HydrophobicContact CG-CD2 4.22Å; W216-F248 HydrophobicContact CH2-CE2 4.03Å; W216-F248 HydrophobicContact CZ2-CE2 4.23Å; W216-F248 HydrophobicContact CZ3-CD2 4.25Å; W216-F248 AromaticContact CZ3-CE2 3.78Å; W216-F248 HydrophobicContact CZ3-CE2 3.78Å; W216-F248 PolarHBondContact O-N 3.49Å; W216-F248 VanDerWaalsContact O-N 3.16Å; W216-T310 PolarHBondContact NE1-OG1 2.92Å; W216-T310 VanDerWaalsContact NE1-OG1 3.15Å; W216-L311 HydrophobicContact CD2-CD2 3.94Å; W216-L311 HydrophobicContact CG-CD2 4.2Å; W216-L311 HydrophobicContact CZ2-CD1 4.28Å; W216-L311 HydrophobicContact CZ2-CD2 4.07Å; W216-L311 HydrophobicContact CZ2-CG 3.9Å
217K92.3Very high88.4Confident148 Ų14866.8 Ų66.864%0.64334%0.34SS*.SBendtrans-122.421.4-176.7-62.4-179-177.7174.80112.6Y214 T219Y214-K217 CarbonylContact O-C 3.07Å; Y214-K217 PolarHBondContact O-N 3.46Å; K217-T219 PolarHBondContact O-N 3.37Å
218I90.2Very high87.5Confident5 Ų567.5 Ų67.53%0.02634%0.344CS..  trans-57.4129.8178.7-63.4160.5000109.4Y214 N215 S222 L223 G246 G247 P314 Y315 Y316Y214-I218 PolarHBondContact O-N 2.86Å; N215-I218 WeakPolarHBondContact O-CD1 3.36Å; I218-S222 VanDerWaalsContact CG2-OG 3.24Å; I218-S222 WeakPolarHBondContact CG2-OG 3.47Å; I218-L223 HydrophobicContact CG2-CD1 4.17Å; I218-L223 HydrophobicContact CG2-CD2 3.82Å; I218-L223 HydrophobicContact CG2-CG 3.79Å; I218-G246 CarbonylContact O-C 3.6Å; I218-G246 WeakPolarHBondContact O-CA 3.43Å; I218-G247 PolarHBondContact O-N 3.33Å; I218-P314 HydrophobicContact CD1-CB 4.09Å; I218-Y315 HydrophobicContact CD1-CD1 4Å; I218-Y315 HydrophobicContact CD1-CE1 3.85Å; I218-Y316 HydrophobicContact CD1-CD1 4.35Å; I218-Y316 HydrophobicContact CD1-CE1 3.9Å; I218-Y316 HydrophobicContact CG2-CE1 4.38Å
219T87.9Confident86.7Confident73 Ų7367.3 Ų67.345%0.44835%0.351SS..BIsolated β-bridgetrans-87151.2-178.556.10000111.8K217 E221 S222 L223K217-T219 PolarHBondContact O-N 3.37Å; T219-E221 VanDerWaalsContact C-N 3.26Å; T219-E221 PolarHBondContact O-N 3.29Å; T219-S222 PolarHBondContact O-N 3.13Å; T219-S222 VanDerWaalsContact O-N 3.12Å; T219-S222 PolarHBondContact O-OG 3.29Å; T219-L223 PolarHBondContact O-N 3.22Å
220E84.4Confident85.7Confident98 Ų9866.8 Ų66.846%0.45835%0.349SS..Hα-helixtrans-55.2-41.1176.6-171.1171.9-174.500112.4S222 L223 V224 V245E220-S222 VanDerWaalsContact C-N 3.27Å; E220-S222 PolarHBondContact O-N 3.4Å; E220-L223 PolarHBondContact O-N 2.95Å; E220-V224 HydrophobicContact CG-CG2 4.35Å; E220-V224 WeakPolarHBondContact O-CG2 3.08Å; E220-V224 PolarHBondContact O-N 3.4Å; E220-V245 WeakPolarHBondContact CB-O 3.42Å; E220-V245 PolarHBondContact N-O 3.48Å
221E81.8Confident84.8Confident162 Ų16269.7 Ų69.776%0.75736%0.357SS*.Hα-helixtrans-56.6-40.5177.8-65.6-179175.100112.6T219 L223 N225T219-E221 VanDerWaalsContact C-N 3.26Å; T219-E221 PolarHBondContact O-N 3.29Å; E221-L223 VanDerWaalsContact C-N 3.33Å; E221-L223 PolarHBondContact O-N 3.27Å; E221-N225 WeakPolarHBondContact O-CB 3.47Å; E221-N225 PolarHBondContact O-N 3Å
222S82.8Confident84Confident34 Ų3475.7 Ų75.724%0.23838%0.383CS..Hα-helixtrans-66-37.417870.80000111.9I218 T219 E220 N225 V226I218-S222 VanDerWaalsContact CG2-OG 3.24Å; I218-S222 WeakPolarHBondContact CG2-OG 3.47Å; T219-S222 PolarHBondContact O-N 3.13Å; T219-S222 VanDerWaalsContact O-N 3.12Å; T219-S222 PolarHBondContact O-OG 3.29Å; E220-S222 VanDerWaalsContact C-N 3.27Å; E220-S222 PolarHBondContact O-N 3.4Å; S222-N225 PolarHBondContact O-N 2.84Å; S222-V226 WeakPolarHBondContact O-CG2 3.41Å; S222-V226 PolarHBondContact O-N 2.67Å
223L82.9Confident83.1Confident0 Ų075.2 Ų75.20%038%0.38CS..Hα-helixtrans-73.9-37.6179.3-63.6169000112.4I218 T219 E220 E221 N225 V226 T227 S241 G244 Y315 Y316I218-L223 HydrophobicContact CG2-CD1 4.17Å; I218-L223 HydrophobicContact CG2-CD2 3.82Å; I218-L223 HydrophobicContact CG2-CG 3.79Å; T219-L223 PolarHBondContact O-N 3.22Å; E220-L223 PolarHBondContact O-N 2.95Å; E221-L223 VanDerWaalsContact C-N 3.33Å; E221-L223 PolarHBondContact O-N 3.27Å; L223-N225 VanDerWaalsContact C-N 3.3Å; L223-V226 PolarHBondContact O-N 3.35Å; L223-T227 WeakPolarHBondContact O-CB 3.18Å; L223-T227 PolarHBondContact O-N 3.47Å; L223-T227 PolarHBondContact O-OG1 3.43Å; L223-S241 WeakPolarHBondContact CB-OG 3.4Å; L223-G244 WeakPolarHBondContact CD1-O 3.46Å; L223-Y315 WeakPolarHBondContact CD1-OH 3.41Å; L223-Y316 HydrophobicContact CD2-CD1 3.45Å; L223-Y316 VanDerWaalsContact CD2-CD1 3.45Å; L223-Y316 HydrophobicContact CD2-CE1 3.69Å; L223-Y316 HydrophobicContact CD2-CG 4.09Å
224V79.9Confident81.8Confident24 Ų2477.1 Ų77.115%0.14540%0.397CS..Hα-helixtrans-61.5-44.1172.5173.30000109.6E220 V226 T227 V228E220-V224 HydrophobicContact CG-CG2 4.35Å; E220-V224 WeakPolarHBondContact O-CG2 3.08Å; E220-V224 PolarHBondContact O-N 3.4Å; V224-V226 PolarHBondContact O-N 2.89Å; V224-T227 PolarHBondContact O-N 2.81Å; V224-V228 HydrophobicContact CG1-CG2 4.31Å; V224-V228 WeakPolarHBondContact O-CB 3.31Å; V224-V228 VanDerWaalsContact O-CG2 3.23Å; V224-V228 WeakPolarHBondContact O-CG2 3.45Å; V224-V228 PolarHBondContact O-N 3.39Å
225N80.1Confident80.3Confident92 Ų9273.6 Ų73.649%0.49240%0.395SS..Hα-helixtrans-60.5-44.1176-16731.1000111.9E221 S222 L223 T227 V228 V229E221-N225 WeakPolarHBondContact O-CB 3.47Å; E221-N225 PolarHBondContact O-N 3Å; S222-N225 PolarHBondContact O-N 2.84Å; L223-N225 VanDerWaalsContact C-N 3.3Å; N225-T227 PolarHBondContact O-N 2.86Å; N225-V228 PolarHBondContact O-N 3.2Å; N225-V229 WeakPolarHBondContact O-CG2 3.46Å; N225-V229 PolarHBondContact O-N 3.35Å
226V80.4Confident78.8Confident42 Ų4279.3 Ų79.326%0.25542%0.423SS..Hα-helixtrans-60.8-43.9173.81730000111.6S222 L223 V224 V228 V229 T230 Y316S222-V226 WeakPolarHBondContact O-CG2 3.41Å; S222-V226 PolarHBondContact O-N 2.67Å; L223-V226 PolarHBondContact O-N 3.35Å; V224-V226 PolarHBondContact O-N 2.89Å; V226-V228 VanDerWaalsContact C-N 3.34Å; V226-V228 PolarHBondContact O-N 3.01Å; V226-V229 PolarHBondContact O-N 3.26Å; V226-T230 VanDerWaalsContact O-CB 3.28Å; V226-T230 WeakPolarHBondContact O-CB 3.46Å; V226-T230 PolarHBondContact O-N 3.11Å; V226-T230 PolarHBondContact O-OG1 3Å; V226-Y316 HydrophobicContact CG1-CD2 4.37Å; V226-Y316 HydrophobicContact CG1-CE2 4.24Å; V226-Y316 HydrophobicContact CG2-CE2 4.31Å
227T77.6Confident77.1Confident1 Ų179.8 Ų79.81%0.00644%0.442CS..Hα-helixtrans-63.1-41.8-179.5-55.40000111.1L223 V224 N225 T230 R231 V239 D242L223-T227 WeakPolarHBondContact O-CB 3.18Å; L223-T227 PolarHBondContact O-N 3.47Å; L223-T227 PolarHBondContact O-OG1 3.43Å; V224-T227 PolarHBondContact O-N 2.81Å; N225-T227 PolarHBondContact O-N 2.86Å; T227-T230 PolarHBondContact O-N 3.3Å; T227-R231 WeakPolarHBondContact O-CB 3.41Å; T227-R231 PolarHBondContact O-N 2.66Å; T227-V239 HydrophobicContact CG2-CG1 4.23Å; T227-D242 HydrophobicContact CG2-CB 4.31Å
228V76.1Confident75.8Confident15 Ų1581 Ų819%0.09146%0.456CS..Hα-helixtrans-64.5-44.8178.2169.50000111.3V224 N225 V226 N232 L233 M236 V239V224-V228 HydrophobicContact CG1-CG2 4.31Å; V224-V228 WeakPolarHBondContact O-CB 3.31Å; V224-V228 VanDerWaalsContact O-CG2 3.23Å; V224-V228 WeakPolarHBondContact O-CG2 3.45Å; V224-V228 PolarHBondContact O-N 3.39Å; N225-V228 PolarHBondContact O-N 3.2Å; V226-V228 VanDerWaalsContact C-N 3.34Å; V226-V228 PolarHBondContact O-N 3.01Å; V228-N232 WeakPolarHBondContact O-CA 3.27Å; V228-N232 PolarHBondContact O-N 2.9Å; V228-L233 HydrophobicContact CG1-CB 4.23Å; V228-L233 WeakPolarHBondContact CG1-O 3.44Å; V228-L233 PolarHBondContact O-N 3.19Å; V228-M236 HydrophobicContact CG1-CG 4.35Å; V228-M236 HydrophobicContact CG2-CG 4.14Å; V228-V239 HydrophobicContact CG2-CG1 4.44Å
229V77.9Confident74.8Confident104 Ų10482.5 Ų82.563%0.6347%0.465SS*.Hα-helixtrans-64.1-45.9175.2173.10000110.9N225 V226 N232N225-V229 WeakPolarHBondContact O-CG2 3.46Å; N225-V229 PolarHBondContact O-N 3.35Å; V226-V229 PolarHBondContact O-N 3.26Å; V229-N232 PolarHBondContact O-N 2.88Å
230T74.3Confident74.1Confident95 Ų9583.4 Ų83.458%0.58347%0.474SS*.Hα-helixtrans-67.2-41.2-175.8-54.70000112.2V226 T227 N232V226-T230 VanDerWaalsContact O-CB 3.28Å; V226-T230 WeakPolarHBondContact O-CB 3.46Å; V226-T230 PolarHBondContact O-N 3.11Å; V226-T230 PolarHBondContact O-OG1 3Å; T227-T230 PolarHBondContact O-N 3.3Å; T230-N232 VanDerWaalsContact C-N 3.28Å
231R74.1Confident73.7Confident149 Ų14979.4 Ų79.456%0.56246%0.457SS*.THydrogen-bonded Turntrans-84.61.6175.3-69.6-169.9176.6-165.6-1.3113.7T227 L233 D242T227-R231 WeakPolarHBondContact O-CB 3.41Å; T227-R231 PolarHBondContact O-N 2.66Å; R231-L233 VanDerWaalsContact C-N 3.25Å; R231-L233 HydrophobicContact CB-CD1 3.54Å; R231-L233 HydrophobicContact CB-CG 3.94Å; R231-L233 HydrophobicContact CG-CD1 4.36Å; R231-L233 PolarHBondContact O-N 3Å; R231-D242 IonicContact CZ-OD1 2.69Å; R231-D242 VanDerWaalsContact CZ-OD1 3.29Å; R231-D242 IonicContact CZ-OD2 3.3Å; R231-D242 IonicContact NE-OD1 2.67Å; R231-D242 IonicContact NE-OD2 2.67Å; R231-D242 PolarHBondContact NE-OD2 2.79Å; R231-D242 IonicContact NH1-OD1 2.93Å; R231-D242 IonicContact NH2-OD1 3.14Å; R231-D242 PolarHBondContact NH2-OD1 3.38Å; R231-D242 IonicContact NH2-OD2 3.15Å; R231-D242 PolarHBondContact NH2-OD2 3.41Å
232N76Confident73.5Confident154 Ų15475 Ų7582%0.82444%0.438SS*.THydrogen-bonded Turntrans50.443.9-177.8-152.88.5000112.8V228 V229 T230V228-N232 WeakPolarHBondContact O-CA 3.27Å; V228-N232 PolarHBondContact O-N 2.9Å; V229-N232 PolarHBondContact O-N 2.88Å; T230-N232 VanDerWaalsContact C-N 3.28Å
233L75.7Confident73.5Confident75 Ų7575.7 Ų75.739%0.39344%0.436SS..  trans-84.4136.9-177.6-78.7152000110.8V228 R231 V239V228-L233 HydrophobicContact CG1-CB 4.23Å; V228-L233 WeakPolarHBondContact CG1-O 3.44Å; V228-L233 PolarHBondContact O-N 3.19Å; R231-L233 VanDerWaalsContact C-N 3.25Å; R231-L233 HydrophobicContact CB-CD1 3.54Å; R231-L233 HydrophobicContact CB-CG 3.94Å; R231-L233 HydrophobicContact CG-CD1 4.36Å; R231-L233 PolarHBondContact O-N 3Å; L233-V239 HydrophobicContact CD1-CG1 4.43Å; L233-V239 HydrophobicContact CD1-CG2 4.43Å
234S64.3Low73.6Confident134 Ų13476.5 Ų76.594%0.93744%0.444SS*.SBendtrans-85.6-7.2-178.455.50000114.7
235A61.2Low74Confident58 Ų5879.2 Ų79.248%0.47946%0.461SS..  trans-138.9137.2-178.800000111.8
236M61.7Low74.3Confident132 Ų13275.1 Ų75.165%0.6544%0.44SS*.  trans-89.3-8.7176.8-66.4-172-83.400113.5V228 N238V228-M236 HydrophobicContact CG1-CG 4.35Å; V228-M236 HydrophobicContact CG2-CG 4.14Å; M236-N238 PolarHBondContact O-N 2.96Å
237A57.7Low74.8Confident81 Ų8174.1 Ų74.167%0.66944%0.438SS*.THydrogen-bonded Turntrans-71.2123.5-177.200000110.5
238N63.8Low75.6Confident173 Ų17377 Ų7793%0.92545%0.451SS*.THydrogen-bonded Turntrans67.126178.1-62.5-9.7000116.8M236M236-N238 PolarHBondContact O-N 2.96Å
239V70.9Confident76.4Confident37 Ų3779.4 Ų79.422%0.22446%0.462CS..  trans-93.8115.7173.7-176.80000110.1T227 V228 L233T227-V239 HydrophobicContact CG2-CG1 4.23Å; V228-V239 HydrophobicContact CG2-CG1 4.44Å; L233-V239 HydrophobicContact CD1-CG1 4.43Å; L233-V239 HydrophobicContact CD1-CG2 4.43Å
240S73.1Confident77.1Confident92 Ų9274.7 Ų74.764%0.64343%0.433SS*.  trans-76.5139.2165.854.50000110D242S240-D242 PolarHBondContact O-N 2.99Å
241S76.3Confident77.9Confident13 Ų1373 Ų739%0.09142%0.417CS..  trans-60132.3172.3165.60000110.8L223 Y243 G244L223-S241 WeakPolarHBondContact CB-OG 3.4Å; S241-Y243 PolarHBondContact O-N 3.49Å; S241-Y243 PolarHBondContact OG-N 2.87Å; S241-Y243 VanDerWaalsContact OG-N 3.09Å; S241-G244 WeakPolarHBondContact CB-O 3.42Å; S241-G244 PolarHBondContact O-N 3.27Å; S241-G244 PolarHBondContact OG-N 3.37Å; S241-G244 PolarHBondContact OG-O 3.45Å
242D76.9Confident78.6Confident69 Ų6967.3 Ų67.337%0.36941%0.405SS..THydrogen-bonded Turntrans-67-16.6172.9-76.9-15.5000112.3T227 R231 S240T227-D242 HydrophobicContact CG2-CB 4.31Å; R231-D242 IonicContact CZ-OD1 2.69Å; R231-D242 VanDerWaalsContact CZ-OD1 3.29Å; R231-D242 IonicContact CZ-OD2 3.3Å; R231-D242 IonicContact NE-OD1 2.67Å; R231-D242 IonicContact NE-OD2 2.67Å; R231-D242 PolarHBondContact NE-OD2 2.79Å; R231-D242 IonicContact NH1-OD1 2.93Å; R231-D242 IonicContact NH2-OD1 3.14Å; R231-D242 PolarHBondContact NH2-OD1 3.38Å; R231-D242 IonicContact NH2-OD2 3.15Å; R231-D242 PolarHBondContact NH2-OD2 3.41Å; S240-D242 PolarHBondContact O-N 2.99Å
243Y83.4Confident79.2Confident50 Ų5066.6 Ų66.620%0.19640%0.395CS..THydrogen-bonded Turntrans-110.917.7-174.2-56.2-72.1000112.8S241 Y251 Y315S241-Y243 PolarHBondContact O-N 3.49Å; S241-Y243 PolarHBondContact OG-N 2.87Å; S241-Y243 VanDerWaalsContact OG-N 3.09Å; Y243-Y251 WeakPolarHBondContact CA-OH 3.37Å; Y243-Y315 PolarHBondContact O-OH 3.27Å
244G85.3Confident79.6Confident16 Ų1667.3 Ų67.317%0.16541%0.406CS..  trans77.8-165.2179.400000114.2L223 S241 G246 P250L223-G244 WeakPolarHBondContact CD1-O 3.46Å; S241-G244 WeakPolarHBondContact CB-O 3.42Å; S241-G244 PolarHBondContact O-N 3.27Å; S241-G244 PolarHBondContact OG-N 3.37Å; S241-G244 PolarHBondContact OG-O 3.45Å; G244-G246 VanDerWaalsContact C-N 3.34Å; G244-G246 PolarHBondContact O-N 3.12Å; G244-P250 WeakPolarHBondContact CA-O 3.16Å
245V86.9Confident80.7Confident81 Ų8161.5 Ų61.549%0.49137%0.367SS..SBendtrans-86.40.4-169.1-59.60000114.4E220 P250E220-V245 WeakPolarHBondContact CB-O 3.42Å; E220-V245 PolarHBondContact N-O 3.48Å; V245-P250 WeakPolarHBondContact CG2-O 3.42Å; V245-P250 PolarHBondContact N-O 3.42Å
246G86.4Confident82.2Confident6 Ų658.7 Ų58.76%0.06234%0.344CS..BIsolated β-bridgetrans77-165.2-176.100000114.6I218 G244 P250I218-G246 CarbonylContact O-C 3.6Å; I218-G246 WeakPolarHBondContact O-CA 3.43Å; G244-G246 VanDerWaalsContact C-N 3.34Å; G244-G246 PolarHBondContact O-N 3.12Å; G246-P250 VanDerWaalsContact O-CA 3.3Å; G246-P250 WeakPolarHBondContact O-CA 3.34Å
247G90.9Very high83.4Confident21 Ų2153.2 Ų53.222%0.21632%0.317CS..SBendtrans69.6-155.2-172.500000113.2W216 I218W216-G247 CarbonylContact O-C 3.59Å; W216-G247 WeakPolarHBondContact O-CA 3.3Å; I218-G247 PolarHBondContact O-N 3.33Å
248F93.8Very high84.6Confident63 Ų6351 Ų5128%0.27630%0.299SS..SBendtrans-76.3-32.3-178.1-173.3-105.6000112.6P64 S65 I68 W216 P250P64-F248 HydrophobicContact CB-CD2 3.64Å; P64-F248 HydrophobicContact CB-CE2 3.96Å; P64-F248 HydrophobicContact CB-CG 4.4Å; P64-F248 WeakPolarHBondContact O-CE2 3.49Å; S65-F248 VanDerWaalsContact CB-O 3.32Å; S65-F248 WeakPolarHBondContact CB-O 3.34Å; S65-F248 PolarHBondContact N-O 2.85Å; I68-F248 HydrophobicContact CD1-CE1 3.67Å; I68-F248 HydrophobicContact CD1-CZ 4.38Å; I68-F248 HydrophobicContact CG1-CE1 4.09Å; I68-F248 HydrophobicContact CG1-CZ 4.34Å; W216-F248 HydrophobicContact CB-CD2 4.46Å; W216-F248 AromaticContact CD2-CD2 3.87Å; W216-F248 HydrophobicContact CD2-CD2 3.87Å; W216-F248 AromaticContact CD2-CE2 3.96Å; W216-F248 HydrophobicContact CD2-CE2 3.96Å; W216-F248 AromaticContact CE3-CD2 3.75Å; W216-F248 HydrophobicContact CE3-CD2 3.75Å; W216-F248 AromaticContact CE3-CE2 3.74Å; W216-F248 HydrophobicContact CE3-CE2 3.74Å; W216-F248 HydrophobicContact CG-CD2 4.22Å; W216-F248 HydrophobicContact CH2-CE2 4.03Å; W216-F248 HydrophobicContact CZ2-CE2 4.23Å; W216-F248 HydrophobicContact CZ3-CD2 4.25Å; W216-F248 AromaticContact CZ3-CE2 3.78Å; W216-F248 HydrophobicContact CZ3-CE2 3.78Å; W216-F248 PolarHBondContact O-N 3.49Å; W216-F248 VanDerWaalsContact O-N 3.16Å; F248-P250 VanDerWaalsContact C-CD 3.48Å; F248-P250 WeakPolarHBondContact O-CD 3.4Å
249M94.6Very high85.8Confident65 Ų6542.8 Ų42.832%0.3226%0.255SS..  trans-12368.8-177.9-59.7177.87900110.9Y251 G252 F253 T256M249-Y251 PolarHBondContact O-N 3.23Å; M249-Y251 VanDerWaalsContact O-N 3.16Å; M249-G252 PolarHBondContact O-N 3.49Å; M249-F253 HydrophobicContact CE-CB 4.01Å; M249-F253 HydrophobicContact CE-CD2 3.98Å; M249-F253 HydrophobicContact CE-CG 4.5Å; M249-T256 WeakPolarHBondContact CE-OG1 3.29Å
250P91.9Very high86.7Confident4 Ų441 Ų413%0.02625%0.245CC..THydrogen-bonded Turntrans-62.2-25.8-173.623.7-33.7000114G244 V245 G246 F248 Y315G244-P250 WeakPolarHBondContact CA-O 3.16Å; V245-P250 WeakPolarHBondContact CG2-O 3.42Å; V245-P250 PolarHBondContact N-O 3.42Å; G246-P250 VanDerWaalsContact O-CA 3.3Å; G246-P250 WeakPolarHBondContact O-CA 3.34Å; F248-P250 VanDerWaalsContact C-CD 3.48Å; F248-P250 WeakPolarHBondContact O-CD 3.4Å; P250-Y315 HydrophobicContact CB-CE2 4.23Å; P250-Y315 WeakPolarHBondContact CB-OH 3.49Å; P250-Y315 HydrophobicContact CG-CE1 4.32Å; P250-Y315 HydrophobicContact CG-CE2 3.91Å
251Y90.6Very high87.3Confident59 Ų5936.8 Ų36.823%0.23122%0.215CC..THydrogen-bonded Turntrans-104.913178.2-54.9-71000112.8K59 D61 Y243 M249 G255 Y315K59-Y251 PolarHBondContact O-OH 3.47Å; D61-Y251 VanDerWaalsContact O-CB 3.23Å; D61-Y251 WeakPolarHBondContact O-CB 3.48Å; D61-Y251 WeakPolarHBondContact O-CD2 3.31Å; Y243-Y251 WeakPolarHBondContact CA-OH 3.37Å; M249-Y251 PolarHBondContact O-N 3.23Å; M249-Y251 VanDerWaalsContact O-N 3.16Å; Y251-G255 PolarHBondContact O-N 3.04Å; Y251-Y315 HydrophobicContact CE2-CE2 4.44Å
252G90Very high87.8Confident31 Ų3136.8 Ų36.832%0.3222%0.215SC..Hα-helixtrans64.8-173.6-176.400000114.1M249 S254 G255 T256M249-G252 PolarHBondContact O-N 3.49Å; G252-S254 VanDerWaalsContact C-N 3.26Å; G252-S254 PolarHBondContact O-N 3.19Å; G252-G255 PolarHBondContact O-N 3.15Å; G252-T256 PolarHBondContact O-N 2.94Å; G252-T256 PolarHBondContact O-OG1 3.35Å
253F87.3Confident88.4Confident139 Ų13933.5 Ų33.561%0.6120%0.197SC*.Hα-helixtrans-65-31.1-179.2-173.9-102.5000112.8M249 T256 L257M249-F253 HydrophobicContact CE-CB 4.01Å; M249-F253 HydrophobicContact CE-CD2 3.98Å; M249-F253 HydrophobicContact CE-CG 4.5Å; F253-T256 PolarHBondContact O-N 3.17Å; F253-L257 WeakPolarHBondContact O-CB 3.26Å; F253-L257 PolarHBondContact O-N 2.79Å
254S85Confident88.7Confident90 Ų9031.1 Ų31.163%0.62919%0.188SC*.Hα-helixtrans-62.1-44.3175.3-166.10000111.4G252 L257 A258G252-S254 VanDerWaalsContact C-N 3.26Å; G252-S254 PolarHBondContact O-N 3.19Å; S254-L257 PolarHBondContact O-N 3.33Å; S254-A258 WeakPolarHBondContact O-CB 3.46Å; S254-A258 PolarHBondContact O-N 3.39Å
255G87.5Confident88.8Confident11 Ų1131 Ų3111%0.11318%0.182CC..Hα-helixtrans-65.8-41.217600000112.9D61 Y251 G252 L257 A258 G259D61-G255 CarbonylContact O-C 3.42Å; D61-G255 VanDerWaalsContact O-C 3.24Å; D61-G255 WeakPolarHBondContact O-CA 3.48Å; Y251-G255 PolarHBondContact O-N 3.04Å; G252-G255 PolarHBondContact O-N 3.15Å; G255-L257 VanDerWaalsContact C-N 3.29Å; G255-L257 PolarHBondContact O-N 3.31Å; G255-A258 PolarHBondContact O-N 3.04Å; G255-G259 PolarHBondContact O-N 3.47Å
256T91.4Very high89Confident0 Ų027.2 Ų27.20%016%0.159CC..Hα-helixtrans-58.6-41.5173.9-50.90000112S65 I68 S69 M249 G252 F253 A260S65-T256 WeakPolarHBondContact CB-OG1 3.03Å; S65-T256 PolarHBondContact OG-OG1 3.25Å; I68-T256 HydrophobicContact CB-CG2 3.97Å; I68-T256 HydrophobicContact CG2-CG2 3.96Å; S69-T256 WeakPolarHBondContact OG-CG2 3.49Å; S69-T256 PolarHBondContact OG-O 2.64Å; M249-T256 WeakPolarHBondContact CE-OG1 3.29Å; G252-T256 PolarHBondContact O-N 2.94Å; G252-T256 PolarHBondContact O-OG1 3.35Å; F253-T256 PolarHBondContact O-N 3.17Å; T256-A260 PolarHBondContact O-N 3.44Å
257L87.2Confident89.3Confident17 Ų1727 Ų279%0.08916%0.157CC..Hα-helixtrans-73.7-41.1-179.7-175.768.4000112.5F253 S254 G255 G259 A260 A261 Y573F253-L257 WeakPolarHBondContact O-CB 3.26Å; F253-L257 PolarHBondContact O-N 2.79Å; S254-L257 PolarHBondContact O-N 3.33Å; G255-L257 VanDerWaalsContact C-N 3.29Å; G255-L257 PolarHBondContact O-N 3.31Å; L257-G259 VanDerWaalsContact C-N 3.34Å; L257-A260 WeakPolarHBondContact O-CB 3.31Å; L257-A260 PolarHBondContact O-N 3.14Å; L257-A260 VanDerWaalsContact O-N 3.1Å; L257-A261 PolarHBondContact O-N 3.05Å; L257-A261 VanDerWaalsContact O-N 3.17Å; L257-Y573 HydrophobicContact CD1-CE1 4.01Å; L257-Y573 HydrophobicContact CD2-CE1 3.51Å; L257-Y573 WeakPolarHBondContact CD2-OH 3.4Å; L257-Y573 HydrophobicContact CG-CE1 4.21Å
258A84.4Confident89.2Confident35 Ų3526.4 Ų26.429%0.28915%0.149SC..Hα-helixtrans-59.9-46.1172.200000110.7S254 G255 A260 A261 T262S254-A258 WeakPolarHBondContact O-CB 3.46Å; S254-A258 PolarHBondContact O-N 3.39Å; G255-A258 PolarHBondContact O-N 3.04Å; A258-A260 PolarHBondContact O-N 3.36Å; A258-A261 WeakPolarHBondContact O-CB 3.23Å; A258-A261 PolarHBondContact O-N 3.37Å; A258-A261 VanDerWaalsContact O-N 3.08Å; A258-T262 PolarHBondContact O-N 3.07Å; A258-T262 PolarHBondContact O-OG1 3.47Å
259G88.1Confident89Confident0 Ų023.8 Ų23.80%014%0.139CC..Hα-helixtrans-59-33.2172.500000113G255 L257 T262 C263G255-G259 PolarHBondContact O-N 3.47Å; L257-G259 VanDerWaalsContact C-N 3.34Å; G259-T262 PolarHBondContact O-N 3.15Å; G259-C263 VanDerWaalsContact O-CB 3.25Å; G259-C263 WeakPolarHBondContact O-CB 3.27Å; G259-C263 PolarHBondContact O-N 3.4Å; G259-C263 PolarHBondContact O-SG 3Å
260A89.9Confident88.9Confident0 Ų020.7 Ų20.70%012%0.124CC..Hα-helixtrans-66.6-36.6175.300000112.5S69 I72 T256 L257 A258 F264S69-A260 WeakPolarHBondContact O-CB 3.48Å; I72-A260 HydrophobicContact CB-CB 4.01Å; I72-A260 HydrophobicContact CD1-CB 4.48Å; I72-A260 HydrophobicContact CG2-CB 3.97Å; T256-A260 PolarHBondContact O-N 3.44Å; L257-A260 WeakPolarHBondContact O-CB 3.31Å; L257-A260 PolarHBondContact O-N 3.14Å; L257-A260 VanDerWaalsContact O-N 3.1Å; A258-A260 PolarHBondContact O-N 3.36Å; A260-F264 PolarHBondContact O-N 3.37Å
261A84.9Confident88.9Confident2 Ų220.5 Ų20.52%0.01712%0.123CC..Hα-helixtrans-65.6-40.717500000111.5L257 A258 F264 L574 Q577L257-A261 PolarHBondContact O-N 3.05Å; L257-A261 VanDerWaalsContact O-N 3.17Å; A258-A261 WeakPolarHBondContact O-CB 3.23Å; A258-A261 PolarHBondContact O-N 3.37Å; A258-A261 VanDerWaalsContact O-N 3.08Å; A261-F264 VanDerWaalsContact O-CB 3.27Å; A261-F264 WeakPolarHBondContact O-CB 3.2Å; A261-F264 PolarHBondContact O-N 2.94Å; A261-L574 HydrophobicContact CB-CD2 4.01Å; A261-Q577 HydrophobicContact CB-CB 4.47Å
262T86.5Confident88.8Confident14 Ų1417.7 Ų17.79%0.08611%0.112CC..Hα-helixtrans-68.8-46.4174.3-46.70000111.3L53 V57 A258 G259 F264 Y265 V410L53-T262 HydrophobicContact CD1-CG2 3.87Å; L53-T262 HydrophobicContact CD2-CG2 4.27Å; L53-T262 HydrophobicContact CG-CG2 4.41Å; V57-T262 HydrophobicContact CG2-CG2 3.66Å; A258-T262 PolarHBondContact O-N 3.07Å; A258-T262 PolarHBondContact O-OG1 3.47Å; G259-T262 PolarHBondContact O-N 3.15Å; T262-F264 PolarHBondContact O-N 3.31Å; T262-F264 VanDerWaalsContact O-N 3.12Å; T262-Y265 VanDerWaalsContact O-CB 3.25Å; T262-Y265 WeakPolarHBondContact O-CB 3.5Å; T262-Y265 PolarHBondContact O-N 3.25Å; T262-Y265 VanDerWaalsContact O-N 3.09Å; T262-V410 HydrophobicContact CG2-CG1 4.32Å
263C90.7Very high89Confident0 Ų016.2 Ų16.20%010%0.097CC..Hα-helixtrans-61.7-19.3177.1-74.30000113.7F70 A73 G259 Y265 A266F70-C263 HydrophobicContact CD1-CB 3.74Å; F70-C263 HydrophobicContact CE1-CB 3.66Å; F70-C263 HydrophobicContact CG-CB 4.28Å; F70-C263 HydrophobicContact CZ-CB 4.16Å; F70-C263 VanDerWaalsContact CZ-SG 3.56Å; A73-C263 HydrophobicContact CB-CB 4.19Å; G259-C263 VanDerWaalsContact O-CB 3.25Å; G259-C263 WeakPolarHBondContact O-CB 3.27Å; G259-C263 PolarHBondContact O-N 3.4Å; G259-C263 PolarHBondContact O-SG 3Å; C263-Y265 PolarHBondContact O-N 3.01Å; C263-A266 WeakPolarHBondContact O-CB 3.35Å; C263-A266 PolarHBondContact O-N 3.4Å
264F89.3Confident89.1Confident0 Ų09.7 Ų9.70%07%0.068CC..G310 helixtrans-56-35.5172.4-177.7-93.5000112.2A76 A260 A261 T262 A266 F267 V268 T417 L418 Y421 L574A76-F264 HydrophobicContact CB-CD2 4.34Å; A76-F264 HydrophobicContact CB-CE2 4.29Å; A260-F264 PolarHBondContact O-N 3.37Å; A261-F264 VanDerWaalsContact O-CB 3.27Å; A261-F264 WeakPolarHBondContact O-CB 3.2Å; A261-F264 PolarHBondContact O-N 2.94Å; T262-F264 PolarHBondContact O-N 3.31Å; T262-F264 VanDerWaalsContact O-N 3.12Å; F264-A266 PolarHBondContact O-N 3.47Å; F264-A266 VanDerWaalsContact O-N 3.11Å; F264-F267 PolarHBondContact O-N 3.49Å; F264-V268 HydrophobicContact CD1-CG2 4.17Å; F264-V268 HydrophobicContact CE1-CG2 3.96Å; F264-T417 HydrophobicContact CE1-CG2 4.2Å; F264-L418 HydrophobicContact CD1-CD1 4.46Å; F264-L418 HydrophobicContact CD1-CD2 3.78Å; F264-L418 HydrophobicContact CD1-CG 3.92Å; F264-L418 HydrophobicContact CD2-CD2 3.96Å; F264-L418 HydrophobicContact CE1-CD2 3.46Å; F264-L418 VanDerWaalsContact CE1-CD2 3.46Å; F264-L418 HydrophobicContact CE1-CG 3.65Å; F264-L418 HydrophobicContact CE2-CD2 3.65Å; F264-L418 HydrophobicContact CG-CD2 4.01Å; F264-L418 HydrophobicContact CZ-CD2 3.37Å; F264-L418 HydrophobicContact CZ-CG 4.06Å; F264-Y421 HydrophobicContact CE1-CD2 4.47Å; F264-Y421 HydrophobicContact CE1-CE2 4.28Å; F264-Y421 HydrophobicContact CE2-CD2 4.37Å; F264-Y421 HydrophobicContact CE2-CE2 4.42Å; F264-Y421 AromaticContact CZ-CD2 3.56Å; F264-Y421 HydrophobicContact CZ-CD2 3.56Å; F264-Y421 AromaticContact CZ-CE2 3.57Å; F264-Y421 HydrophobicContact CZ-CE2 3.57Å; F264-L574 HydrophobicContact CD2-CD1 4.31Å
265Y87.8Confident89.4Confident14 Ų145.4 Ų5.46%0.0554%0.038CC..G310 helixtrans-48.4-40.2172.8166.8-94.9000112.2A48 L53 S127 T262 C263 F267 V268 V410 M413A48-Y265 HydrophobicContact CB-CE1 4.28Å; L53-Y265 HydrophobicContact CD2-CD1 3.55Å; L53-Y265 HydrophobicContact CD2-CE1 4.4Å; L53-Y265 HydrophobicContact CD2-CG 4.18Å; S127-Y265 PolarHBondContact OG-OH 3.44Å; T262-Y265 VanDerWaalsContact O-CB 3.25Å; T262-Y265 WeakPolarHBondContact O-CB 3.5Å; T262-Y265 PolarHBondContact O-N 3.25Å; T262-Y265 VanDerWaalsContact O-N 3.09Å; C263-Y265 PolarHBondContact O-N 3.01Å; Y265-F267 PolarHBondContact O-N 3.34Å; Y265-V268 WeakPolarHBondContact O-CB 3.41Å; Y265-V268 PolarHBondContact O-N 2.83Å; Y265-V410 HydrophobicContact CD1-CG1 4.21Å; Y265-V410 HydrophobicContact CD1-CG2 4.32Å; Y265-V410 HydrophobicContact CD2-CB 4.25Å; Y265-V410 HydrophobicContact CD2-CG1 3.87Å; Y265-V410 HydrophobicContact CD2-CG2 4.03Å; Y265-V410 HydrophobicContact CE1-CG2 4.16Å; Y265-V410 HydrophobicContact CE2-CB 4.5Å; Y265-V410 HydrophobicContact CE2-CG2 3.85Å; Y265-V410 HydrophobicContact CG-CB 4.47Å; Y265-V410 HydrophobicContact CG-CG1 3.67Å; Y265-V410 HydrophobicContact CG-CG2 4.26Å; Y265-M413 HydrophobicContact CD2-CB 4.49Å; Y265-M413 HydrophobicContact CD2-CE 4.36Å; Y265-M413 HydrophobicContact CD2-CG 4.38Å; Y265-M413 HydrophobicContact CD2-SD 3.71Å; Y265-M413 HydrophobicContact CE2-CE 4.22Å; Y265-M413 HydrophobicContact CE2-SD 3.45Å; Y265-M413 WeakPolarHBondContact CE2-SD 3.45Å
266A90.7Very high89.4Confident1 Ų14.9 Ų4.91%0.0083%0.033CC..G310 helixtrans-67.9-19.6-174.700000113.3T45 F70 C263 F264 Y302T45-A266 WeakPolarHBondContact CG2-O 3.39Å; T45-A266 VanDerWaalsContact O-O 3.11Å; F70-A266 HydrophobicContact CE1-CB 3.61Å; F70-A266 HydrophobicContact CZ-CB 4.42Å; C263-A266 WeakPolarHBondContact O-CB 3.35Å; C263-A266 PolarHBondContact O-N 3.4Å; F264-A266 PolarHBondContact O-N 3.47Å; F264-A266 VanDerWaalsContact O-N 3.11Å; A266-Y302 HydrophobicContact CB-CD1 4.13Å; A266-Y302 HydrophobicContact CB-CE1 3.43Å; A266-Y302 VanDerWaalsContact CB-CE1 3.43Å; A266-Y302 HydrophobicContact CB-CE2 4.03Å; A266-Y302 VanDerWaalsContact CB-CZ 3.43Å; A266-Y302 WeakPolarHBondContact O-CE2 3.22Å; A266-Y302 PolarHBondContact O-OH 2.7Å
267F91.8Very high89.1Confident1 Ų14.9 Ų4.90%0.0043%0.033CC..G310 helixtrans-98.1-0.4176.2-72.6-77.5000113.7F70 A73 A74 S77 F264 Y265 F270 L295 C298 F299 Y302F70-F267 AromaticContact CD1-CE2 3.85Å; F70-F267 HydrophobicContact CD1-CE2 3.85Å; A73-F267 HydrophobicContact CB-CD2 3.84Å; A73-F267 HydrophobicContact CB-CE2 3.94Å; A74-F267 HydrophobicContact CB-CE1 3.87Å; A74-F267 HydrophobicContact CB-CE2 3.81Å; A74-F267 HydrophobicContact CB-CZ 3.42Å; A74-F267 VanDerWaalsContact CB-CZ 3.42Å; S77-F267 WeakPolarHBondContact OG-CB 3.44Å; F264-F267 PolarHBondContact O-N 3.49Å; Y265-F267 PolarHBondContact O-N 3.34Å; F267-F270 WeakPolarHBondContact O-CD1 3.46Å; F267-L295 HydrophobicContact CD1-CD2 4.32Å; F267-C298 HydrophobicContact CD1-CB 4.44Å; F267-C298 HydrophobicContact CE1-CB 4.27Å; F267-F299 HydrophobicContact CE1-CB 4.14Å; F267-F299 HydrophobicContact CZ-CB 4.44Å; F267-Y302 HydrophobicContact CD1-CD2 4.3Å; F267-Y302 AromaticContact CE1-CD2 3.75Å; F267-Y302 HydrophobicContact CE1-CD2 3.75Å; F267-Y302 HydrophobicContact CE1-CE2 4.42Å; F267-Y302 HydrophobicContact CE2-CD2 4.28Å; F267-Y302 AromaticContact CZ-CD2 3.71Å; F267-Y302 HydrophobicContact CZ-CD2 3.71Å; F267-Y302 HydrophobicContact CZ-CG 4.16Å
268V89.9Confident89.1Confident9 Ų95.3 Ų5.36%0.0554%0.035CC..THydrogen-bonded Turntrans-74.2134.1173-175.50000109F264 Y265 M413 T417F264-V268 HydrophobicContact CD1-CG2 4.17Å; F264-V268 HydrophobicContact CE1-CG2 3.96Å; Y265-V268 WeakPolarHBondContact O-CB 3.41Å; Y265-V268 PolarHBondContact O-N 2.83Å; V268-M413 HydrophobicContact CB-CE 3.73Å; V268-M413 HydrophobicContact CG1-CE 3.3Å; V268-M413 HydrophobicContact CG2-CE 4.38Å; V268-T417 HydrophobicContact CB-CG2 4.44Å; V268-T417 HydrophobicContact CG1-CG2 3.8Å; V268-T417 HydrophobicContact CG2-CG2 3.81Å
269G90.4Very high89.2Confident7 Ų74 Ų47%0.0722%0.023CC..THydrogen-bonded Turntrans139.7-28.8-179.700000113.6S44 D271 C272S44-G269 VanDerWaalsContact OG-C 3.29Å; S44-G269 WeakPolarHBondContact OG-CA 3.36Å; S44-G269 PolarHBondContact OG-O 3.25Å; G269-D271 PolarHBondContact N-OD1 3.14Å; G269-D271 PolarHBondContact O-N 3.49Å; G269-C272 VanDerWaalsContact O-CB 3.28Å; G269-C272 WeakPolarHBondContact O-CB 3.25Å; G269-C272 PolarHBondContact O-N 2.9Å; G269-C272 VanDerWaalsContact O-N 3.07Å; G269-C272 PolarHBondContact O-SG 3.34Å
270F91.8Very high89.2Confident0 Ų04 Ų40%02%0.023CC..THydrogen-bonded Turntrans-61.8-27.3178.672.4-97.4000113T45 A80 G81 Y84 F267 C272 I273 I291 L295 Y421T45-F270 PolarHBondContact OG1-N 3.01Å; A80-F270 HydrophobicContact CB-CZ 4.19Å; G81-F270 VanDerWaalsContact CA-CE2 3.49Å; Y84-F270 AromaticContact CD2-CE2 3.85Å; Y84-F270 HydrophobicContact CD2-CE2 3.85Å; Y84-F270 HydrophobicContact CD2-CZ 4.29Å; Y84-F270 HydrophobicContact CE2-CE2 4.41Å; Y84-F270 AromaticContact CG-CE2 3.9Å; Y84-F270 HydrophobicContact CG-CE2 3.9Å; F267-F270 WeakPolarHBondContact O-CD1 3.46Å; F270-C272 PolarHBondContact O-N 3.46Å; F270-I273 VanDerWaalsContact O-CB 3.27Å; F270-I273 WeakPolarHBondContact O-CB 3.31Å; F270-I273 WeakPolarHBondContact O-CG1 3.3Å; F270-I273 PolarHBondContact O-N 3.13Å; F270-I273 VanDerWaalsContact O-N 3.1Å; F270-I291 HydrophobicContact CB-CG2 4.48Å; F270-I291 HydrophobicContact CD2-CG1 4.44Å; F270-I291 HydrophobicContact CD2-CG2 3.8Å; F270-I291 HydrophobicContact CE2-CG2 4.5Å; F270-I291 HydrophobicContact CG-CG2 4.37Å; F270-L295 HydrophobicContact CB-CD1 4.39Å; F270-L295 HydrophobicContact CB-CD2 4.13Å; F270-L295 HydrophobicContact CB-CG 4.04Å; F270-L295 HydrophobicContact CD1-CD1 4.07Å; F270-L295 HydrophobicContact CD1-CD2 3.61Å; F270-L295 HydrophobicContact CD1-CG 4.14Å; F270-L295 HydrophobicContact CD2-CD1 4.42Å; F270-L295 HydrophobicContact CE1-CD1 4.45Å; F270-L295 HydrophobicContact CE1-CD2 4.32Å; F270-L295 HydrophobicContact CG-CD1 4.03Å; F270-L295 HydrophobicContact CG-CD2 4.08Å; F270-L295 HydrophobicContact CG-CG 4.14Å; F270-Y421 HydrophobicContact CE1-CD2 4.45Å; F270-Y421 HydrophobicContact CE1-CE1 4.48Å; F270-Y421 AromaticContact CE1-CE2 3.45Å; F270-Y421 HydrophobicContact CE1-CE2 3.45Å; F270-Y421 VanDerWaalsContact CE1-CE2 3.45Å; F270-Y421 AromaticContact CE1-CZ 3.46Å; F270-Y421 VanDerWaalsContact CE1-CZ 3.46Å; F270-Y421 WeakPolarHBondContact CE1-OH 3.4Å; F270-Y421 HydrophobicContact CZ-CD2 4.17Å; F270-Y421 AromaticContact CZ-CE1 3.99Å; F270-Y421 HydrophobicContact CZ-CE1 3.99Å; F270-Y421 AromaticContact CZ-CE2 3.47Å; F270-Y421 HydrophobicContact CZ-CE2 3.47Å; F270-Y421 VanDerWaalsContact CZ-CE2 3.47Å; F270-Y421 AromaticContact CZ-CZ 3.36Å; F270-Y421 WeakPolarHBondContact CZ-OH 2.94Å
271D90.9Very high89.1Confident0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-67.9-15.8178.560-67.2000112.6Y84 Y121 G269 I273 A274 T275 Y421Y84-D271 HydrophobicContact CD1-CB 4.25Å; Y84-D271 HydrophobicContact CE1-CB 3.79Å; Y121-D271 PolarHBondContact OH-OD2 2.9Å; G269-D271 PolarHBondContact N-OD1 3.14Å; G269-D271 PolarHBondContact O-N 3.49Å; D271-I273 PolarHBondContact O-N 3.35Å; D271-A274 PolarHBondContact O-N 3.43Å; D271-T275 PolarHBondContact O-N 2.94Å; D271-T275 PolarHBondContact O-OG1 3.46Å; D271-Y421 HydrophobicContact CB-CE1 4.18Å; D271-Y421 PolarHBondContact OD1-OH 3.15Å; D271-Y421 VanDerWaalsContact OD1-OH 3.07Å
272C89.9Confident89.2Confident1 Ų115 Ų151%0.0078%0.075CC..Hα-helixtrans-61.6-32.9169.680.90000111.3S44 G269 F270 A274 T275 T276 P358S44-C272 PolarHBondContact OG-SG 3.38Å; G269-C272 VanDerWaalsContact O-CB 3.28Å; G269-C272 WeakPolarHBondContact O-CB 3.25Å; G269-C272 PolarHBondContact O-N 2.9Å; G269-C272 VanDerWaalsContact O-N 3.07Å; G269-C272 PolarHBondContact O-SG 3.34Å; F270-C272 PolarHBondContact O-N 3.46Å; C272-A274 PolarHBondContact O-N 3.12Å; C272-T275 WeakPolarHBondContact O-CB 3.4Å; C272-T275 PolarHBondContact O-N 3.22Å; C272-T276 WeakPolarHBondContact O-CG2 3.41Å; C272-P358 HydrophobicContact CB-CB 4.05Å; C272-P358 HydrophobicContact CB-CG 3.79Å
273I92.7Very high89.3Confident0 Ų014.6 Ų14.60%07%0.072CC..Hα-helixtrans-60.8-47.5177.7-60.2176000109.6L37 F270 D271 T275 T276 I287 G290 I291L37-I273 HydrophobicContact CB-CG2 4.15Å; L37-I273 HydrophobicContact CD1-CG2 4.04Å; L37-I273 HydrophobicContact CD2-CG2 4.18Å; L37-I273 HydrophobicContact CG-CG2 4.35Å; F270-I273 VanDerWaalsContact O-CB 3.27Å; F270-I273 WeakPolarHBondContact O-CB 3.31Å; F270-I273 WeakPolarHBondContact O-CG1 3.3Å; F270-I273 PolarHBondContact O-N 3.13Å; F270-I273 VanDerWaalsContact O-N 3.1Å; D271-I273 PolarHBondContact O-N 3.35Å; I273-T275 PolarHBondContact O-N 2.93Å; I273-T276 PolarHBondContact O-N 3.31Å; I273-T276 VanDerWaalsContact O-N 3.13Å; I273-T276 PolarHBondContact O-OG1 3.3Å; I273-I287 HydrophobicContact CG2-CB 4.46Å; I273-I287 HydrophobicContact CG2-CG1 4.43Å; I273-I287 HydrophobicContact CG2-CG2 4.23Å; I273-G290 VanDerWaalsContact CD1-C 3.41Å; I273-G290 WeakPolarHBondContact CD1-O 3.38Å; I273-I291 HydrophobicContact CB-CG1 4.07Å; I273-I291 HydrophobicContact CD1-CG1 4.02Å; I273-I291 HydrophobicContact CG2-CG1 4.12Å
274A91.1Very high89.2Confident1 Ų117.9 Ų17.91%0.0089%0.087CC..Hα-helixtrans-62.6-29.3179.300000112.7Y84 S96 D271 C272 T276Y84-A274 HydrophobicContact CD1-CB 3.96Å; S96-A274 WeakPolarHBondContact OG-CB 3.3Å; D271-A274 PolarHBondContact O-N 3.43Å; C272-A274 PolarHBondContact O-N 3.12Å; A274-T276 PolarHBondContact O-N 3.46Å
275T89.6Confident89.3Confident0 Ų025.6 Ų25.60%012%0.116CC..Hα-helixtrans-69.8-21.8178.4-56.20000112.9T94 S96 D271 C272 I273 G277 P358 R361 V362T94-T275 PolarHBondContact OG1-O 3.28Å; S96-T275 WeakPolarHBondContact CB-OG1 3.1Å; D271-T275 PolarHBondContact O-N 2.94Å; D271-T275 PolarHBondContact O-OG1 3.46Å; C272-T275 WeakPolarHBondContact O-CB 3.4Å; C272-T275 PolarHBondContact O-N 3.22Å; I273-T275 PolarHBondContact O-N 2.93Å; T275-G277 PolarHBondContact O-N 3.16Å; T275-P358 HydrophobicContact CG2-CB 3.93Å; T275-R361 HydrophobicContact CG2-CB 3.75Å; T275-V362 HydrophobicContact CG2-CG2 3.95Å
276T88.3Confident89.5Confident0 Ų025 Ų250%012%0.115CC..THydrogen-bonded Turntrans-91.111.5-174.1640000114.7L32 L37 L40 C272 I273 A274 E278 E279 V280 F357L32-T276 HydrophobicContact CD1-CG2 4.37Å; L37-T276 VanDerWaalsContact CD2-OG1 3.28Å; L37-T276 WeakPolarHBondContact CD2-OG1 3.4Å; L40-T276 HydrophobicContact CD2-CG2 3.95Å; C272-T276 WeakPolarHBondContact O-CG2 3.41Å; I273-T276 PolarHBondContact O-N 3.31Å; I273-T276 VanDerWaalsContact O-N 3.13Å; I273-T276 PolarHBondContact O-OG1 3.3Å; A274-T276 PolarHBondContact O-N 3.46Å; T276-E278 PolarHBondContact O-N 3.19Å; T276-E279 PolarHBondContact O-N 2.56Å; T276-V280 WeakPolarHBondContact O-CG2 3.33Å; T276-V280 PolarHBondContact O-N 3.28Å; T276-F357 HydrophobicContact CG2-CD1 4.13Å; T276-F357 HydrophobicContact CG2-CE1 3.5Å
277G86Confident89.6Confident1 Ų125 Ų251%0.0112%0.115CC..G310 helixtrans-50-37.9-171.700000115.5P92 T275 E279P92-G277 CarbonylContact O-C 3.6Å; T275-G277 PolarHBondContact O-N 3.16Å; G277-E279 VanDerWaalsContact C-N 3.34Å; G277-E279 PolarHBondContact O-N 3.27Å
278E85.6Confident89.7Confident25 Ų2525.3 Ų25.312%0.11712%0.116CC..G310 helixtrans-77.8-13.9-179.6-69.1175.7-168.600114.9L28 R30 T94 T276L28-E278 HydrophobicContact CB-CB 4.5Å; L28-E278 HydrophobicContact CD1-CB 4.19Å; R30-E278 WeakPolarHBondContact CG-O 3.35Å; T94-E278 PolarHBondContact N-OE1 3.22Å; T94-E278 WeakPolarHBondContact OG1-CB 3.22Å; T276-E278 PolarHBondContact O-N 3.19Å
279E86.9Confident90Very high8 Ų828 Ų284%0.03713%0.13CC..G310 helixtrans-100.5-2.3-179.9-68.9179-159.500112.6L28 R30 C31 L32 T276 G277 R361L28-E279 HydrophobicContact CB-CG 3.88Å; L28-E279 HydrophobicContact CD1-CG 4.24Å; R30-E279 CarbonylContact C-O 3.51Å; R30-E279 VanDerWaalsContact CA-O 3.32Å; R30-E279 WeakPolarHBondContact CA-O 3.42Å; C31-E279 PolarHBondContact N-O 3.45Å; L32-E279 HydrophobicContact CD1-CB 3.97Å; L32-E279 HydrophobicContact CG-CB 4.45Å; L32-E279 PolarHBondContact N-O 2.97Å; T276-E279 PolarHBondContact O-N 2.56Å; G277-E279 VanDerWaalsContact C-N 3.34Å; G277-E279 PolarHBondContact O-N 3.27Å; E279-R361 IonicContact OE1-CZ 3.14Å; E279-R361 IonicContact OE1-NE 3.55Å; E279-R361 PolarHBondContact OE1-NE 3.41Å; E279-R361 IonicContact OE1-NH2 3.85Å; E279-R361 PolarHBondContact OE1-NH2 3.47Å; E279-R361 IonicContact OE2-CZ 3.82Å; E279-R361 IonicContact OE2-NE 2.86Å; E279-R361 IonicContact OE2-NH2 2.64Å; E279-R361 PolarHBondContact OE2-NH2 3.26Å
280V89.1Confident90.2Very high0 Ų027.7 Ų27.70%013%0.127CC..BIsolated β-bridgetrans-96.8138.4-177.4177.30000110.5L32 L37 T276 P283 A286L32-V280 HydrophobicContact CB-CG2 4.1Å; L32-V280 WeakPolarHBondContact O-CA 3.33Å; L37-V280 HydrophobicContact CD1-CG1 3.99Å; L37-V280 HydrophobicContact CD1-CG2 3.75Å; L37-V280 HydrophobicContact CD2-CG2 3.69Å; L37-V280 HydrophobicContact CG-CG2 4.07Å; T276-V280 WeakPolarHBondContact O-CG2 3.33Å; T276-V280 PolarHBondContact O-N 3.28Å; V280-P283 HydrophobicContact CB-CB 4.16Å; V280-P283 HydrophobicContact CG1-CB 4.22Å; V280-A286 HydrophobicContact CG1-CB 3.88Å
281K86.7Confident90.3Very high146 Ų14627.7 Ų27.764%0.63513%0.127SC*.SBendtrans-67.8-39.8-179.4-66.5-179-179.3179.50113.6L32L32-K281 PolarHBondContact O-N 3.02Å
282N87.8Confident90.5Very high88 Ų8830.4 Ų30.447%0.47114%0.143SC..SBendtrans-133.574.1178-174.5-3.9000110.7Q284 A286N282-Q284 PolarHBondContact O-N 3.35Å; N282-A286 WeakPolarHBondContact O-CB 3.34Å; N282-A286 PolarHBondContact O-N 3.45Å
283P88.6Confident90.8Very high5 Ų533 Ų333%0.03216%0.159CC..Hα-helixtrans-66.1-35.5-169.424.4-32.2000113.1P92 V280 R285 A286 I287P92-P283 HydrophobicContact CB-CB 3.55Å; P92-P283 HydrophobicContact CB-CG 3.51Å; P92-P283 HydrophobicContact CG-CG 4.19Å; V280-P283 HydrophobicContact CB-CB 4.16Å; V280-P283 HydrophobicContact CG1-CB 4.22Å; P283-R285 PolarHBondContact O-N 3.33Å; P283-R285 VanDerWaalsContact O-N 3.16Å; P283-A286 PolarHBondContact O-N 2.92Å; P283-I287 HydrophobicContact CB-CD1 3.74Å; P283-I287 HydrophobicContact CB-CG1 4.3Å; P283-I287 VanDerWaalsContact O-CB 3.31Å; P283-I287 WeakPolarHBondContact O-CB 3.27Å; P283-I287 WeakPolarHBondContact O-CG1 3.48Å; P283-I287 PolarHBondContact O-N 3.04Å
284Q88.9Confident90.9Very high69 Ų6933 Ų3332%0.32216%0.159SC..Hα-helixtrans-59.8-32.8-175.4-64.686.4-13.200113A89 P92 N282 P288 S554A89-Q284 WeakPolarHBondContact CB-O 3.45Å; P92-Q284 HydrophobicContact CG-CG 4.5Å; N282-Q284 PolarHBondContact O-N 3.35Å; Q284-P288 WeakPolarHBondContact O-CD 3.47Å; Q284-P288 WeakPolarHBondContact O-CG 3.43Å; Q284-S554 WeakPolarHBondContact O-CB 3.42Å; Q284-S554 PolarHBondContact O-OG 3.25Å
285R90.8Very high91.1Very high161 Ų16133.2 Ų33.261%0.60816%0.16SC*.Hα-helixtrans-103.2-36.5178.5-168.5174.8-178.7175.11.3112.7P283 I289P283-R285 PolarHBondContact O-N 3.33Å; P283-R285 VanDerWaalsContact O-N 3.16Å; R285-I289 HydrophobicContact CG-CD1 3.79Å; R285-I289 WeakPolarHBondContact O-CD1 3.41Å; R285-I289 VanDerWaalsContact O-CG1 3.27Å; R285-I289 WeakPolarHBondContact O-CG1 3.42Å; R285-I289 PolarHBondContact O-N 3.48Å
286A92.8Very high91.3Very high3 Ų336.5 Ų36.53%0.02518%0.18CC..Hα-helixtrans-72.6-35.8-175.700000112.9T34 L37 V280 N282 P283 G290T34-A286 HydrophobicContact CG2-CB 4.36Å; T34-A286 WeakPolarHBondContact OG1-CB 3.46Å; L37-A286 HydrophobicContact CD1-CB 3.8Å; V280-A286 HydrophobicContact CG1-CB 3.88Å; N282-A286 WeakPolarHBondContact O-CB 3.34Å; N282-A286 PolarHBondContact O-N 3.45Å; P283-A286 PolarHBondContact O-N 2.92Å; A286-G290 PolarHBondContact O-N 2.87Å
287I93.2Very high91.7Very high1 Ų138.9 Ų38.91%0.00519%0.194CC..Hα-helixtrans-63.9-52.2179.2-66.8169.3000111.3L37 I273 P283 I289 G290 I291L37-I287 HydrophobicContact CD1-CG1 4.38Å; I273-I287 HydrophobicContact CG2-CB 4.46Å; I273-I287 HydrophobicContact CG2-CG1 4.43Å; I273-I287 HydrophobicContact CG2-CG2 4.23Å; P283-I287 HydrophobicContact CB-CD1 3.74Å; P283-I287 HydrophobicContact CB-CG1 4.3Å; P283-I287 VanDerWaalsContact O-CB 3.31Å; P283-I287 WeakPolarHBondContact O-CB 3.27Å; P283-I287 WeakPolarHBondContact O-CG1 3.48Å; P283-I287 PolarHBondContact O-N 3.04Å; I287-I289 PolarHBondContact O-N 2.86Å; I287-G290 PolarHBondContact O-N 3.3Å; I287-I291 HydrophobicContact CG2-CD1 3.77Å; I287-I291 WeakPolarHBondContact O-CG1 3.32Å; I287-I291 PolarHBondContact O-N 3.26Å
288P93.8Very high92.1Very high6 Ų638.9 Ų38.94%0.03919%0.194CC..Hα-helixtrans-58.1-45.3177.5-26.934.6000113.8A85 A89 Q284 G290 I291 V292 F555A85-P288 HydrophobicContact CB-CB 4.04Å; A85-P288 HydrophobicContact CB-CG 4.49Å; A89-P288 HydrophobicContact CB-CG 3.82Å; Q284-P288 WeakPolarHBondContact O-CD 3.47Å; Q284-P288 WeakPolarHBondContact O-CG 3.43Å; P288-G290 VanDerWaalsContact C-N 3.33Å; P288-G290 PolarHBondContact O-N 2.89Å; P288-I291 PolarHBondContact O-N 2.89Å; P288-V292 WeakPolarHBondContact O-CG2 3.3Å; P288-V292 PolarHBondContact O-N 2.83Å; P288-V292 VanDerWaalsContact O-N 3.11Å; P288-F555 HydrophobicContact CB-CB 3.68Å; P288-F555 HydrophobicContact CB-CD1 4.36Å; P288-F555 HydrophobicContact CB-CD2 4.07Å; P288-F555 HydrophobicContact CB-CG 3.76Å; P288-F555 HydrophobicContact CG-CB 3.58Å; P288-F555 HydrophobicContact CG-CG 4.15Å
289I94.6Very high92.6Very high67 Ų6740.3 Ų40.334%0.34420%0.2SC..Hα-helixtrans-62.6-44.7178.7-65.9172.3000109.9T34 R285 I287 I291 V293T34-I289 HydrophobicContact CG2-CB 4.15Å; T34-I289 HydrophobicContact CG2-CG2 3.78Å; R285-I289 HydrophobicContact CG-CD1 3.79Å; R285-I289 WeakPolarHBondContact O-CD1 3.41Å; R285-I289 VanDerWaalsContact O-CG1 3.27Å; R285-I289 WeakPolarHBondContact O-CG1 3.42Å; R285-I289 PolarHBondContact O-N 3.48Å; I287-I289 PolarHBondContact O-N 2.86Å; I289-I291 PolarHBondContact O-N 2.96Å; I289-V293 HydrophobicContact CG2-CG2 4.06Å; I289-V293 VanDerWaalsContact O-CB 3.28Å; I289-V293 WeakPolarHBondContact O-CB 3.46Å; I289-V293 VanDerWaalsContact O-CG2 3.22Å; I289-V293 WeakPolarHBondContact O-CG2 3.48Å; I289-V293 PolarHBondContact O-N 3.33Å
290G94.8Very high93Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-57-49.6178.100000112.3I273 A286 I287 P288 S294I273-G290 VanDerWaalsContact CD1-C 3.41Å; I273-G290 WeakPolarHBondContact CD1-O 3.38Å; A286-G290 PolarHBondContact O-N 2.87Å; I287-G290 PolarHBondContact O-N 3.3Å; P288-G290 VanDerWaalsContact C-N 3.33Å; P288-G290 PolarHBondContact O-N 2.89Å; G290-S294 WeakPolarHBondContact O-CB 3.45Å; G290-S294 PolarHBondContact O-N 3.21Å; G290-S294 PolarHBondContact O-OG 3.39Å
291I94.8Very high93.3Very high0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-63.9-52.4-178.1-67.8167.7000111.2G81 A85 F270 I273 I287 P288 I289 S294 L295G81-I291 WeakPolarHBondContact O-CG2 3.35Å; A85-I291 HydrophobicContact CB-CD1 4.24Å; F270-I291 HydrophobicContact CB-CG2 4.48Å; F270-I291 HydrophobicContact CD2-CG1 4.44Å; F270-I291 HydrophobicContact CD2-CG2 3.8Å; F270-I291 HydrophobicContact CE2-CG2 4.5Å; F270-I291 HydrophobicContact CG-CG2 4.37Å; I273-I291 HydrophobicContact CB-CG1 4.07Å; I273-I291 HydrophobicContact CD1-CG1 4.02Å; I273-I291 HydrophobicContact CG2-CG1 4.12Å; I287-I291 HydrophobicContact CG2-CD1 3.77Å; I287-I291 WeakPolarHBondContact O-CG1 3.32Å; I287-I291 PolarHBondContact O-N 3.26Å; P288-I291 PolarHBondContact O-N 2.89Å; I289-I291 PolarHBondContact O-N 2.96Å; I291-S294 PolarHBondContact O-N 2.63Å; I291-L295 HydrophobicContact CG2-CD1 3.84Å; I291-L295 WeakPolarHBondContact O-CB 3.37Å; I291-L295 WeakPolarHBondContact O-CG 3.21Å; I291-L295 PolarHBondContact O-N 2.92Å
292V94.3Very high93.7Very high56 Ų5638.6 Ų38.634%0.33920%0.199SC..Hα-helixtrans-64.8-46.7-175175.10000111.4L82 P288 L295 T296L82-V292 HydrophobicContact CD2-CG2 3.97Å; P288-V292 WeakPolarHBondContact O-CG2 3.3Å; P288-V292 PolarHBondContact O-N 2.83Å; P288-V292 VanDerWaalsContact O-N 3.11Å; V292-L295 PolarHBondContact O-N 2.87Å; V292-T296 PolarHBondContact O-N 3.33Å; V292-T296 PolarHBondContact O-OG1 3.02Å; V292-T296 VanDerWaalsContact O-OG1 3.04Å
293V95.8Very high94.1Very high56 Ų5638 Ų3834%0.33919%0.192SC..Hα-helixtrans-64.7-44.4180174.60000110.6I38 I289 L295 T296 V297I38-V293 HydrophobicContact CD1-CB 4.33Å; I38-V293 HydrophobicContact CD1-CG1 4.07Å; I38-V293 HydrophobicContact CG1-CB 4.34Å; I38-V293 HydrophobicContact CG1-CG1 4.28Å; I38-V293 HydrophobicContact CG2-CG1 4.07Å; I289-V293 HydrophobicContact CG2-CG2 4.06Å; I289-V293 VanDerWaalsContact O-CB 3.28Å; I289-V293 WeakPolarHBondContact O-CB 3.46Å; I289-V293 VanDerWaalsContact O-CG2 3.22Å; I289-V293 WeakPolarHBondContact O-CG2 3.48Å; I289-V293 PolarHBondContact O-N 3.33Å; V293-L295 PolarHBondContact O-N 2.85Å; V293-T296 PolarHBondContact O-N 3.18Å; V293-V297 HydrophobicContact CG1-CG2 4.43Å; V293-V297 WeakPolarHBondContact O-CG2 3.48Å; V293-V297 PolarHBondContact O-N 3.34Å
294S95.4Very high94.4Very high0 Ų038.1 Ų38.10%019%0.194CC..Hα-helixtrans-61.7-46.9179.5-56.70000111.4I38 G290 I291 T296 V297 C298I38-S294 PolarHBondContact O-OG 2.94Å; G290-S294 WeakPolarHBondContact O-CB 3.45Å; G290-S294 PolarHBondContact O-N 3.21Å; G290-S294 PolarHBondContact O-OG 3.39Å; I291-S294 PolarHBondContact O-N 2.63Å; S294-T296 VanDerWaalsContact C-N 3.34Å; S294-T296 PolarHBondContact O-N 3.33Å; S294-V297 PolarHBondContact O-N 3.17Å; S294-C298 WeakPolarHBondContact O-CB 3.33Å; S294-C298 PolarHBondContact O-N 3.37Å; S294-C298 PolarHBondContact O-SG 3.34Å
295L94.7Very high94.8Very high5 Ų534.9 Ų34.93%0.02618%0.179CC..Hα-helixtrans-62.3-39.4178.6-78.7173.2000112.8V78 F267 F270 I291 V292 V293 C298 F299V78-L295 HydrophobicContact CG2-CB 4.36Å; F267-L295 HydrophobicContact CD1-CD2 4.32Å; F270-L295 HydrophobicContact CB-CD1 4.39Å; F270-L295 HydrophobicContact CB-CD2 4.13Å; F270-L295 HydrophobicContact CB-CG 4.04Å; F270-L295 HydrophobicContact CD1-CD1 4.07Å; F270-L295 HydrophobicContact CD1-CD2 3.61Å; F270-L295 HydrophobicContact CD1-CG 4.14Å; F270-L295 HydrophobicContact CD2-CD1 4.42Å; F270-L295 HydrophobicContact CE1-CD1 4.45Å; F270-L295 HydrophobicContact CE1-CD2 4.32Å; F270-L295 HydrophobicContact CG-CD1 4.03Å; F270-L295 HydrophobicContact CG-CD2 4.08Å; F270-L295 HydrophobicContact CG-CG 4.14Å; I291-L295 HydrophobicContact CG2-CD1 3.84Å; I291-L295 WeakPolarHBondContact O-CB 3.37Å; I291-L295 WeakPolarHBondContact O-CG 3.21Å; I291-L295 PolarHBondContact O-N 2.92Å; V292-L295 PolarHBondContact O-N 2.87Å; V293-L295 PolarHBondContact O-N 2.85Å; L295-C298 PolarHBondContact O-N 3.19Å; L295-F299 WeakPolarHBondContact O-CB 3.47Å; L295-F299 PolarHBondContact O-N 2.98Å
296T94.9Very high95Very high70 Ų7027.2 Ų27.243%0.42915%0.15SC..Hα-helixtrans-65.2-45.3176.2-61.30000111.7V292 V293 S294 C298 F299 L300V292-T296 PolarHBondContact O-N 3.33Å; V292-T296 PolarHBondContact O-OG1 3.02Å; V292-T296 VanDerWaalsContact O-OG1 3.04Å; V293-T296 PolarHBondContact O-N 3.18Å; S294-T296 VanDerWaalsContact C-N 3.34Å; S294-T296 PolarHBondContact O-N 3.33Å; T296-C298 VanDerWaalsContact C-N 3.33Å; T296-C298 PolarHBondContact O-N 3.5Å; T296-F299 PolarHBondContact O-N 3.48Å; T296-L300 HydrophobicContact CG2-CD1 4.37Å; T296-L300 WeakPolarHBondContact O-CG 3.45Å; T296-L300 PolarHBondContact O-N 2.91Å; T296-L300 VanDerWaalsContact O-N 3.1Å
297V95.6Very high95.2Very high50 Ų5027.3 Ų27.330%0.30315%0.151SC..Hα-helixtrans-60.9-44.8176.2170.90000110.7V42 V293 S294 L300 A301V42-V297 HydrophobicContact CG1-CG1 4.13Å; V42-V297 HydrophobicContact CG2-CB 4.15Å; V42-V297 HydrophobicContact CG2-CG1 4.07Å; V293-V297 HydrophobicContact CG1-CG2 4.43Å; V293-V297 WeakPolarHBondContact O-CG2 3.48Å; V293-V297 PolarHBondContact O-N 3.34Å; S294-V297 PolarHBondContact O-N 3.17Å; V297-L300 PolarHBondContact O-N 3.34Å; V297-A301 WeakPolarHBondContact O-CB 3.32Å; V297-A301 PolarHBondContact O-N 2.88Å
298C95.5Very high95.3Very high0 Ų027.3 Ų27.30%015%0.151CC..Hα-helixtrans-63-44.7178.7-640000111.4T45 L46 F267 S294 L295 T296 L300 A301 Y302T45-C298 VanDerWaalsContact CB-SG 3.59Å; T45-C298 HydrophobicContact CG2-CB 3.98Å; L46-C298 HydrophobicContact CD2-CB 4.2Å; F267-C298 HydrophobicContact CD1-CB 4.44Å; F267-C298 HydrophobicContact CE1-CB 4.27Å; S294-C298 WeakPolarHBondContact O-CB 3.33Å; S294-C298 PolarHBondContact O-N 3.37Å; S294-C298 PolarHBondContact O-SG 3.34Å; L295-C298 PolarHBondContact O-N 3.19Å; T296-C298 VanDerWaalsContact C-N 3.33Å; T296-C298 PolarHBondContact O-N 3.5Å; C298-L300 PolarHBondContact O-N 2.81Å; C298-A301 PolarHBondContact O-N 3.5Å; C298-Y302 HydrophobicContact CB-CD2 4.16Å; C298-Y302 HydrophobicContact CB-CE2 4.16Å; C298-Y302 WeakPolarHBondContact O-CB 3.3Å; C298-Y302 WeakPolarHBondContact O-CD2 3.18Å; C298-Y302 PolarHBondContact O-N 3.25Å
299F95.3Very high95.4Very high56 Ų5627 Ų2725%0.24615%0.149CC..Hα-helixtrans-56.7-49.7177.3164-112.5000112.1L71 A74 F267 L295 T296 A301 Y302 F303L71-F299 HydrophobicContact CD1-CE2 3.6Å; L71-F299 HydrophobicContact CD1-CZ 3.75Å; A74-F299 HydrophobicContact CB-CB 4.17Å; A74-F299 HydrophobicContact CB-CD2 3.34Å; A74-F299 HydrophobicContact CB-CE2 4.07Å; A74-F299 HydrophobicContact CB-CG 4.04Å; F267-F299 HydrophobicContact CE1-CB 4.14Å; F267-F299 HydrophobicContact CZ-CB 4.44Å; L295-F299 WeakPolarHBondContact O-CB 3.47Å; L295-F299 PolarHBondContact O-N 2.98Å; T296-F299 PolarHBondContact O-N 3.48Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 3.33Å; F299-Y302 PolarHBondContact O-N 3.44Å; F299-F303 HydrophobicContact CD2-CB 4.4Å; F299-F303 HydrophobicContact CE2-CB 4.07Å; F299-F303 HydrophobicContact CE2-CD2 4.1Å; F299-F303 HydrophobicContact CE2-CG 4.34Å; F299-F303 HydrophobicContact CZ-CB 4.47Å; F299-F303 HydrophobicContact CZ-CD2 4.34Å; F299-F303 HydrophobicContact CZ-CG 4.47Å; F299-F303 WeakPolarHBondContact O-CB 3.2Å; F299-F303 PolarHBondContact O-N 3.29Å
300L95.7Very high95.4Very high107 Ų10723.9 Ų23.956%0.5613%0.133SC*.Hα-helixtrans-62-40179.7-67.6175000111.7T296 V297 C298 G304T296-L300 HydrophobicContact CG2-CD1 4.37Å; T296-L300 WeakPolarHBondContact O-CG 3.45Å; T296-L300 PolarHBondContact O-N 2.91Å; T296-L300 VanDerWaalsContact O-N 3.1Å; V297-L300 PolarHBondContact O-N 3.34Å; C298-L300 PolarHBondContact O-N 2.81Å; L300-G304 PolarHBondContact O-N 3.34Å
301A95.6Very high95.5Very high10 Ų1024.6 Ų24.68%0.08314%0.137CC..Hα-helixtrans-66-50.8176.900000111.9L46 L200 V297 C298 F299 G304 V305L46-A301 HydrophobicContact CD1-CB 4.27Å; L46-A301 HydrophobicContact CD2-CB 3.94Å; L200-A301 HydrophobicContact CD1-CB 4.07Å; V297-A301 WeakPolarHBondContact O-CB 3.32Å; V297-A301 PolarHBondContact O-N 2.88Å; C298-A301 PolarHBondContact O-N 3.5Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 3.33Å; A301-G304 PolarHBondContact O-N 2.99Å; A301-V305 VanDerWaalsContact O-CB 3.29Å; A301-V305 WeakPolarHBondContact O-CB 3.34Å; A301-V305 WeakPolarHBondContact O-CG2 3.21Å; A301-V305 PolarHBondContact O-N 3.01Å
302Y95.6Very high95.5Very high0 Ų024.9 Ų24.90%014%0.138CC..Hα-helixtrans-60.3-50.3179.4-82.5-62.5000112.8T45 L46 V50 F70 A266 F267 C298 F299 S306T45-Y302 HydrophobicContact CG2-CE2 4.3Å; T45-Y302 PolarHBondContact O-OH 2.96Å; L46-Y302 HydrophobicContact CD2-CD2 4.14Å; L46-Y302 HydrophobicContact CD2-CE2 3.65Å; V50-Y302 VanDerWaalsContact CA-CE1 3.47Å; V50-Y302 HydrophobicContact CB-CD1 3.79Å; V50-Y302 HydrophobicContact CB-CE1 3.3Å; V50-Y302 HydrophobicContact CG1-CE1 4.46Å; V50-Y302 HydrophobicContact CG2-CD1 3.94Å; V50-Y302 HydrophobicContact CG2-CE1 4Å; F70-Y302 AromaticContact CD1-CD1 3.99Å; F70-Y302 HydrophobicContact CD1-CD1 3.99Å; F70-Y302 HydrophobicContact CD1-CG 4.04Å; F70-Y302 AromaticContact CE1-CD1 3.48Å; F70-Y302 HydrophobicContact CE1-CD1 3.48Å; F70-Y302 VanDerWaalsContact CE1-CD1 3.48Å; F70-Y302 HydrophobicContact CE1-CE1 4.01Å; F70-Y302 AromaticContact CE1-CG 3.99Å; F70-Y302 HydrophobicContact CE1-CG 3.99Å; F70-Y302 AromaticContact CZ-CD1 3.81Å; F70-Y302 HydrophobicContact CZ-CD1 3.81Å; F70-Y302 HydrophobicContact CZ-CE1 4.34Å; A266-Y302 HydrophobicContact CB-CD1 4.13Å; A266-Y302 HydrophobicContact CB-CE1 3.43Å; A266-Y302 VanDerWaalsContact CB-CE1 3.43Å; A266-Y302 HydrophobicContact CB-CE2 4.03Å; A266-Y302 VanDerWaalsContact CB-CZ 3.43Å; A266-Y302 WeakPolarHBondContact O-CE2 3.22Å; A266-Y302 PolarHBondContact O-OH 2.7Å; F267-Y302 HydrophobicContact CD1-CD2 4.3Å; F267-Y302 AromaticContact CE1-CD2 3.75Å; F267-Y302 HydrophobicContact CE1-CD2 3.75Å; F267-Y302 HydrophobicContact CE1-CE2 4.42Å; F267-Y302 HydrophobicContact CE2-CD2 4.28Å; F267-Y302 AromaticContact CZ-CD2 3.71Å; F267-Y302 HydrophobicContact CZ-CD2 3.71Å; F267-Y302 HydrophobicContact CZ-CG 4.16Å; C298-Y302 HydrophobicContact CB-CD2 4.16Å; C298-Y302 HydrophobicContact CB-CE2 4.16Å; C298-Y302 WeakPolarHBondContact O-CB 3.3Å; C298-Y302 WeakPolarHBondContact O-CD2 3.18Å; C298-Y302 PolarHBondContact O-N 3.25Å; F299-Y302 PolarHBondContact O-N 3.44Å; Y302-S306 VanDerWaalsContact O-CB 3.27Å; Y302-S306 WeakPolarHBondContact O-CB 3.48Å; Y302-S306 PolarHBondContact O-N 3.02Å; Y302-S306 PolarHBondContact O-OG 2.92Å
303F95Very high95.5Very high77 Ų7722.9 Ų22.934%0.33813%0.125SC..Hα-helixtrans-60.8-47.4178.4-177-85.1000110.9V67 F299 A307V67-F303 HydrophobicContact CG1-CD1 4.47Å; V67-F303 HydrophobicContact CG1-CD2 3.59Å; V67-F303 HydrophobicContact CG1-CE1 4.11Å; V67-F303 HydrophobicContact CG1-CE2 3.17Å; V67-F303 HydrophobicContact CG1-CG 4.23Å; V67-F303 HydrophobicContact CG1-CZ 3.46Å; V67-F303 VanDerWaalsContact CG1-CZ 3.46Å; F299-F303 HydrophobicContact CD2-CB 4.4Å; F299-F303 HydrophobicContact CE2-CB 4.07Å; F299-F303 HydrophobicContact CE2-CD2 4.1Å; F299-F303 HydrophobicContact CE2-CG 4.34Å; F299-F303 HydrophobicContact CZ-CB 4.47Å; F299-F303 HydrophobicContact CZ-CD2 4.34Å; F299-F303 HydrophobicContact CZ-CG 4.47Å; F299-F303 WeakPolarHBondContact O-CB 3.2Å; F299-F303 PolarHBondContact O-N 3.29Å; F303-A307 WeakPolarHBondContact O-CB 3.32Å; F303-A307 PolarHBondContact O-N 3.28Å; F303-A307 VanDerWaalsContact O-N 3.1Å
304G96.4Very high95.4Very high7 Ų720.4 Ų20.47%0.07211%0.11CC..Hα-helixtrans-64.7-47.7-17900000112.9L300 A301 A307 A308L300-G304 PolarHBondContact O-N 3.34Å; A301-G304 PolarHBondContact O-N 2.99Å; G304-A307 PolarHBondContact O-N 3.24Å; G304-A308 VanDerWaalsContact O-CB 3.27Å; G304-A308 WeakPolarHBondContact O-CB 3.21Å; G304-A308 PolarHBondContact O-N 2.65Å
305V96.2Very high95.2Very high0 Ų020.5 Ų20.50%011%0.111CC..Hα-helixtrans-66.3-40.8-178.7173.40000110.8V50 L200 V203 I204 A301 A308 L309 L324V50-V305 HydrophobicContact CG2-CB 3.84Å; V50-V305 HydrophobicContact CG2-CG1 3.79Å; V50-V305 HydrophobicContact CG2-CG2 3.94Å; L200-V305 HydrophobicContact CB-CG2 4.41Å; L200-V305 HydrophobicContact CD2-CG2 3.92Å; V203-V305 HydrophobicContact CG1-CG1 4.29Å; V203-V305 HydrophobicContact CG1-CG2 4.5Å; I204-V305 HydrophobicContact CD1-CG2 4.12Å; I204-V305 HydrophobicContact CG1-CG2 3.78Å; A301-V305 VanDerWaalsContact O-CB 3.29Å; A301-V305 WeakPolarHBondContact O-CB 3.34Å; A301-V305 WeakPolarHBondContact O-CG2 3.21Å; A301-V305 PolarHBondContact O-N 3.01Å; V305-A308 PolarHBondContact O-N 3.29Å; V305-L309 WeakPolarHBondContact O-CB 3.46Å; V305-L309 PolarHBondContact O-N 3.28Å; V305-L324 HydrophobicContact CG1-CD1 4.07Å; V305-L324 HydrophobicContact CG1-CD2 3.77Å
306S95.6Very high95Very high1 Ų122.1 Ų22.11%0.00712%0.117CC..Hα-helixtrans-67.4-38.8-179.9-53.10000112.1F70 Y302 T310F70-S306 WeakPolarHBondContact CD2-OG 3.44Å; F70-S306 WeakPolarHBondContact CE2-OG 3.41Å; Y302-S306 VanDerWaalsContact O-CB 3.27Å; Y302-S306 WeakPolarHBondContact O-CB 3.48Å; Y302-S306 PolarHBondContact O-N 3.02Å; Y302-S306 PolarHBondContact O-OG 2.92Å; S306-T310 WeakPolarHBondContact O-CG2 3.43Å; S306-T310 PolarHBondContact O-N 3.42Å; S306-T310 PolarHBondContact O-OG1 3.04Å
307A95.9Very high94.9Very high5 Ų522.5 Ų22.54%0.04112%0.116CC..Hα-helixtrans-64.8-47.5172.600000111.1V67 F208 F303 G304 T310 L311V67-A307 HydrophobicContact CG2-CB 3.9Å; F208-A307 HydrophobicContact CE1-CB 4.34Å; F208-A307 HydrophobicContact CZ-CB 3.85Å; F303-A307 WeakPolarHBondContact O-CB 3.32Å; F303-A307 PolarHBondContact O-N 3.28Å; F303-A307 VanDerWaalsContact O-N 3.1Å; G304-A307 PolarHBondContact O-N 3.24Å; A307-T310 PolarHBondContact O-OG1 3.47Å; A307-L311 WeakPolarHBondContact O-CB 3.39Å; A307-L311 WeakPolarHBondContact O-CD1 3.47Å; A307-L311 WeakPolarHBondContact O-CG 3.32Å; A307-L311 PolarHBondContact O-N 2.97Å; A307-L311 VanDerWaalsContact O-N 3.1Å
308A96.4Very high94.7Very high0 Ų020.2 Ų20.20%010%0.102CC..Hα-helixtrans-59.5-47.9177.900000112.3G304 V305 L311 M312G304-A308 VanDerWaalsContact O-CB 3.27Å; G304-A308 WeakPolarHBondContact O-CB 3.21Å; G304-A308 PolarHBondContact O-N 2.65Å; V305-A308 PolarHBondContact O-N 3.29Å; A308-L311 PolarHBondContact O-N 3.28Å; A308-M312 VanDerWaalsContact O-CG 3.28Å; A308-M312 WeakPolarHBondContact O-CG 3.44Å; A308-M312 PolarHBondContact O-N 3.08Å
309L95.6Very high94.4Very high1 Ų122.4 Ų22.41%0.00511%0.113CC..Hα-helixtrans-61.5-50.1-178.5178.257.4000112.2V305 L311 M312 M313 L318 P323 L324 A327V305-L309 WeakPolarHBondContact O-CB 3.46Å; V305-L309 PolarHBondContact O-N 3.28Å; L309-L311 PolarHBondContact O-N 3Å; L309-M312 PolarHBondContact O-N 3.31Å; L309-M313 PolarHBondContact O-N 3.44Å; L309-M313 VanDerWaalsContact O-N 3.09Å; L309-L318 HydrophobicContact CD1-CD2 3.53Å; L309-L318 HydrophobicContact CD2-CD1 4.46Å; L309-L318 HydrophobicContact CD2-CD2 4.19Å; L309-L318 HydrophobicContact CG-CD1 4.44Å; L309-L318 HydrophobicContact CG-CD2 3.78Å; L309-P323 HydrophobicContact CD2-CB 4.05Å; L309-L324 HydrophobicContact CB-CD2 4.27Å; L309-L324 HydrophobicContact CD1-CD2 4Å; L309-L324 HydrophobicContact CD2-CD2 4.13Å; L309-L324 HydrophobicContact CG-CD2 4.35Å; L309-A327 HydrophobicContact CD1-CB 3.6Å
310T95.3Very high93.8Very high1 Ų124.6 Ų24.61%0.00613%0.125CC..Hα-helixtrans-71.8-18.4-17957.20000113.4A58 I66 N215 W216 S306 A307A58-T310 HydrophobicContact CB-CG2 4.13Å; I66-T310 HydrophobicContact CG2-CG2 3.82Å; N215-T310 WeakPolarHBondContact CB-O 2.9Å; W216-T310 PolarHBondContact NE1-OG1 2.92Å; W216-T310 VanDerWaalsContact NE1-OG1 3.15Å; S306-T310 WeakPolarHBondContact O-CG2 3.43Å; S306-T310 PolarHBondContact O-N 3.42Å; S306-T310 PolarHBondContact O-OG1 3.04Å; A307-T310 PolarHBondContact O-OG1 3.47Å
311L95.6Very high93.2Very high14 Ų1422.3 Ų22.37%0.07311%0.11CC..Hα-helixtrans-81.8-36.1169.2-73.1169.7000112F208 G211 D212 N215 W216 A307 A308 L309F208-L311 HydrophobicContact CD1-CD1 3.91Å; F208-L311 HydrophobicContact CE1-CD1 3.78Å; G211-L311 CarbonylContact C-O 3.35Å; G211-L311 WeakPolarHBondContact CA-O 3.43Å; D212-L311 PolarHBondContact N-O 2.68Å; N215-L311 PolarHBondContact ND2-O 3.22Å; W216-L311 HydrophobicContact CD2-CD2 3.94Å; W216-L311 HydrophobicContact CG-CD2 4.2Å; W216-L311 HydrophobicContact CZ2-CD1 4.28Å; W216-L311 HydrophobicContact CZ2-CD2 4.07Å; W216-L311 HydrophobicContact CZ2-CG 3.9Å; A307-L311 WeakPolarHBondContact O-CB 3.39Å; A307-L311 WeakPolarHBondContact O-CD1 3.47Å; A307-L311 WeakPolarHBondContact O-CG 3.32Å; A307-L311 PolarHBondContact O-N 2.97Å; A307-L311 VanDerWaalsContact O-N 3.1Å; A308-L311 PolarHBondContact O-N 3.28Å; L309-L311 PolarHBondContact O-N 3Å
312M94.3Very high92.9Very high6 Ų622 Ų223%0.0311%0.108CC..Hα-helixtrans-70.4-40.6179.7-7617574.600113.1G207 A308 L309 A327 F328 V331G207-M312 WeakPolarHBondContact CA-SD 3.36Å; A308-M312 VanDerWaalsContact O-CG 3.28Å; A308-M312 WeakPolarHBondContact O-CG 3.44Å; A308-M312 PolarHBondContact O-N 3.08Å; L309-M312 PolarHBondContact O-N 3.31Å; M312-A327 HydrophobicContact CE-CB 4.29Å; M312-F328 HydrophobicContact CE-CD1 3.84Å; M312-F328 HydrophobicContact CE-CD2 4.26Å; M312-F328 HydrophobicContact CE-CE1 3.76Å; M312-F328 HydrophobicContact CE-CE2 4.15Å; M312-F328 HydrophobicContact CE-CG 4.09Å; M312-F328 HydrophobicContact CE-CZ 3.9Å; M312-F328 HydrophobicContact SD-CZ 4.29Å; M312-V331 HydrophobicContact CB-CG1 4.07Å; M312-V331 HydrophobicContact CE-CB 4.45Å; M312-V331 HydrophobicContact CE-CG1 3.93Å; M312-V331 HydrophobicContact CE-CG2 3.65Å; M312-V331 HydrophobicContact CG-CG1 4.4Å
313M94.2Very high92.7Very high15 Ų1522 Ų227%0.07411%0.108CC..SBendtrans-135.7136.6-170.5-169.4173.6-171.400110.5L309 Y315 L317 L318 A327 Y330L309-M313 PolarHBondContact O-N 3.44Å; L309-M313 VanDerWaalsContact O-N 3.09Å; M313-Y315 PolarHBondContact O-N 3.47Å; M313-L317 HydrophobicContact CE-CB 3.59Å; M313-L317 WeakPolarHBondContact CE-O 3.45Å; M313-L317 HydrophobicContact CG-CB 4.41Å; M313-L318 HydrophobicContact CB-CD2 4.09Å; M313-L318 HydrophobicContact CG-CD2 4.24Å; M313-L318 HydrophobicContact SD-CD2 3.98Å; M313-A327 HydrophobicContact CB-CB 4.32Å; M313-A327 HydrophobicContact SD-CB 4.27Å; M313-Y330 HydrophobicContact CB-CD1 4.24Å; M313-Y330 HydrophobicContact CE-CD2 4.16Å; M313-Y330 HydrophobicContact CE-CG 4.23Å; M313-Y330 HydrophobicContact CG-CD1 4.02Å; M313-Y330 HydrophobicContact CG-CE1 4.41Å; M313-Y330 HydrophobicContact CG-CG 4.12Å; M313-Y330 HydrophobicContact SD-CG 4.37Å
314P93.9Very high92.6Very high4 Ų418.5 Ų18.53%0.0269%0.092CC..  trans-55.4133.2173.2-21.629.7000111.5N215 I218 Y316 L317N215-P314 WeakPolarHBondContact OD1-CG 3.45Å; I218-P314 HydrophobicContact CD1-CB 4.09Å; P314-Y316 HydrophobicContact CB-CD1 3.92Å; P314-Y316 HydrophobicContact CB-CE1 3.43Å; P314-Y316 VanDerWaalsContact CB-CE1 3.43Å; P314-Y316 HydrophobicContact CB-CE2 4.4Å; P314-Y316 HydrophobicContact CG-CE1 4.44Å; P314-Y316 PolarHBondContact O-N 2.85Å; P314-Y316 VanDerWaalsContact O-N 3.12Å; P314-L317 HydrophobicContact CB-CD1 4.41Å; P314-L317 HydrophobicContact CG-CD1 4.15Å; P314-L317 PolarHBondContact O-N 2.93Å
315Y92.7Very high92.4Very high1 Ų118.5 Ų18.50%0.0049%0.091CC..G310 helixtrans-57.8-32.3-171.968.3-85.1000114K59 P64 I218 L223 Y243 P250 Y251 M313 L317 L318K59-Y315 WeakPolarHBondContact CA-O 3.46Å; K59-Y315 WeakPolarHBondContact CB-O 3.35Å; P64-Y315 HydrophobicContact CG-CD1 4.18Å; I218-Y315 HydrophobicContact CD1-CD1 4Å; I218-Y315 HydrophobicContact CD1-CE1 3.85Å; L223-Y315 WeakPolarHBondContact CD1-OH 3.41Å; Y243-Y315 PolarHBondContact O-OH 3.27Å; P250-Y315 HydrophobicContact CB-CE2 4.23Å; P250-Y315 WeakPolarHBondContact CB-OH 3.49Å; P250-Y315 HydrophobicContact CG-CE1 4.32Å; P250-Y315 HydrophobicContact CG-CE2 3.91Å; Y251-Y315 HydrophobicContact CE2-CE2 4.44Å; M313-Y315 PolarHBondContact O-N 3.47Å; Y315-L317 VanDerWaalsContact C-N 3.28Å; Y315-L317 PolarHBondContact O-N 3.41Å; Y315-L318 PolarHBondContact O-N 3.4Å
316Y90.3Very high92.2Very high40 Ų4020.8 Ų20.816%0.15710%0.102CC..G310 helixtrans-72.4-18.3179.860.3-94000113.8I218 L223 V226 P314I218-Y316 HydrophobicContact CD1-CD1 4.35Å; I218-Y316 HydrophobicContact CD1-CE1 3.9Å; I218-Y316 HydrophobicContact CG2-CE1 4.38Å; L223-Y316 HydrophobicContact CD2-CD1 3.45Å; L223-Y316 VanDerWaalsContact CD2-CD1 3.45Å; L223-Y316 HydrophobicContact CD2-CE1 3.69Å; L223-Y316 HydrophobicContact CD2-CG 4.09Å; V226-Y316 HydrophobicContact CG1-CD2 4.37Å; V226-Y316 HydrophobicContact CG1-CE2 4.24Å; V226-Y316 HydrophobicContact CG2-CE2 4.31Å; P314-Y316 HydrophobicContact CB-CD1 3.92Å; P314-Y316 HydrophobicContact CB-CE1 3.43Å; P314-Y316 VanDerWaalsContact CB-CE1 3.43Å; P314-Y316 HydrophobicContact CB-CE2 4.4Å; P314-Y316 HydrophobicContact CG-CE1 4.44Å; P314-Y316 PolarHBondContact O-N 2.85Å; P314-Y316 VanDerWaalsContact O-N 3.12Å
317L91.4Very high92.1Very high78 Ų7820.8 Ų20.841%0.40810%0.102SC..G310 helixtrans-95-5.1177.2-62.8176.7000113.3M313 P314 Y315 D319 Y330M313-L317 HydrophobicContact CE-CB 3.59Å; M313-L317 WeakPolarHBondContact CE-O 3.45Å; M313-L317 HydrophobicContact CG-CB 4.41Å; P314-L317 HydrophobicContact CB-CD1 4.41Å; P314-L317 HydrophobicContact CG-CD1 4.15Å; P314-L317 PolarHBondContact O-N 2.93Å; Y315-L317 VanDerWaalsContact C-N 3.28Å; Y315-L317 PolarHBondContact O-N 3.41Å; L317-D319 PolarHBondContact O-N 3.19Å; L317-Y330 HydrophobicContact CD1-CE2 4.19Å
318L92.3Very high92Very high1 Ų120.6 Ų20.61%0.00510%0.101CC..  trans-59.2135.2-178-70.3171000110.7A58 K59 L309 M313 Y315 P323A58-L318 HydrophobicContact CB-CD1 3.62Å; K59-L318 HydrophobicContact CB-CB 4.47Å; K59-L318 VanDerWaalsContact CD-O 3.25Å; K59-L318 WeakPolarHBondContact CD-O 3.23Å; K59-L318 PolarHBondContact NZ-O 3.12Å; L309-L318 HydrophobicContact CD1-CD2 3.53Å; L309-L318 HydrophobicContact CD2-CD1 4.46Å; L309-L318 HydrophobicContact CD2-CD2 4.19Å; L309-L318 HydrophobicContact CG-CD1 4.44Å; L309-L318 HydrophobicContact CG-CD2 3.78Å; M313-L318 HydrophobicContact CB-CD2 4.09Å; M313-L318 HydrophobicContact CG-CD2 4.24Å; M313-L318 HydrophobicContact SD-CD2 3.98Å; Y315-L318 PolarHBondContact O-N 3.4Å; L318-P323 HydrophobicContact CD2-CB 4.44Å
319D88.5Confident91.7Very high46 Ų4625 Ų2525%0.24612%0.121CC..  trans-73.6142.5173-176.158.6000110.5L317 K321 S322 P323 M326L317-D319 PolarHBondContact O-N 3.19Å; D319-K321 PolarHBondContact OD2-N 2.86Å; D319-S322 PolarHBondContact OD2-N 3.01Å; D319-S322 PolarHBondContact OD2-OG 3.28Å; D319-P323 WeakPolarHBondContact O-CB 3.23Å; D319-P323 WeakPolarHBondContact O-CD 3.49Å; D319-M326 HydrophobicContact CB-CB 4.19Å; D319-M326 HydrophobicContact CB-CG 3.91Å
320E82.8Confident91.6Very high103 Ų10330.8 Ų30.848%0.48114%0.144SC..SBendtrans-81.4-22.1-175.7-75164.8-146.400112.8V52 K59V52-E320 VanDerWaalsContact CG1-O 3.26Å; V52-E320 WeakPolarHBondContact CG1-O 3.47Å; K59-E320 HydrophobicContact CD-CG 4.3Å; K59-E320 IonicContact NZ-OE1 3.76Å; K59-E320 PolarHBondContact NZ-OE1 2.96Å
321K83.6Confident91.5Very high58 Ų5832.3 Ų32.325%0.25215%0.153SC..SBendtrans-102.7-35.1-176.5-63.6179.5-175.3170.80113.1V52 E145 D319V52-K321 WeakPolarHBondContact CG2-O 3.47Å; E145-K321 IonicContact OE1-NZ 3.1Å; E145-K321 PolarHBondContact OE1-NZ 2.86Å; E145-K321 IonicContact OE2-NZ 2.81Å; E145-K321 PolarHBondContact OE2-NZ 2.91Å; D319-K321 PolarHBondContact OD2-N 2.86Å
322S88.6Confident91.2Very high5 Ų534.6 Ų34.64%0.03518%0.18CC..  trans-142.552.3-170.768.10000113.2E138 D319 L324 P325 M326E138-S322 WeakPolarHBondContact CG-OG 3.18Å; D319-S322 PolarHBondContact OD2-N 3.01Å; D319-S322 PolarHBondContact OD2-OG 3.28Å; S322-L324 VanDerWaalsContact C-N 3.28Å; S322-L324 PolarHBondContact O-N 3.03Å; S322-L324 VanDerWaalsContact O-N 3.16Å; S322-P325 WeakPolarHBondContact O-CD 3.44Å; S322-M326 WeakPolarHBondContact O-CG 3.42Å; S322-M326 PolarHBondContact O-N 3.47Å; S322-M326 WeakPolarHBondContact OG-CG 3.33Å
323P92.3Very high91.1Very high0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-57-38.3-172.822.9-35.2000113.6Y51 L309 L318 D319 A327Y51-P323 VanDerWaalsContact O-CD 3.25Å; Y51-P323 WeakPolarHBondContact O-CD 3.44Å; Y51-P323 VanDerWaalsContact O-CG 3.22Å; Y51-P323 WeakPolarHBondContact O-CG 3.11Å; L309-P323 HydrophobicContact CD2-CB 4.05Å; L318-P323 HydrophobicContact CD2-CB 4.44Å; D319-P323 WeakPolarHBondContact O-CB 3.23Å; D319-P323 WeakPolarHBondContact O-CD 3.49Å; P323-A327 VanDerWaalsContact O-CB 3.32Å; P323-A327 WeakPolarHBondContact O-CB 3.38Å; P323-A327 PolarHBondContact O-N 2.78Å
324L93.1Very high90.8Very high2 Ų239.6 Ų39.61%0.0121%0.208CC..Hα-helixtrans-69.7-55.4-176.5-66.1180000112.9Y51 V203 V305 L309 S322 M326 A327 F328 V340Y51-L324 HydrophobicContact CD1-CD1 3.58Å; Y51-L324 HydrophobicContact CE1-CD1 3.95Å; Y51-L324 HydrophobicContact CG-CD1 4.35Å; V203-L324 HydrophobicContact CG1-CD2 3.98Å; V305-L324 HydrophobicContact CG1-CD1 4.07Å; V305-L324 HydrophobicContact CG1-CD2 3.77Å; L309-L324 HydrophobicContact CB-CD2 4.27Å; L309-L324 HydrophobicContact CD1-CD2 4Å; L309-L324 HydrophobicContact CD2-CD2 4.13Å; L309-L324 HydrophobicContact CG-CD2 4.35Å; S322-L324 VanDerWaalsContact C-N 3.28Å; S322-L324 PolarHBondContact O-N 3.03Å; S322-L324 VanDerWaalsContact O-N 3.16Å; L324-M326 VanDerWaalsContact C-N 3.27Å; L324-M326 PolarHBondContact O-N 2.76Å; L324-A327 PolarHBondContact O-N 2.97Å; L324-F328 WeakPolarHBondContact O-CD2 3.36Å; L324-F328 PolarHBondContact O-N 2.92Å; L324-V340 HydrophobicContact CB-CG1 3.82Å
325P92.2Very high90.6Very high7 Ų744.6 Ų44.65%0.04524%0.24CC..Hα-helixtrans-53.2-42.8173.7-2834.3000113.6S322 F328 E329 K337 V340 A341S322-P325 WeakPolarHBondContact O-CD 3.44Å; P325-F328 PolarHBondContact O-N 3.34Å; P325-E329 PolarHBondContact O-N 3.4Å; P325-K337 HydrophobicContact CB-CG 3.93Å; P325-V340 HydrophobicContact CG-CG1 4.44Å; P325-A341 HydrophobicContact CB-CB 4.38Å; P325-A341 HydrophobicContact CG-CB 3.99Å
326M90.8Very high90.6Very high49 Ų4945 Ų4524%0.24124%0.244CC..Hα-helixtrans-68.6-34.6-178.4-64.8-50.8-6400112.8D319 S322 L324 F328 E329 Y330D319-M326 HydrophobicContact CB-CB 4.19Å; D319-M326 HydrophobicContact CB-CG 3.91Å; S322-M326 WeakPolarHBondContact O-CG 3.42Å; S322-M326 PolarHBondContact O-N 3.47Å; S322-M326 WeakPolarHBondContact OG-CG 3.33Å; L324-M326 VanDerWaalsContact C-N 3.27Å; L324-M326 PolarHBondContact O-N 2.76Å; M326-F328 VanDerWaalsContact C-N 3.31Å; M326-F328 PolarHBondContact O-N 2.82Å; M326-E329 WeakPolarHBondContact CE-OE2 3.09Å; M326-E329 PolarHBondContact O-N 3.25Å; M326-Y330 WeakPolarHBondContact O-CB 3.18Å; M326-Y330 PolarHBondContact O-N 2.61Å
327A93.5Very high90.6Very high1 Ų145.3 Ų45.31%0.00825%0.246CC..Hα-helixtrans-62.2-36.9173.100000112.4L309 M312 M313 P323 L324 Y330 V331L309-A327 HydrophobicContact CD1-CB 3.6Å; M312-A327 HydrophobicContact CE-CB 4.29Å; M313-A327 HydrophobicContact CB-CB 4.32Å; M313-A327 HydrophobicContact SD-CB 4.27Å; P323-A327 VanDerWaalsContact O-CB 3.32Å; P323-A327 WeakPolarHBondContact O-CB 3.38Å; P323-A327 PolarHBondContact O-N 2.78Å; L324-A327 PolarHBondContact O-N 2.97Å; A327-Y330 PolarHBondContact O-N 3.43Å; A327-V331 PolarHBondContact O-N 3.02Å; A327-V331 VanDerWaalsContact O-N 3.12Å
328F94Very high90.5Very high1 Ų148.7 Ų48.70%0.00425%0.254CS..Hα-helixtrans-69.4-34.8175.6-80.9-78000113.2F202 V203 S206 M312 L324 P325 M326 V331 G332 W333 A336 V340F202-F328 HydrophobicContact CE1-CE1 4.24Å; F202-F328 HydrophobicContact CE1-CZ 4.2Å; V203-F328 HydrophobicContact CG1-CE2 4.33Å; V203-F328 HydrophobicContact CG2-CE2 4.01Å; V203-F328 HydrophobicContact CG2-CZ 4.36Å; S206-F328 VanDerWaalsContact OG-CE1 3.31Å; S206-F328 WeakPolarHBondContact OG-CE1 3.37Å; S206-F328 WeakPolarHBondContact OG-CZ 3.32Å; M312-F328 HydrophobicContact CE-CD1 3.84Å; M312-F328 HydrophobicContact CE-CD2 4.26Å; M312-F328 HydrophobicContact CE-CE1 3.76Å; M312-F328 HydrophobicContact CE-CE2 4.15Å; M312-F328 HydrophobicContact CE-CG 4.09Å; M312-F328 HydrophobicContact CE-CZ 3.9Å; M312-F328 HydrophobicContact SD-CZ 4.29Å; L324-F328 WeakPolarHBondContact O-CD2 3.36Å; L324-F328 PolarHBondContact O-N 2.92Å; P325-F328 PolarHBondContact O-N 3.34Å; M326-F328 VanDerWaalsContact C-N 3.31Å; M326-F328 PolarHBondContact O-N 2.82Å; F328-V331 WeakPolarHBondContact O-CG2 3.41Å; F328-G332 PolarHBondContact O-N 2.81Å; F328-W333 HydrophobicContact CD1-CB 4.08Å; F328-W333 HydrophobicContact CD1-CE3 4.26Å; F328-W333 HydrophobicContact CE1-CE3 4.17Å; F328-W333 CarbonylContact O-C 3.55Å; F328-W333 WeakPolarHBondContact O-CA 3.38Å; F328-W333 PolarHBondContact O-N 2.99Å; F328-A336 HydrophobicContact CB-CB 4.29Å; F328-A336 HydrophobicContact CD1-CB 3.52Å; F328-A336 HydrophobicContact CE1-CB 4.1Å; F328-A336 HydrophobicContact CG-CB 3.96Å; F328-V340 HydrophobicContact CD2-CB 4.38Å; F328-V340 HydrophobicContact CD2-CG2 3.85Å; F328-V340 HydrophobicContact CE2-CG2 3.69Å; F328-V340 HydrophobicContact CZ-CG2 4.34Å
329E91.4Very high90.5Very high92 Ų9252.6 Ų52.643%0.4328%0.278SS..Hα-helixtrans-65.6-43.9172.6-171.3161.9-143.900111.3P325 M326 V331 G332 K337P325-E329 PolarHBondContact O-N 3.4Å; M326-E329 WeakPolarHBondContact CE-OE2 3.09Å; M326-E329 PolarHBondContact O-N 3.25Å; E329-V331 PolarHBondContact O-N 3.42Å; E329-G332 PolarHBondContact O-N 3.09Å; E329-K337 HydrophobicContact CB-CD 4.27Å; E329-K337 VanDerWaalsContact CD-NZ 3.3Å; E329-K337 IonicContact OE1-NZ 3.56Å; E329-K337 PolarHBondContact OE1-NZ 2.87Å; E329-K337 IonicContact OE2-NZ 2.67Å; E329-K337 PolarHBondContact OE2-NZ 3.47Å
330Y92.1Very high90.7Very high123 Ų12350.4 Ų50.448%0.48227%0.266SS..Hα-helixtrans-58.7-43.6177.8179.9-97.3000112.8M313 L317 M326 A327 G332M313-Y330 HydrophobicContact CB-CD1 4.24Å; M313-Y330 HydrophobicContact CE-CD2 4.16Å; M313-Y330 HydrophobicContact CE-CG 4.23Å; M313-Y330 HydrophobicContact CG-CD1 4.02Å; M313-Y330 HydrophobicContact CG-CE1 4.41Å; M313-Y330 HydrophobicContact CG-CG 4.12Å; M313-Y330 HydrophobicContact SD-CG 4.37Å; L317-Y330 HydrophobicContact CD1-CE2 4.19Å; M326-Y330 WeakPolarHBondContact O-CB 3.18Å; M326-Y330 PolarHBondContact O-N 2.61Å; A327-Y330 PolarHBondContact O-N 3.43Å; Y330-G332 PolarHBondContact O-N 2.78Å
331V93.2Very high91.1Very high33 Ų3345.6 Ų45.620%0.224%0.244CC..THydrogen-bonded Turntrans-78.34.5177.6-56.60000113.9M312 A327 F328 E329 W333M312-V331 HydrophobicContact CB-CG1 4.07Å; M312-V331 HydrophobicContact CE-CB 4.45Å; M312-V331 HydrophobicContact CE-CG1 3.93Å; M312-V331 HydrophobicContact CE-CG2 3.65Å; M312-V331 HydrophobicContact CG-CG1 4.4Å; A327-V331 PolarHBondContact O-N 3.02Å; A327-V331 VanDerWaalsContact O-N 3.12Å; F328-V331 WeakPolarHBondContact O-CG2 3.41Å; E329-V331 PolarHBondContact O-N 3.42Å; V331-W333 HydrophobicContact CG2-CB 4.15Å; V331-W333 HydrophobicContact CG2-CG 4.45Å
332G91.1Very high91.4Very high62 Ų6247.2 Ų47.264%0.63926%0.259SS*.THydrogen-bonded Turntrans78.419177.900000115F328 E329 Y330F328-G332 PolarHBondContact O-N 2.81Å; E329-G332 PolarHBondContact O-N 3.09Å; Y330-G332 PolarHBondContact O-N 2.78Å
333W91.4Very high91.5Very high93 Ų9347.1 Ų47.135%0.35226%0.258SS..  trans-101.163177.8-86.423.2000111.7K210 F328 V331 A336 K337K210-W333 VanDerWaalsContact CE-CZ2 3.49Å; K210-W333 HydrophobicContact CG-CZ2 4.4Å; F328-W333 HydrophobicContact CD1-CB 4.08Å; F328-W333 HydrophobicContact CD1-CE3 4.26Å; F328-W333 HydrophobicContact CE1-CE3 4.17Å; F328-W333 CarbonylContact O-C 3.55Å; F328-W333 WeakPolarHBondContact O-CA 3.38Å; F328-W333 PolarHBondContact O-N 2.99Å; V331-W333 HydrophobicContact CG2-CB 4.15Å; V331-W333 HydrophobicContact CG2-CG 4.45Å; W333-A336 HydrophobicContact CB-CB 4.1Å; W333-A336 HydrophobicContact CE3-CB 4.26Å; W333-A336 WeakPolarHBondContact O-CB 3.25Å; W333-A336 PolarHBondContact O-N 3.14Å; W333-K337 PolarHBondContact O-N 2.96Å
334G87.4Confident91.5Very high33 Ų3347.2 Ų47.234%0.3426%0.259SS..Hα-helixtrans-49.8-47.8-176.800000115.6A336 K337G334-A336 VanDerWaalsContact C-N 3.28Å; G334-A336 PolarHBondContact O-N 3.43Å; G334-K337 VanDerWaalsContact O-CB 3.23Å; G334-K337 WeakPolarHBondContact O-CB 2.98Å; G334-K337 PolarHBondContact O-N 2.87Å
335P90.7Very high91.5Very high108 Ų10848.2 Ų48.270%0.70126%0.264SS*.Hα-helixtrans-62.9-31.7178.3-25.235.3000114K337 Y338P335-K337 VanDerWaalsContact C-N 3.31Å; P335-K337 PolarHBondContact O-N 3.42Å; P335-Y338 PolarHBondContact O-N 3.46Å
336A91.5Very high91.4Very high9 Ų948.7 Ų48.77%0.07427%0.267CS..Hα-helixtrans-68.8-30.8179.800000112.1F202 F328 W333 G334 Y338 V339 V340F202-A336 HydrophobicContact CE1-CB 4.08Å; F202-A336 HydrophobicContact CZ-CB 3.91Å; F328-A336 HydrophobicContact CB-CB 4.29Å; F328-A336 HydrophobicContact CD1-CB 3.52Å; F328-A336 HydrophobicContact CE1-CB 4.1Å; F328-A336 HydrophobicContact CG-CB 3.96Å; W333-A336 HydrophobicContact CB-CB 4.1Å; W333-A336 HydrophobicContact CE3-CB 4.26Å; W333-A336 WeakPolarHBondContact O-CB 3.25Å; W333-A336 PolarHBondContact O-N 3.14Å; G334-A336 VanDerWaalsContact C-N 3.28Å; G334-A336 PolarHBondContact O-N 3.43Å; A336-Y338 VanDerWaalsContact C-N 3.29Å; A336-Y338 PolarHBondContact O-N 2.9Å; A336-V339 PolarHBondContact O-N 3.04Å; A336-V340 WeakPolarHBondContact O-CG2 3.5Å; A336-V340 PolarHBondContact O-N 3.13Å
337K90.3Very high91.5Very high47 Ų4746.3 Ų46.320%0.20426%0.256CS..Hα-helixtrans-48.5-51172.6178.6-175.91781660111.2P325 E329 W333 G334 P335 V340 A341P325-K337 HydrophobicContact CB-CG 3.93Å; E329-K337 HydrophobicContact CB-CD 4.27Å; E329-K337 VanDerWaalsContact CD-NZ 3.3Å; E329-K337 IonicContact OE1-NZ 3.56Å; E329-K337 PolarHBondContact OE1-NZ 2.87Å; E329-K337 IonicContact OE2-NZ 2.67Å; E329-K337 PolarHBondContact OE2-NZ 3.47Å; W333-K337 PolarHBondContact O-N 2.96Å; G334-K337 VanDerWaalsContact O-CB 3.23Å; G334-K337 WeakPolarHBondContact O-CB 2.98Å; G334-K337 PolarHBondContact O-N 2.87Å; P335-K337 VanDerWaalsContact C-N 3.31Å; P335-K337 PolarHBondContact O-N 3.42Å; K337-V340 PolarHBondContact O-N 3.34Å; K337-A341 VanDerWaalsContact O-CB 3.24Å; K337-A341 WeakPolarHBondContact O-CB 3.21Å; K337-A341 PolarHBondContact O-N 3.46Å
338Y89.9Confident91.5Very high150 Ų15046.3 Ų46.359%0.58826%0.255SS*.Hα-helixtrans-69.1-39.2-176.7-64.2-75.2000112.9P335 A336 V340 A341 V342P335-Y338 PolarHBondContact O-N 3.46Å; A336-Y338 VanDerWaalsContact C-N 3.29Å; A336-Y338 PolarHBondContact O-N 2.9Å; Y338-V340 VanDerWaalsContact C-N 3.35Å; Y338-A341 PolarHBondContact O-N 2.9Å; Y338-V342 WeakPolarHBondContact O-CG2 3.48Å; Y338-V342 PolarHBondContact O-N 3.28Å
339V91.4Very high91.4Very high82 Ų8247.4 Ų47.450%0.49726%0.264SS..Hα-helixtrans-61.3-46.8176.4176.40000110.4A336 G343A336-V339 PolarHBondContact O-N 3.04Å; V339-G343 PolarHBondContact O-N 3.39Å
340V92.8Very high91.4Very high0 Ų043 Ų430%024%0.243CC..Hα-helixtrans-68.6-38.1179.41760000111.1F202 V203 L324 P325 F328 A336 K337 Y338 G343 S344F202-V340 HydrophobicContact CD1-CG2 4.08Å; F202-V340 HydrophobicContact CE1-CG2 3.92Å; V203-V340 HydrophobicContact CG2-CG1 4.03Å; V203-V340 HydrophobicContact CG2-CG2 3.75Å; L324-V340 HydrophobicContact CB-CG1 3.82Å; P325-V340 HydrophobicContact CG-CG1 4.44Å; F328-V340 HydrophobicContact CD2-CB 4.38Å; F328-V340 HydrophobicContact CD2-CG2 3.85Å; F328-V340 HydrophobicContact CE2-CG2 3.69Å; F328-V340 HydrophobicContact CZ-CG2 4.34Å; A336-V340 WeakPolarHBondContact O-CG2 3.5Å; A336-V340 PolarHBondContact O-N 3.13Å; K337-V340 PolarHBondContact O-N 3.34Å; Y338-V340 VanDerWaalsContact C-N 3.35Å; V340-G343 CarbonylContact O-C 3.49Å; V340-G343 PolarHBondContact O-N 2.92Å; V340-S344 WeakPolarHBondContact O-CB 3.46Å; V340-S344 PolarHBondContact O-N 2.88Å; V340-S344 PolarHBondContact O-OG 3.27Å
341A91.1Very high91.4Very high3 Ų337.4 Ų37.43%0.02522%0.221CC..Hα-helixtrans-64.7-46.8177.600000112.3M139 P325 K337 Y338 G343 S344 L345M139-A341 HydrophobicContact CE-CB 3.78Å; M139-A341 HydrophobicContact CG-CB 4.11Å; M139-A341 HydrophobicContact SD-CB 3.62Å; P325-A341 HydrophobicContact CB-CB 4.38Å; P325-A341 HydrophobicContact CG-CB 3.99Å; K337-A341 VanDerWaalsContact O-CB 3.24Å; K337-A341 WeakPolarHBondContact O-CB 3.21Å; K337-A341 PolarHBondContact O-N 3.46Å; Y338-A341 PolarHBondContact O-N 2.9Å; A341-G343 VanDerWaalsContact C-N 3.3Å; A341-G343 PolarHBondContact O-N 3.2Å; A341-S344 WeakPolarHBondContact O-CB 3.3Å; A341-S344 PolarHBondContact O-N 3.44Å; A341-S344 VanDerWaalsContact O-N 3.14Å; A341-L345 PolarHBondContact O-N 3.01Å
342V90Very high91.4Very high92 Ų9235.8 Ų35.856%0.55821%0.212SC*.Hα-helixtrans-61.9-40.7173.9172.80000111Y338 S344 L345 C346Y338-V342 WeakPolarHBondContact O-CG2 3.48Å; Y338-V342 PolarHBondContact O-N 3.28Å; V342-S344 VanDerWaalsContact C-N 3.32Å; V342-S344 PolarHBondContact O-N 2.64Å; V342-L345 PolarHBondContact O-N 3.07Å; V342-C346 WeakPolarHBondContact O-CB 3.38Å; V342-C346 PolarHBondContact O-N 3.33Å
343G92.1Very high91.3Very high2 Ų233.2 Ų33.22%0.02118%0.183CC..Hα-helixtrans-59.9-40.8173.300000113.3V339 V340 A341 C346 A347V339-G343 PolarHBondContact O-N 3.39Å; V340-G343 CarbonylContact O-C 3.49Å; V340-G343 PolarHBondContact O-N 2.92Å; A341-G343 VanDerWaalsContact C-N 3.3Å; A341-G343 PolarHBondContact O-N 3.2Å; G343-C346 WeakPolarHBondContact O-CB 3.36Å; G343-C346 PolarHBondContact O-N 3.28Å; G343-A347 WeakPolarHBondContact O-CB 3.36Å; G343-A347 PolarHBondContact O-N 3.28Å
344S92.2Very high91.2Very high2 Ų228.8 Ų28.81%0.01417%0.167CC..Hα-helixtrans-62.2-47176.5-52.20000110.8Y51 V340 A341 V342 C346 A347 L348Y51-S344 WeakPolarHBondContact CD1-OG 3.4Å; Y51-S344 VanDerWaalsContact CE1-OG 3.27Å; Y51-S344 WeakPolarHBondContact CE1-OG 3.49Å; V340-S344 WeakPolarHBondContact O-CB 3.46Å; V340-S344 PolarHBondContact O-N 2.88Å; V340-S344 PolarHBondContact O-OG 3.27Å; A341-S344 WeakPolarHBondContact O-CB 3.3Å; A341-S344 PolarHBondContact O-N 3.44Å; A341-S344 VanDerWaalsContact O-N 3.14Å; V342-S344 VanDerWaalsContact C-N 3.32Å; V342-S344 PolarHBondContact O-N 2.64Å; S344-C346 VanDerWaalsContact C-N 3.34Å; S344-C346 PolarHBondContact O-N 3.23Å; S344-A347 WeakPolarHBondContact O-CB 3.4Å; S344-A347 PolarHBondContact O-N 3.19Å; S344-L348 WeakPolarHBondContact O-CB 3.27Å; S344-L348 WeakPolarHBondContact O-CG 3.38Å; S344-L348 PolarHBondContact O-N 3.48Å
345L92Very high91.3Very high24 Ų2427.9 Ų27.913%0.12616%0.155CC..Hα-helixtrans-62.9-39.7176.5-65.7178.7000112.2W132 T135 F136 M139 A341 V342 S349W132-L345 HydrophobicContact CD2-CD2 4.03Å; W132-L345 HydrophobicContact CE3-CD2 4.31Å; W132-L345 HydrophobicContact CG-CD2 4.42Å; W132-L345 HydrophobicContact CZ2-CD2 4.33Å; W132-L345 PolarHBondContact NE1-O 3.36Å; T135-L345 HydrophobicContact CG2-CD2 3.97Å; T135-L345 HydrophobicContact CG2-CG 4.47Å; F136-L345 HydrophobicContact CB-CD2 4.16Å; F136-L345 HydrophobicContact CD2-CD1 4.2Å; M139-L345 HydrophobicContact SD-CD1 3.69Å; M139-L345 HydrophobicContact SD-CG 4.26Å; A341-L345 PolarHBondContact O-N 3.01Å; V342-L345 PolarHBondContact O-N 3.07Å; L345-S349 WeakPolarHBondContact O-CB 3.29Å; L345-S349 PolarHBondContact O-N 3.32Å; L345-S349 PolarHBondContact O-OG 2.82Å
346C91.2Very high91.3Very high16 Ų1622.7 Ų22.711%0.10812%0.122CC..Hα-helixtrans-63.1-44.7174.9-174.50000111.6F192 I195 V342 G343 S344 S349 T350F192-C346 VanDerWaalsContact CB-SG 3.53Å; F192-C346 WeakPolarHBondContact CD1-SG 3.41Å; I195-C346 HydrophobicContact CG2-CB 4.31Å; V342-C346 WeakPolarHBondContact O-CB 3.38Å; V342-C346 PolarHBondContact O-N 3.33Å; G343-C346 WeakPolarHBondContact O-CB 3.36Å; G343-C346 PolarHBondContact O-N 3.28Å; S344-C346 VanDerWaalsContact C-N 3.34Å; S344-C346 PolarHBondContact O-N 3.23Å; C346-S349 PolarHBondContact O-N 3.43Å; C346-T350 PolarHBondContact O-N 3.13Å; C346-T350 VanDerWaalsContact O-N 3.1Å; C346-T350 PolarHBondContact O-OG1 3.22Å
347A92.9Very high91.2Very high0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-62.9-49177.200000112.3Y51 N196 G343 S344 S349 T350 S351Y51-A347 HydrophobicContact CD2-CB 3.85Å; Y51-A347 HydrophobicContact CE2-CB 3.19Å; N196-A347 HydrophobicContact CB-CB 3.98Å; N196-A347 WeakPolarHBondContact ND2-CB 3.33Å; N196-A347 VanDerWaalsContact OD1-CB 3.26Å; N196-A347 WeakPolarHBondContact OD1-CB 3.3Å; G343-A347 WeakPolarHBondContact O-CB 3.36Å; G343-A347 PolarHBondContact O-N 3.28Å; S344-A347 WeakPolarHBondContact O-CB 3.4Å; S344-A347 PolarHBondContact O-N 3.19Å; A347-S349 VanDerWaalsContact C-N 3.29Å; A347-S349 PolarHBondContact O-N 3.26Å; A347-T350 WeakPolarHBondContact O-CA 3.3Å; A347-T350 VanDerWaalsContact O-CB 3.27Å; A347-T350 WeakPolarHBondContact O-CB 3.43Å; A347-T350 PolarHBondContact O-N 3.41Å; A347-T350 VanDerWaalsContact O-N 3.07Å; A347-S351 PolarHBondContact O-N 3.44Å
348L93.5Very high91.2Very high0 Ų020.6 Ų20.60%011%0.111CC..Hα-helixtrans-62.1-37.1178.1-67.2169.6000111.4A48 V128 A131 W132 S344 T350 S351 L352A48-L348 HydrophobicContact CB-CD2 3.97Å; V128-L348 HydrophobicContact CG1-CB 4.39Å; V128-L348 HydrophobicContact CG1-CD2 4.19Å; V128-L348 VanDerWaalsContact CG1-O 3.23Å; V128-L348 WeakPolarHBondContact CG1-O 3.44Å; A131-L348 HydrophobicContact CB-CD1 4.49Å; A131-L348 HydrophobicContact CB-CD2 4.01Å; W132-L348 HydrophobicContact CB-CB 4.24Å; W132-L348 HydrophobicContact CB-CD1 4.41Å; W132-L348 HydrophobicContact CG-CB 4.23Å; S344-L348 WeakPolarHBondContact O-CB 3.27Å; S344-L348 WeakPolarHBondContact O-CG 3.38Å; S344-L348 PolarHBondContact O-N 3.48Å; L348-T350 VanDerWaalsContact C-N 3.32Å; L348-T350 PolarHBondContact O-N 3.03Å; L348-S351 PolarHBondContact O-N 3.36Å; L348-L352 VanDerWaalsContact O-CB 3.26Å; L348-L352 WeakPolarHBondContact O-CB 3.39Å; L348-L352 PolarHBondContact O-N 3.2Å
349S91.6Very high91.2Very high25 Ų2513.4 Ų13.418%0.1758%0.083CC..Hα-helixtrans-62.5-40.1173.5-54.80000112.1W132 L345 C346 A347 L353W132-S349 PolarHBondContact NE1-OG 2.88Å; L345-S349 WeakPolarHBondContact O-CB 3.29Å; L345-S349 PolarHBondContact O-N 3.32Å; L345-S349 PolarHBondContact O-OG 2.82Å; C346-S349 PolarHBondContact O-N 3.43Å; A347-S349 VanDerWaalsContact C-N 3.29Å; A347-S349 PolarHBondContact O-N 3.26Å; S349-L353 WeakPolarHBondContact O-CG 3.21Å; S349-L353 PolarHBondContact O-N 3.42Å; S349-L353 VanDerWaalsContact O-N 3.07Å
350T90.9Very high91.2Very high0 Ų09.8 Ų9.80%06%0.061CC..Hα-helixtrans-65.1-48.4176.6-48.30000111.2G43 N189 F192 T193 C346 A347 L348 L352 L353 G354G43-T350 VanDerWaalsContact CA-CG2 3.46Å; N189-T350 WeakPolarHBondContact OD1-CG2 3.31Å; F192-T350 HydrophobicContact CB-CG2 4.43Å; F192-T350 WeakPolarHBondContact CB-OG1 3.33Å; T193-T350 WeakPolarHBondContact OG1-CG2 3.31Å; C346-T350 PolarHBondContact O-N 3.13Å; C346-T350 VanDerWaalsContact O-N 3.1Å; C346-T350 PolarHBondContact O-OG1 3.22Å; A347-T350 WeakPolarHBondContact O-CA 3.3Å; A347-T350 VanDerWaalsContact O-CB 3.27Å; A347-T350 WeakPolarHBondContact O-CB 3.43Å; A347-T350 PolarHBondContact O-N 3.41Å; A347-T350 VanDerWaalsContact O-N 3.07Å; L348-T350 VanDerWaalsContact C-N 3.32Å; L348-T350 PolarHBondContact O-N 3.03Å; T350-L352 VanDerWaalsContact C-N 3.28Å; T350-L352 PolarHBondContact O-N 3.46Å; T350-L353 PolarHBondContact O-N 2.91Å; T350-G354 PolarHBondContact O-N 3.07Å
351S92.7Very high91.1Very high4 Ų410.5 Ų10.53%0.0286%0.064CC..Hα-helixtrans-65.2-34.2-180-179.90000111.9G43 S44 G47 A347 L348 G354 S355G43-S351 WeakPolarHBondContact O-CA 3.49Å; G43-S351 WeakPolarHBondContact O-CB 3.31Å; G43-S351 PolarHBondContact O-N 3.37Å; S44-S351 PolarHBondContact O-OG 2.87Å; G47-S351 VanDerWaalsContact CA-CB 3.47Å; A347-S351 PolarHBondContact O-N 3.44Å; L348-S351 PolarHBondContact O-N 3.36Å; S351-G354 PolarHBondContact O-N 2.83Å; S351-S355 WeakPolarHBondContact O-CB 3.45Å; S351-S355 PolarHBondContact O-N 3.48Å; S351-S355 PolarHBondContact O-OG 3.45Å
352L92.3Very high91.2Very high0 Ų010.4 Ų10.40%06%0.062CC..Hα-helixtrans-66.1-46.8174.9-171.452.9000111.7T125 V128 A129 L170 L174 L348 T350 G354 S355 I356T125-L352 HydrophobicContact CG2-CD1 3.7Å; T125-L352 WeakPolarHBondContact O-CD1 3.43Å; V128-L352 HydrophobicContact CB-CD1 4.35Å; V128-L352 HydrophobicContact CG1-CB 3.86Å; A129-L352 HydrophobicContact CB-CD1 4.21Å; A129-L352 HydrophobicContact CB-CD2 4.14Å; L170-L352 HydrophobicContact CD2-CD2 3.24Å; L170-L352 HydrophobicContact CG-CD2 3.87Å; L174-L352 HydrophobicContact CD1-CB 4.15Å; L174-L352 HydrophobicContact CD1-CD2 3.34Å; L174-L352 HydrophobicContact CD1-CG 3.59Å; L348-L352 VanDerWaalsContact O-CB 3.26Å; L348-L352 WeakPolarHBondContact O-CB 3.39Å; L348-L352 PolarHBondContact O-N 3.2Å; T350-L352 VanDerWaalsContact C-N 3.28Å; T350-L352 PolarHBondContact O-N 3.46Å; L352-G354 VanDerWaalsContact C-N 3.32Å; L352-G354 PolarHBondContact O-N 3.34Å; L352-S355 PolarHBondContact O-N 2.98Å; L352-I356 HydrophobicContact CD1-CD1 4.04Å; L352-I356 HydrophobicContact CD1-CG1 4.4Å; L352-I356 HydrophobicContact CG-CD1 4.06Å; L352-I356 VanDerWaalsContact O-CG1 3.3Å; L352-I356 WeakPolarHBondContact O-CG1 3.27Å; L352-I356 PolarHBondContact O-N 3.13Å
353L89.6Confident91.4Very high7 Ų76.5 Ų6.54%0.0374%0.038CC..Hα-helixtrans-59.3-44.6171.6-74.9172.9000111.3L174 L177 L178 V188 S349 T350 S355 I356 F357L174-L353 HydrophobicContact CB-CD2 4.42Å; L174-L353 HydrophobicContact CD2-CD2 4.14Å; L177-L353 HydrophobicContact CD2-CD2 4.24Å; L178-L353 HydrophobicContact CD1-CD2 4.15Å; L178-L353 HydrophobicContact CD2-CD2 4.32Å; L178-L353 HydrophobicContact CG-CD2 4.11Å; V188-L353 HydrophobicContact CG1-CD1 4.44Å; S349-L353 WeakPolarHBondContact O-CG 3.21Å; S349-L353 PolarHBondContact O-N 3.42Å; S349-L353 VanDerWaalsContact O-N 3.07Å; T350-L353 PolarHBondContact O-N 2.91Å; L353-S355 VanDerWaalsContact C-N 3.27Å; L353-S355 PolarHBondContact O-N 2.86Å; L353-I356 PolarHBondContact O-N 3.47Å; L353-F357 WeakPolarHBondContact O-CB 3.05Å; L353-F357 PolarHBondContact O-N 3.15Å
354G89.1Confident91.4Very high1 Ų16.7 Ų6.71%0.014%0.039CC..Hα-helixtrans-61.9-30.2178.300000114T350 S351 L352 P358T350-G354 PolarHBondContact O-N 3.07Å; S351-G354 PolarHBondContact O-N 2.83Å; L352-G354 VanDerWaalsContact C-N 3.32Å; L352-G354 PolarHBondContact O-N 3.34Å; G354-P358 WeakPolarHBondContact O-CD 3.32Å
355S89.6Confident91.3Very high13 Ų137 Ų79%0.0914%0.041CC..Hα-helixtrans-82.3-40.1177.5-60.50000112.7S351 L352 L353 F357 P358S351-S355 WeakPolarHBondContact O-CB 3.45Å; S351-S355 PolarHBondContact O-N 3.48Å; S351-S355 PolarHBondContact O-OG 3.45Å; L352-S355 PolarHBondContact O-N 2.98Å; L353-S355 VanDerWaalsContact C-N 3.27Å; L353-S355 PolarHBondContact O-N 2.86Å; S355-F357 VanDerWaalsContact C-N 3.31Å; S355-P358 WeakPolarHBondContact O-CD 3.38Å
356I90.6Very high91.4Very high0 Ų05.9 Ų5.90%04%0.036CC..Hα-helixtrans-72.2-30.1177.4-58.5165.2000110.5T125 L174 L178 L352 L353 M359 P360T125-I356 HydrophobicContact CG2-CD1 3.85Å; T125-I356 HydrophobicContact CG2-CG1 3.42Å; T125-I356 VanDerWaalsContact CG2-CG1 3.42Å; T125-I356 WeakPolarHBondContact OG1-CG1 3.34Å; L174-I356 HydrophobicContact CB-CD1 3.93Å; L178-I356 HydrophobicContact CD1-CB 3.51Å; L178-I356 HydrophobicContact CD1-CG2 3.31Å; L352-I356 HydrophobicContact CD1-CD1 4.04Å; L352-I356 HydrophobicContact CD1-CG1 4.4Å; L352-I356 HydrophobicContact CG-CD1 4.06Å; L352-I356 VanDerWaalsContact O-CG1 3.3Å; L352-I356 WeakPolarHBondContact O-CG1 3.27Å; L352-I356 PolarHBondContact O-N 3.13Å; L353-I356 PolarHBondContact O-N 3.47Å; I356-M359 PolarHBondContact O-N 3.1Å; I356-P360 WeakPolarHBondContact O-CD 3.46Å
357F89.3Confident91.4Very high11 Ų115.2 Ų5.25%0.0483%0.031CC..THydrogen-bonded Turntrans-58.4-57.3-176.5-171.2-103000114.7L32 L40 L178 V182 T276 L353 S355 M359 P360 R361L32-F357 HydrophobicContact CD1-CZ 4.41Å; L40-F357 HydrophobicContact CD1-CD1 4.03Å; L40-F357 HydrophobicContact CD1-CE1 4.43Å; L40-F357 HydrophobicContact CD1-CG 4.43Å; L40-F357 HydrophobicContact CD2-CD1 3.99Å; L40-F357 HydrophobicContact CD2-CE1 3.93Å; L178-F357 HydrophobicContact CD2-CD2 4.04Å; V182-F357 HydrophobicContact CB-CE2 4.27Å; V182-F357 HydrophobicContact CG1-CE2 3.59Å; V182-F357 HydrophobicContact CG1-CZ 3.7Å; V182-F357 HydrophobicContact CG2-CE2 3.99Å; T276-F357 HydrophobicContact CG2-CD1 4.13Å; T276-F357 HydrophobicContact CG2-CE1 3.5Å; L353-F357 WeakPolarHBondContact O-CB 3.05Å; L353-F357 PolarHBondContact O-N 3.15Å; S355-F357 VanDerWaalsContact C-N 3.31Å; F357-M359 VanDerWaalsContact C-N 3.29Å; F357-M359 PolarHBondContact O-N 3.38Å; F357-P360 WeakPolarHBondContact O-CD 3.41Å; F357-R361 VanDerWaalsContact CD1-NH1 3.34Å; F357-R361 VanDerWaalsContact CD2-NH1 3.25Å; F357-R361 VanDerWaalsContact CE2-NH1 3.31Å; F357-R361 VanDerWaalsContact CG-NH1 3.27Å; F357-R361 PolarHBondContact O-NH1 3.37Å
358P90.6Very high91.3Very high0 Ų09 Ų90%05%0.049CC..THydrogen-bonded Turntrans-70-23.4-177.529.5-37.9000113.6Y121 C272 T275 G354 S355 R361 V362Y121-P358 HydrophobicContact CD1-CG 3.64Å; Y121-P358 HydrophobicContact CD2-CB 4.4Å; Y121-P358 HydrophobicContact CD2-CG 4.2Å; Y121-P358 HydrophobicContact CE1-CB 4.06Å; Y121-P358 HydrophobicContact CE1-CG 3.39Å; Y121-P358 HydrophobicContact CE2-CB 3.83Å; Y121-P358 HydrophobicContact CE2-CG 3.93Å; Y121-P358 HydrophobicContact CG-CG 4.06Å; C272-P358 HydrophobicContact CB-CB 4.05Å; C272-P358 HydrophobicContact CB-CG 3.79Å; T275-P358 HydrophobicContact CG2-CB 3.93Å; G354-P358 WeakPolarHBondContact O-CD 3.32Å; S355-P358 WeakPolarHBondContact O-CD 3.38Å; P358-R361 WeakPolarHBondContact O-CB 3.23Å; P358-R361 PolarHBondContact O-N 2.98Å; P358-R361 VanDerWaalsContact O-N 3.11Å; P358-V362 PolarHBondContact O-N 3.42Å
359M90.6Very high91.1Very high0 Ų09.5 Ų9.50%05%0.051CC..Hα-helixtrans-57.5-51.7-171.6176.4-164.2-54.100114.3Y121 V122 T125 I356 F357 R361 V362 I363 S393Y121-M359 HydrophobicContact CD2-CB 4.25Å; Y121-M359 HydrophobicContact CG-CB 4.25Å; Y121-M359 WeakPolarHBondContact O-CE 3.45Å; V122-M359 HydrophobicContact CG2-CE 4.09Å; V122-M359 HydrophobicContact CG2-SD 3.99Å; T125-M359 WeakPolarHBondContact OG1-CE 3.38Å; I356-M359 PolarHBondContact O-N 3.1Å; F357-M359 VanDerWaalsContact C-N 3.29Å; F357-M359 PolarHBondContact O-N 3.38Å; M359-R361 PolarHBondContact O-N 3.33Å; M359-V362 PolarHBondContact O-N 3.47Å; M359-I363 HydrophobicContact CG-CD1 4.22Å; M359-I363 WeakPolarHBondContact O-CG1 3.48Å; M359-I363 PolarHBondContact O-N 3.49Å; M359-S393 WeakPolarHBondContact SD-CB 3.27Å; M359-S393 PolarHBondContact SD-OG 3.4Å
360P91Very high90.9Very high6 Ų68.3 Ų8.34%0.0394%0.043CC..Hα-helixtrans-63.3-25.3178.1-2232000113.5I356 F357 Y364 P386 A389 T390I356-P360 WeakPolarHBondContact O-CD 3.46Å; F357-P360 WeakPolarHBondContact O-CD 3.41Å; P360-Y364 WeakPolarHBondContact O-CB 3.47Å; P360-Y364 PolarHBondContact O-N 3.49Å; P360-P386 HydrophobicContact CB-CG 3.74Å; P360-A389 HydrophobicContact CB-CB 4.03Å; P360-T390 WeakPolarHBondContact CB-OG1 3.39Å; P360-T390 HydrophobicContact CG-CG2 4.01Å; P360-T390 VanDerWaalsContact CG-OG1 3.24Å; P360-T390 WeakPolarHBondContact CG-OG1 3.43Å
361R90.5Very high90.9Very high15 Ų158.3 Ų8.36%0.0574%0.043CC..Hα-helixtrans-75.9-39.7-177.1-68.6173174.488.4-3.3111.8T94 V182 T275 E279 F357 P358 M359 A365T94-R361 HydrophobicContact CG2-CB 3.71Å; T94-R361 HydrophobicContact CG2-CG 4.41Å; V182-R361 VanDerWaalsContact CG2-NH2 3.32Å; T275-R361 HydrophobicContact CG2-CB 3.75Å; E279-R361 IonicContact OE1-CZ 3.14Å; E279-R361 IonicContact OE1-NE 3.55Å; E279-R361 PolarHBondContact OE1-NE 3.41Å; E279-R361 IonicContact OE1-NH2 3.85Å; E279-R361 PolarHBondContact OE1-NH2 3.47Å; E279-R361 IonicContact OE2-CZ 3.82Å; E279-R361 IonicContact OE2-NE 2.86Å; E279-R361 IonicContact OE2-NH2 2.64Å; E279-R361 PolarHBondContact OE2-NH2 3.26Å; F357-R361 VanDerWaalsContact CD1-NH1 3.34Å; F357-R361 VanDerWaalsContact CD2-NH1 3.25Å; F357-R361 VanDerWaalsContact CE2-NH1 3.31Å; F357-R361 VanDerWaalsContact CG-NH1 3.27Å; F357-R361 PolarHBondContact O-NH1 3.37Å; P358-R361 WeakPolarHBondContact O-CB 3.23Å; P358-R361 PolarHBondContact O-N 2.98Å; P358-R361 VanDerWaalsContact O-N 3.11Å; M359-R361 PolarHBondContact O-N 3.33Å; R361-A365 WeakPolarHBondContact O-CB 3.26Å; R361-A365 PolarHBondContact O-N 3.23Å
362V92.8Very high91Very high0 Ų08.5 Ų8.50%04%0.044CC..Hα-helixtrans-65-46.4171.9178.60000110.1L117 I118 Y121 T275 P358 M359 Y364 A365 M366L117-V362 HydrophobicContact CB-CG1 4.24Å; L117-V362 HydrophobicContact CD1-CG1 4.46Å; L117-V362 HydrophobicContact CD1-CG2 4.35Å; I118-V362 HydrophobicContact CG1-CG1 4.1Å; Y121-V362 HydrophobicContact CE2-CG2 3.98Å; T275-V362 HydrophobicContact CG2-CG2 3.95Å; P358-V362 PolarHBondContact O-N 3.42Å; M359-V362 PolarHBondContact O-N 3.47Å; V362-Y364 VanDerWaalsContact C-N 3.33Å; V362-Y364 PolarHBondContact O-N 2.75Å; V362-A365 PolarHBondContact O-N 2.93Å; V362-M366 HydrophobicContact CG1-CG 4.5Å; V362-M366 HydrophobicContact CG1-SD 4.09Å; V362-M366 WeakPolarHBondContact O-CG 3.47Å; V362-M366 PolarHBondContact O-N 2.69Å
363I94.4Very high91Very high10 Ų1013.2 Ų13.25%0.0516%0.064CC..Hα-helixtrans-60.1-44.9177.2-65.2171000110.9I118 M359 M366 A367 L376 A389 S393I118-I363 HydrophobicContact CD1-CG1 3.72Å; I118-I363 HydrophobicContact CG1-CG1 3.78Å; I118-I363 HydrophobicContact CG2-CD1 4.5Å; M359-I363 HydrophobicContact CG-CD1 4.22Å; M359-I363 WeakPolarHBondContact O-CG1 3.48Å; M359-I363 PolarHBondContact O-N 3.49Å; I363-M366 PolarHBondContact O-N 2.97Å; I363-A367 VanDerWaalsContact O-CB 3.22Å; I363-A367 WeakPolarHBondContact O-CB 3.26Å; I363-A367 PolarHBondContact O-N 2.67Å; I363-L376 HydrophobicContact CG2-CB 3.85Å; I363-L376 HydrophobicContact CG2-CD1 3.83Å; I363-L376 HydrophobicContact CG2-CD2 4.29Å; I363-L376 HydrophobicContact CG2-CG 4.2Å; I363-A389 HydrophobicContact CB-CB 4.15Å; I363-A389 HydrophobicContact CG2-CB 3.8Å; I363-S393 VanDerWaalsContact CD1-CB 3.44Å
364Y91.8Very high91Very high7 Ų717.4 Ų17.43%0.0278%0.082CC..Hα-helixtrans-58.2-49.1175.9167-93.5000111.5P360 V362 M366 A367 E368 A377 I379 P386P360-Y364 WeakPolarHBondContact O-CB 3.47Å; P360-Y364 PolarHBondContact O-N 3.49Å; V362-Y364 VanDerWaalsContact C-N 3.33Å; V362-Y364 PolarHBondContact O-N 2.75Å; Y364-M366 PolarHBondContact O-N 2.97Å; Y364-A367 PolarHBondContact O-N 3.16Å; Y364-E368 VanDerWaalsContact CE1-OE2 3.25Å; Y364-E368 WeakPolarHBondContact CE1-OE2 3.38Å; Y364-E368 VanDerWaalsContact CZ-OE2 3.28Å; Y364-E368 WeakPolarHBondContact O-CB 3.36Å; Y364-E368 PolarHBondContact O-N 3.16Å; Y364-E368 PolarHBondContact OH-OE1 2.98Å; Y364-E368 PolarHBondContact OH-OE2 3.14Å; Y364-A377 HydrophobicContact CD2-CB 4.4Å; Y364-A377 HydrophobicContact CE2-CB 4.4Å; Y364-A377 VanDerWaalsContact CE2-O 3.28Å; Y364-A377 WeakPolarHBondContact CE2-O 3.31Å; Y364-I379 HydrophobicContact CD2-CD1 4.24Å; Y364-I379 HydrophobicContact CD2-CG1 4.01Å; Y364-I379 HydrophobicContact CE2-CD1 3.43Å; Y364-I379 VanDerWaalsContact CE2-CD1 3.43Å; Y364-I379 HydrophobicContact CE2-CG1 3.56Å; Y364-P386 HydrophobicContact CD2-CB 4.26Å
365A90.4Very high91.1Very high9 Ų919.7 Ų19.77%0.07410%0.101CC..Hα-helixtrans-61.8-43.9-179.900000112.1Y98 R361 V362 A367 E368 D369Y98-A365 HydrophobicContact CD1-CB 4.37Å; Y98-A365 HydrophobicContact CE1-CB 4.35Å; R361-A365 WeakPolarHBondContact O-CB 3.26Å; R361-A365 PolarHBondContact O-N 3.23Å; V362-A365 PolarHBondContact O-N 2.93Å; A365-A367 VanDerWaalsContact C-N 3.35Å; A365-A367 PolarHBondContact O-N 3.4Å; A365-E368 PolarHBondContact O-N 2.94Å; A365-D369 PolarHBondContact O-N 2.89Å; A365-D369 VanDerWaalsContact O-N 3.12Å
366M93.4Very high91.1Very high0 Ų020.4 Ų20.40%010%0.104CC..Hα-helixtrans-65.2-36.6175.6-71.4-17880.600112.6Y98 F111 I118 V362 I363 Y364 G370 V371 L372Y98-M366 HydrophobicContact CD1-CG 4.08Å; Y98-M366 HydrophobicContact CD2-CE 4.36Å; Y98-M366 HydrophobicContact CD2-CG 3.68Å; Y98-M366 HydrophobicContact CD2-SD 4.26Å; Y98-M366 HydrophobicContact CE1-CG 4.01Å; Y98-M366 HydrophobicContact CE2-CE 4.37Å; Y98-M366 HydrophobicContact CE2-CG 3.63Å; Y98-M366 HydrophobicContact CG-CG 3.93Å; F111-M366 HydrophobicContact CD2-CE 3.7Å; F111-M366 HydrophobicContact CE2-CE 3.98Å; I118-M366 HydrophobicContact CD1-SD 3.59Å; I118-M366 VanDerWaalsContact CD1-SD 3.59Å; I118-M366 HydrophobicContact CG1-SD 4.47Å; V362-M366 HydrophobicContact CG1-CG 4.5Å; V362-M366 HydrophobicContact CG1-SD 4.09Å; V362-M366 WeakPolarHBondContact O-CG 3.47Å; V362-M366 PolarHBondContact O-N 2.69Å; I363-M366 PolarHBondContact O-N 2.97Å; Y364-M366 PolarHBondContact O-N 2.97Å; M366-G370 PolarHBondContact O-N 3.49Å; M366-V371 HydrophobicContact CB-CG2 3.82Å; M366-V371 HydrophobicContact CE-CG2 4.25Å; M366-V371 HydrophobicContact CG-CG2 4.24Å; M366-V371 WeakPolarHBondContact O-CG2 3.48Å; M366-V371 PolarHBondContact O-N 3.3Å; M366-V371 VanDerWaalsContact O-N 3.16Å; M366-L372 HydrophobicContact CB-CB 4.21Å; M366-L372 HydrophobicContact CB-CD1 3.65Å; M366-L372 HydrophobicContact CB-CG 3.92Å; M366-L372 HydrophobicContact CE-CD1 4.05Å; M366-L372 HydrophobicContact CE-CG 4.12Å; M366-L372 HydrophobicContact CG-CD1 4.4Å; M366-L372 PolarHBondContact O-N 3.34Å; M366-L372 VanDerWaalsContact O-N 3.17Å; M366-L372 HydrophobicContact SD-CD1 3.91Å
367A92.7Very high91Very high1 Ų121.5 Ų21.51%0.00811%0.113CC..Hα-helixtrans-75.1-3417800000112.7I363 Y364 A365 D369 G370 L372 F373 L376 A377I363-A367 VanDerWaalsContact O-CB 3.22Å; I363-A367 WeakPolarHBondContact O-CB 3.26Å; I363-A367 PolarHBondContact O-N 2.67Å; Y364-A367 PolarHBondContact O-N 3.16Å; A365-A367 VanDerWaalsContact C-N 3.35Å; A365-A367 PolarHBondContact O-N 3.4Å; A367-D369 VanDerWaalsContact C-N 3.32Å; A367-G370 PolarHBondContact O-N 3.24Å; A367-G370 VanDerWaalsContact O-N 3.14Å; A367-L372 HydrophobicContact CB-CB 4.32Å; A367-F373 WeakPolarHBondContact CB-O 3.38Å; A367-L376 HydrophobicContact CB-CB 3.8Å; A367-A377 HydrophobicContact CB-CB 3.81Å
368E89.1Confident91Very high80 Ų8029.3 Ų29.337%0.37414%0.142SC..Hα-helixtrans-64-39.4173.2-178.4163.4-140.600110.9K27 Y364 A365 G370 A377K27-E368 IonicContact NZ-OE1 2.75Å; K27-E368 PolarHBondContact NZ-OE1 3.43Å; Y364-E368 VanDerWaalsContact CE1-OE2 3.25Å; Y364-E368 WeakPolarHBondContact CE1-OE2 3.38Å; Y364-E368 VanDerWaalsContact CZ-OE2 3.28Å; Y364-E368 WeakPolarHBondContact O-CB 3.36Å; Y364-E368 PolarHBondContact O-N 3.16Å; Y364-E368 PolarHBondContact OH-OE1 2.98Å; Y364-E368 PolarHBondContact OH-OE2 3.14Å; A365-E368 PolarHBondContact O-N 2.94Å; E368-G370 PolarHBondContact O-N 3.37Å; E368-A377 HydrophobicContact CB-CB 4.48Å
369D89.4Confident90.8Very high10 Ų1031.3 Ų31.35%0.05315%0.152CC..THydrogen-bonded Turntrans-74.5-6.9174.3-70.5-19.7000113.6K16 Y98 Y102 A365 A367 V371 S605 A606K16-D369 IonicContact NZ-OD1 3.22Å; K16-D369 PolarHBondContact NZ-OD1 3.48Å; K16-D369 IonicContact NZ-OD2 2.58Å; K16-D369 PolarHBondContact NZ-OD2 2.99Å; Y98-D369 VanDerWaalsContact CE1-OD2 3.3Å; Y98-D369 WeakPolarHBondContact CE1-OD2 3.28Å; Y98-D369 VanDerWaalsContact OH-CB 3.23Å; Y98-D369 WeakPolarHBondContact OH-CB 3.11Å; Y98-D369 PolarHBondContact OH-OD2 3.48Å; Y102-D369 HydrophobicContact CE1-CB 4.07Å; A365-D369 PolarHBondContact O-N 2.89Å; A365-D369 VanDerWaalsContact O-N 3.12Å; A367-D369 VanDerWaalsContact C-N 3.32Å; D369-V371 HydrophobicContact CB-CG2 4.46Å; D369-V371 PolarHBondContact O-N 2.98Å; D369-S605 WeakPolarHBondContact O-CA 3.36Å; D369-A606 WeakPolarHBondContact O-CB 3.2Å; D369-A606 PolarHBondContact O-N 3.13Å
370G88.9Confident90.5Very high0 Ų034 Ų340%017%0.166CC..THydrogen-bonded Turntrans74.74.3177.600000115M366 A367 E368 L372 H604M366-G370 PolarHBondContact O-N 3.49Å; A367-G370 PolarHBondContact O-N 3.24Å; A367-G370 VanDerWaalsContact O-N 3.14Å; E368-G370 PolarHBondContact O-N 3.37Å; G370-L372 VanDerWaalsContact C-N 3.27Å; G370-H604 CarbonylContact O-C 3.4Å
371V91.2Very high90Very high1 Ų138.5 Ų38.51%0.00620%0.196CC..SBendtrans-73.6-22.1172.2-62.80000111.9Y98 E107 F111 M366 D369 G601Y98-V371 HydrophobicContact CE2-CG2 4.08Å; Y98-V371 WeakPolarHBondContact OH-CG2 3.28Å; E107-V371 HydrophobicContact CG-CG1 4.11Å; F111-V371 HydrophobicContact CD2-CB 4.48Å; M366-V371 HydrophobicContact CB-CG2 3.82Å; M366-V371 HydrophobicContact CE-CG2 4.25Å; M366-V371 HydrophobicContact CG-CG2 4.24Å; M366-V371 WeakPolarHBondContact O-CG2 3.48Å; M366-V371 PolarHBondContact O-N 3.3Å; M366-V371 VanDerWaalsContact O-N 3.16Å; D369-V371 HydrophobicContact CB-CG2 4.46Å; D369-V371 PolarHBondContact O-N 2.98Å; V371-G601 WeakPolarHBondContact O-CA 3.27Å
372L93.1Very high89.6Confident8 Ų847 Ų474%0.04223%0.233CC..SBendtrans-117.5168.7166-75.1-178.9000112F111 I118 M366 A367 G370 K374 I596 Y600F111-L372 HydrophobicContact CE2-CD2 4.26Å; I118-L372 HydrophobicContact CD1-CD1 3.84Å; M366-L372 HydrophobicContact CB-CB 4.21Å; M366-L372 HydrophobicContact CB-CD1 3.65Å; M366-L372 HydrophobicContact CB-CG 3.92Å; M366-L372 HydrophobicContact CE-CD1 4.05Å; M366-L372 HydrophobicContact CE-CG 4.12Å; M366-L372 HydrophobicContact CG-CD1 4.4Å; M366-L372 PolarHBondContact O-N 3.34Å; M366-L372 VanDerWaalsContact O-N 3.17Å; M366-L372 HydrophobicContact SD-CD1 3.91Å; A367-L372 HydrophobicContact CB-CB 4.32Å; G370-L372 VanDerWaalsContact C-N 3.27Å; L372-K374 PolarHBondContact O-N 2.94Å; L372-I596 HydrophobicContact CD2-CG2 3.96Å; L372-Y600 VanDerWaalsContact C-CE1 3.44Å; L372-Y600 VanDerWaalsContact O-CE1 3.27Å; L372-Y600 WeakPolarHBondContact O-CE1 3.29Å
373F92.8Very high88.9Confident99 Ų9948.9 Ų48.943%0.43425%0.245SC..  trans-54.1122.3-178-56.7-70.2000112.4A367 A375 L376 I596 Y600A367-F373 WeakPolarHBondContact CB-O 3.38Å; F373-A375 PolarHBondContact O-N 3.32Å; F373-L376 HydrophobicContact CB-CD1 4.3Å; F373-L376 WeakPolarHBondContact O-CB 3.33Å; F373-L376 PolarHBondContact O-N 3.26Å; F373-I596 HydrophobicContact CE2-CG2 4.2Å; F373-I596 HydrophobicContact CZ-CG2 4.25Å; F373-Y600 HydrophobicContact CD1-CD1 4.2Å; F373-Y600 AromaticContact CD1-CD2 3.97Å; F373-Y600 HydrophobicContact CD1-CD2 3.97Å; F373-Y600 HydrophobicContact CD1-CE1 4.29Å; F373-Y600 HydrophobicContact CD1-CE2 4.01Å; F373-Y600 HydrophobicContact CD1-CG 4.07Å; F373-Y600 HydrophobicContact CE1-CD1 4.43Å; F373-Y600 HydrophobicContact CE1-CD2 4.03Å; F373-Y600 AromaticContact CE1-CG 3.98Å; F373-Y600 HydrophobicContact CE1-CG 3.98Å
374K89.6Confident88.3Confident95 Ų9553.4 Ų53.441%0.41326%0.264SS..G310 helixtrans-59.9-19.6-175.5-74.7-174.5178.7-172.80114.3L372 L376 A377 Y600L372-K374 PolarHBondContact O-N 2.94Å; K374-L376 PolarHBondContact O-N 3.41Å; K374-A377 WeakPolarHBondContact O-CB 3.27Å; K374-A377 PolarHBondContact O-N 3.33Å; K374-Y600 PolarHBondContact N-OH 3Å
375A90.6Very high87.8Confident49 Ų4953.4 Ų53.441%0.40527%0.265SS..G310 helixtrans-60.5-31.7174.900000112.7F373 A377 R378F373-A375 PolarHBondContact O-N 3.32Å; A375-A377 VanDerWaalsContact C-N 3.26Å; A375-A377 PolarHBondContact O-N 2.9Å; A375-R378 PolarHBondContact O-N 2.74Å
376L91.4Very high87.6Confident27 Ų2753.4 Ų53.414%0.14126%0.264CS..G310 helixtrans-73.8-16.4-179.9-63.6164.9000112.9I363 A367 F373 K374 R378 I388 S392I363-L376 HydrophobicContact CG2-CB 3.85Å; I363-L376 HydrophobicContact CG2-CD1 3.83Å; I363-L376 HydrophobicContact CG2-CD2 4.29Å; I363-L376 HydrophobicContact CG2-CG 4.2Å; A367-L376 HydrophobicContact CB-CB 3.8Å; F373-L376 HydrophobicContact CB-CD1 4.3Å; F373-L376 WeakPolarHBondContact O-CB 3.33Å; F373-L376 PolarHBondContact O-N 3.26Å; K374-L376 PolarHBondContact O-N 3.41Å; L376-R378 VanDerWaalsContact C-N 3.27Å; L376-R378 PolarHBondContact O-N 3.17Å; L376-I388 HydrophobicContact CD2-CG2 4.09Å; L376-S392 WeakPolarHBondContact CD2-OG 3.38Å
377A88Confident87.5Confident24 Ų2455.5 Ų55.520%0.19828%0.277CS..G310 helixtrans-81.2-0.7176.700000113.6Y364 A367 E368 K374 A375 I379Y364-A377 HydrophobicContact CD2-CB 4.4Å; Y364-A377 HydrophobicContact CE2-CB 4.4Å; Y364-A377 VanDerWaalsContact CE2-O 3.28Å; Y364-A377 WeakPolarHBondContact CE2-O 3.31Å; A367-A377 HydrophobicContact CB-CB 3.81Å; E368-A377 HydrophobicContact CB-CB 4.48Å; K374-A377 WeakPolarHBondContact O-CB 3.27Å; K374-A377 PolarHBondContact O-N 3.33Å; A375-A377 VanDerWaalsContact C-N 3.26Å; A375-A377 PolarHBondContact O-N 2.9Å; A377-I379 PolarHBondContact O-N 3.4Å
378R87.8Confident87.4Confident175 Ų17559 Ų5966%0.6630%0.295SS*.PPolyproline II helixtrans-74120.2-178.7-69.6-176.3-175.31752.7111A375 L376 I388A375-R378 PolarHBondContact O-N 2.74Å; L376-R378 VanDerWaalsContact C-N 3.27Å; L376-R378 PolarHBondContact O-N 3.17Å; R378-I388 HydrophobicContact CB-CD1 4.27Å
379I86.3Confident87.5Confident41 Ų4155.2 Ų55.221%0.2128%0.277CS..PPolyproline II helixtrans-95.5136.6174.9-62.6172000109.8K27 Y364 A377 K384K27-I379 HydrophobicContact CB-CD1 3.77Å; K27-I379 HydrophobicContact CD-CD1 4.1Å; Y364-I379 HydrophobicContact CD2-CD1 4.24Å; Y364-I379 HydrophobicContact CD2-CG1 4.01Å; Y364-I379 HydrophobicContact CE2-CD1 3.43Å; Y364-I379 VanDerWaalsContact CE2-CD1 3.43Å; Y364-I379 HydrophobicContact CE2-CG1 3.56Å; A377-I379 PolarHBondContact O-N 3.4Å; I379-K384 VanDerWaalsContact CG2-C 3.48Å
380N84.6Confident87.6Confident56 Ų5655 Ų5530%0.29928%0.276SS..PPolyproline II helixtrans-70.9126.3172.1178.8-0.1000110.5K382 T383 K384 T385 V387N380-K382 VanDerWaalsContact C-N 3.26Å; N380-K382 PolarHBondContact O-N 3.49Å; N380-K382 PolarHBondContact OD1-N 3.08Å; N380-T383 WeakPolarHBondContact CB-OG1 3.07Å; N380-T383 PolarHBondContact ND2-OG1 2.73Å; N380-T383 VanDerWaalsContact ND2-OG1 3.12Å; N380-K384 VanDerWaalsContact O-CA 3.3Å; N380-K384 WeakPolarHBondContact O-CA 3.25Å; N380-K384 PolarHBondContact O-N 3.15Å; N380-T385 PolarHBondContact N-O 3.3Å; N380-V387 HydrophobicContact CB-CG2 3.87Å
381P82.2Confident87.8Confident101 Ų10158.3 Ų58.366%0.65629%0.292SS*.THydrogen-bonded Turntrans-61.6-30.1-17723.5-35.3000114.3K384P381-K384 WeakPolarHBondContact O-CE 3.41Å
382K81.4Confident88Confident194 Ų19460.5 Ų60.584%0.84331%0.307SS*.THydrogen-bonded Turntrans-80.5-49.9-177.5-68.4-172.1178.5-176.60112.8N380N380-K382 VanDerWaalsContact C-N 3.26Å; N380-K382 PolarHBondContact O-N 3.49Å; N380-K382 PolarHBondContact OD1-N 3.08Å
383T77.9Confident88Confident39 Ų3960.3 Ų60.324%0.23931%0.307CS..THydrogen-bonded Turntrans-90.4-14.7-174.557.50000113F180 N380 T385F180-T383 VanDerWaalsContact O-CG2 3.26Å; F180-T383 WeakPolarHBondContact O-CG2 3.45Å; N380-T383 WeakPolarHBondContact CB-OG1 3.07Å; N380-T383 PolarHBondContact ND2-OG1 2.73Å; N380-T383 VanDerWaalsContact ND2-OG1 3.12Å; T383-T385 WeakPolarHBondContact CB-OG1 3.16Å; T383-T385 PolarHBondContact O-N 3.32Å; T383-T385 PolarHBondContact OG1-OG1 3.32Å
384K81.6Confident88.1Confident105 Ų10555.6 Ų55.646%0.45729%0.286SS..  trans55.230.1-172.6-56.2-66.7-177172.60112.8L28 I379 N380 P381L28-K384 WeakPolarHBondContact CD2-O 3.43Å; I379-K384 VanDerWaalsContact CG2-C 3.48Å; N380-K384 VanDerWaalsContact O-CA 3.3Å; N380-K384 WeakPolarHBondContact O-CA 3.25Å; N380-K384 PolarHBondContact O-N 3.15Å; P381-K384 WeakPolarHBondContact O-CE 3.41Å
385T81.7Confident88.4Confident8 Ų854.5 Ų54.55%0.04929%0.287CS..SBendtrans-116147.7178.855.30000112.1S179 V182 N380 T383 V387S179-T385 PolarHBondContact O-OG1 2.99Å; V182-T385 HydrophobicContact CG2-CG2 3.72Å; N380-T385 PolarHBondContact N-O 3.3Å; T383-T385 WeakPolarHBondContact CB-OG1 3.16Å; T383-T385 PolarHBondContact O-N 3.32Å; T383-T385 PolarHBondContact OG1-OG1 3.32Å; T385-V387 PolarHBondContact O-N 3.15Å; T385-V387 VanDerWaalsContact O-N 3.08Å
386P86.9Confident88.6Confident9 Ų955 Ų556%0.05829%0.285CS..  trans-8276.9177.334.4-36.2000111.7P360 Y364 I388 A389 T390P360-P386 HydrophobicContact CB-CG 3.74Å; Y364-P386 HydrophobicContact CD2-CB 4.26Å; P386-I388 VanDerWaalsContact C-N 3.33Å; P386-I388 PolarHBondContact O-N 2.93Å; P386-A389 HydrophobicContact CB-CB 4.07Å; P386-A389 HydrophobicContact CG-CB 4.48Å; P386-A389 WeakPolarHBondContact O-CB 3.5Å; P386-A389 PolarHBondContact O-N 3.38Å; P386-A389 VanDerWaalsContact O-N 3.15Å; P386-T390 PolarHBondContact O-N 2.89Å; P386-T390 PolarHBondContact O-OG1 3.01Å; P386-T390 VanDerWaalsContact O-OG1 3.09Å
387V89.4Confident88.8Confident43 Ų4353.7 Ų53.726%0.26128%0.278SS..Hα-helixtrans-57-40.5-172.2178.90000113.5N380 T385 T390 M391N380-V387 HydrophobicContact CB-CG2 3.87Å; T385-V387 PolarHBondContact O-N 3.15Å; T385-V387 VanDerWaalsContact O-N 3.08Å; V387-T390 PolarHBondContact O-N 3.07Å; V387-M391 HydrophobicContact CG1-CG 4.36Å; V387-M391 PolarHBondContact O-N 2.95Å
388I91.4Very high89.1Confident75 Ų7552.9 Ų52.939%0.38527%0.271SS..Hα-helixtrans-66.4-42.1-179.2-56.4178.3000110.4L376 R378 P386 S392L376-I388 HydrophobicContact CD2-CG2 4.09Å; R378-I388 HydrophobicContact CB-CD1 4.27Å; P386-I388 VanDerWaalsContact C-N 3.33Å; P386-I388 PolarHBondContact O-N 2.93Å; I388-S392 VanDerWaalsContact O-CB 3.27Å; I388-S392 WeakPolarHBondContact O-CB 3.34Å; I388-S392 PolarHBondContact O-N 2.92Å; I388-S392 PolarHBondContact O-OG 3.28Å
389A91.8Very high89.4Confident0 Ų048.1 Ų48.10%026%0.262CS..Hα-helixtrans-61.4-46.1175.200000110.5P360 I363 P386 S392 S393P360-A389 HydrophobicContact CB-CB 4.03Å; I363-A389 HydrophobicContact CB-CB 4.15Å; I363-A389 HydrophobicContact CG2-CB 3.8Å; P386-A389 HydrophobicContact CB-CB 4.07Å; P386-A389 HydrophobicContact CG-CB 4.48Å; P386-A389 WeakPolarHBondContact O-CB 3.5Å; P386-A389 PolarHBondContact O-N 3.38Å; P386-A389 VanDerWaalsContact O-N 3.15Å; A389-S392 PolarHBondContact O-OG 2.92Å; A389-S392 VanDerWaalsContact O-OG 3.1Å; A389-S393 VanDerWaalsContact O-CB 3.25Å; A389-S393 WeakPolarHBondContact O-CB 3.34Å; A389-S393 PolarHBondContact O-N 3.2Å; A389-S393 PolarHBondContact O-OG 3.45Å
390T91.6Very high89.7Confident5 Ų547.4 Ų47.43%0.03126%0.258CS..Hα-helixtrans-59.3-50.1178.3-48.10000113.7S175 L178 P360 P386 V387 S393 G394S175-T390 WeakPolarHBondContact O-CG2 3.49Å; L178-T390 HydrophobicContact CB-CG2 4.33Å; P360-T390 WeakPolarHBondContact CB-OG1 3.39Å; P360-T390 HydrophobicContact CG-CG2 4.01Å; P360-T390 VanDerWaalsContact CG-OG1 3.24Å; P360-T390 WeakPolarHBondContact CG-OG1 3.43Å; P386-T390 PolarHBondContact O-N 2.89Å; P386-T390 PolarHBondContact O-OG1 3.01Å; P386-T390 VanDerWaalsContact O-OG1 3.09Å; V387-T390 PolarHBondContact O-N 3.07Å; T390-S393 PolarHBondContact O-OG 3.37Å; T390-G394 PolarHBondContact O-N 3.3Å
391M93.3Very high90.1Very high70 Ų7044.8 Ų44.835%0.34524%0.244SC..Hα-helixtrans-70.9-41.3-177.2-67.9-55.3-58.700111.9V387 G394 V395V387-M391 HydrophobicContact CG1-CG 4.36Å; V387-M391 PolarHBondContact O-N 2.95Å; M391-G394 PolarHBondContact O-N 3.46Å; M391-V395 VanDerWaalsContact O-CG2 3.25Å; M391-V395 WeakPolarHBondContact O-CG2 3.33Å; M391-V395 PolarHBondContact O-N 2.88Å
392S93.8Very high90.5Very high47 Ų4743 Ų4333%0.32923%0.226SC..Hα-helixtrans-64.5-42.9179.158.30000112L376 I388 A389 V395 V396L376-S392 WeakPolarHBondContact CD2-OG 3.38Å; I388-S392 VanDerWaalsContact O-CB 3.27Å; I388-S392 WeakPolarHBondContact O-CB 3.34Å; I388-S392 PolarHBondContact O-N 2.92Å; I388-S392 PolarHBondContact O-OG 3.28Å; A389-S392 PolarHBondContact O-OG 2.92Å; A389-S392 VanDerWaalsContact O-OG 3.1Å; S392-V395 PolarHBondContact O-N 3.27Å; S392-V396 WeakPolarHBondContact O-CG2 3.44Å; S392-V396 PolarHBondContact O-N 3.21Å; S392-V396 VanDerWaalsContact O-N 3.14Å
393S93.8Very high90.9Very high4 Ų436.4 Ų36.43%0.02820%0.199CC..Hα-helixtrans-73-35.5179.873.20000112.5M359 I363 A389 T390 V395 V396 A397M359-S393 WeakPolarHBondContact SD-CB 3.27Å; M359-S393 PolarHBondContact SD-OG 3.4Å; I363-S393 VanDerWaalsContact CD1-CB 3.44Å; A389-S393 VanDerWaalsContact O-CB 3.25Å; A389-S393 WeakPolarHBondContact O-CB 3.34Å; A389-S393 PolarHBondContact O-N 3.2Å; A389-S393 PolarHBondContact O-OG 3.45Å; T390-S393 PolarHBondContact O-OG 3.37Å; S393-V395 VanDerWaalsContact C-N 3.35Å; S393-V396 PolarHBondContact O-N 2.9Å; S393-A397 PolarHBondContact O-N 3.23Å
394G95Very high91.3Very high0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-62-38.9170.900000112.9I171 T390 M391 A397 A398I171-G394 VanDerWaalsContact CG2-O 3.28Å; I171-G394 WeakPolarHBondContact CG2-O 3.5Å; T390-G394 PolarHBondContact O-N 3.3Å; M391-G394 PolarHBondContact O-N 3.46Å; G394-A397 PolarHBondContact O-N 3.14Å; G394-A398 WeakPolarHBondContact O-CB 3.12Å; G394-A398 PolarHBondContact O-N 2.86Å
395V95.4Very high91.4Very high72 Ų7234.6 Ų34.644%0.43619%0.191SC..Hα-helixtrans-64.8-43.1173.8168.80000111.4L172 M391 S392 S393 A397 A398 V399L172-V395 HydrophobicContact CD2-CG2 3.93Å; M391-V395 VanDerWaalsContact O-CG2 3.25Å; M391-V395 WeakPolarHBondContact O-CG2 3.33Å; M391-V395 PolarHBondContact O-N 2.88Å; S392-V395 PolarHBondContact O-N 3.27Å; S393-V395 VanDerWaalsContact C-N 3.35Å; V395-A397 VanDerWaalsContact C-N 3.32Å; V395-A397 PolarHBondContact O-N 3.07Å; V395-A398 PolarHBondContact O-N 3.42Å; V395-V399 WeakPolarHBondContact O-CG2 3.42Å; V395-V399 PolarHBondContact O-N 2.9Å
396V94.8Very high91.3Very high60 Ų6035.2 Ų35.236%0.36419%0.194SC..Hα-helixtrans-61.7-42.4176178.20000110.8V122 S392 S393 V399 M400V122-V396 HydrophobicContact CG1-CG1 3.87Å; S392-V396 WeakPolarHBondContact O-CG2 3.44Å; S392-V396 PolarHBondContact O-N 3.21Å; S392-V396 VanDerWaalsContact O-N 3.14Å; S393-V396 PolarHBondContact O-N 2.9Å; V396-V399 PolarHBondContact O-N 3.37Å; V396-M400 WeakPolarHBondContact O-CG 3.46Å; V396-M400 PolarHBondContact O-N 2.88Å
397A95.4Very high90.9Very high0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-63.2-40.7174.300000112.3V122 T125 S126 I171 S393 G394 V395 V399 M400 A401V122-A397 HydrophobicContact CG1-CB 4.19Å; T125-A397 HydrophobicContact CG2-CB 3.69Å; S126-A397 WeakPolarHBondContact OG-CA 3.17Å; S126-A397 PolarHBondContact OG-O 3.48Å; I171-A397 HydrophobicContact CG2-CB 4.2Å; S393-A397 PolarHBondContact O-N 3.23Å; G394-A397 PolarHBondContact O-N 3.14Å; V395-A397 VanDerWaalsContact C-N 3.32Å; V395-A397 PolarHBondContact O-N 3.07Å; A397-V399 VanDerWaalsContact C-N 3.33Å; A397-V399 PolarHBondContact O-N 3.26Å; A397-M400 PolarHBondContact O-N 3.49Å; A397-A401 PolarHBondContact O-N 2.76Å
398A95.9Very high90.3Very high6 Ų637.3 Ų37.35%0.0520%0.202CC..Hα-helixtrans-61.2-41.8175.600000112.1V168 I171 L172 G394 V395 M400 A401 F402V168-A398 HydrophobicContact CG1-CB 4.18Å; V168-A398 HydrophobicContact CG2-CB 4.39Å; V168-A398 WeakPolarHBondContact CG2-O 3.41Å; I171-A398 HydrophobicContact CB-CB 4.38Å; I171-A398 HydrophobicContact CD1-CB 4.49Å; I171-A398 HydrophobicContact CG2-CB 4.18Å; L172-A398 HydrophobicContact CD2-CB 4.35Å; L172-A398 HydrophobicContact CG-CB 4.4Å; G394-A398 WeakPolarHBondContact O-CB 3.12Å; G394-A398 PolarHBondContact O-N 2.86Å; V395-A398 PolarHBondContact O-N 3.42Å; A398-M400 VanDerWaalsContact C-N 3.34Å; A398-M400 PolarHBondContact O-N 2.96Å; A398-A401 PolarHBondContact O-N 3.34Å; A398-F402 WeakPolarHBondContact O-CB 3.42Å; A398-F402 PolarHBondContact O-N 2.75Å
399V94.3Very high90Very high75 Ų7533.8 Ų33.846%0.45518%0.184SC..Hα-helixtrans-63.6-40.51751730000111.4V395 V396 A397 F402 L403V395-V399 WeakPolarHBondContact O-CG2 3.42Å; V395-V399 PolarHBondContact O-N 2.9Å; V396-V399 PolarHBondContact O-N 3.37Å; A397-V399 VanDerWaalsContact C-N 3.33Å; A397-V399 PolarHBondContact O-N 3.26Å; V399-F402 WeakPolarHBondContact O-CB 3.31Å; V399-F402 PolarHBondContact O-N 3.48Å; V399-L403 HydrophobicContact CG1-CD1 3.81Å; V399-L403 HydrophobicContact CG1-CG 4.43Å; V399-L403 WeakPolarHBondContact O-CG 3.48Å; V399-L403 PolarHBondContact O-N 3.22Å; V399-L403 VanDerWaalsContact O-N 3.09Å
400M91.9Very high89.4Confident27 Ų2733.9 Ų33.913%0.13318%0.184CC..Hα-helixtrans-64.9-43.3176.7-71.1-66.9-172.600112V122 S126 V396 A397 A398 F402 L403 F404 L409 W589V122-M400 HydrophobicContact CG1-CG 3.96Å; S126-M400 WeakPolarHBondContact OG-CB 3.33Å; V396-M400 WeakPolarHBondContact O-CG 3.46Å; V396-M400 PolarHBondContact O-N 2.88Å; A397-M400 PolarHBondContact O-N 3.49Å; A398-M400 VanDerWaalsContact C-N 3.34Å; A398-M400 PolarHBondContact O-N 2.96Å; M400-F402 VanDerWaalsContact C-N 3.26Å; M400-F402 PolarHBondContact O-N 3.46Å; M400-L403 PolarHBondContact O-N 2.95Å; M400-F404 PolarHBondContact O-N 3.07Å; M400-F404 HydrophobicContact SD-CD2 3.73Å; M400-F404 HydrophobicContact SD-CE2 3.57Å; M400-F404 VanDerWaalsContact SD-CE2 3.57Å; M400-L409 HydrophobicContact CB-CD2 4.29Å; M400-W589 HydrophobicContact CE-CE3 4.3Å; M400-W589 HydrophobicContact CE-CZ3 4.01Å
401A92.5Very high88.6Confident0 Ų034.9 Ų34.90%019%0.189CC..Hα-helixtrans-64-31.2174.400000112.7R130 A167 I171 A397 A398R130-A401 WeakPolarHBondContact CD-O 3.31Å; R130-A401 HydrophobicContact CG-CB 4.24Å; A167-A401 HydrophobicContact CB-CB 4.39Å; I171-A401 HydrophobicContact CD1-CB 3.63Å; A397-A401 PolarHBondContact O-N 2.76Å; A398-A401 PolarHBondContact O-N 3.34Å
402F91.6Very high88Confident64 Ų6432.2 Ų32.228%0.28118%0.176SC..Hα-helixtrans-70.9-39177-178.7-88.2000112.6P163 F165 V168 A398 V399 M400P163-F402 HydrophobicContact CB-CD1 4.22Å; P163-F402 HydrophobicContact CB-CD2 3.65Å; P163-F402 HydrophobicContact CB-CE1 3.87Å; P163-F402 HydrophobicContact CB-CE2 3.27Å; P163-F402 HydrophobicContact CB-CG 4.12Å; P163-F402 HydrophobicContact CB-CZ 3.38Å; P163-F402 HydrophobicContact CG-CE2 4.19Å; P163-F402 HydrophobicContact CG-CZ 4.11Å; F165-F402 HydrophobicContact CD1-CE2 4.17Å; F165-F402 AromaticContact CE1-CE2 3.68Å; F165-F402 HydrophobicContact CE1-CE2 3.68Å; F165-F402 HydrophobicContact CZ-CE2 4.03Å; V168-F402 HydrophobicContact CG2-CB 3.89Å; V168-F402 HydrophobicContact CG2-CD2 4.15Å; A398-F402 WeakPolarHBondContact O-CB 3.42Å; A398-F402 PolarHBondContact O-N 2.75Å; V399-F402 WeakPolarHBondContact O-CB 3.31Å; V399-F402 PolarHBondContact O-N 3.48Å; M400-F402 VanDerWaalsContact C-N 3.26Å; M400-F402 PolarHBondContact O-N 3.46Å
403L88.7Confident87.6Confident55 Ų5530.5 Ų30.529%0.28816%0.163SC..Hα-helixtrans-93.8-33-171.2-66.8174.9000114.3L159 A160 V399 M400L159-L403 WeakPolarHBondContact CA-O 3.07Å; L159-L403 HydrophobicContact CD2-CD2 4.35Å; A160-L403 PolarHBondContact N-O 3.48Å; V399-L403 HydrophobicContact CG1-CD1 3.81Å; V399-L403 HydrophobicContact CG1-CG 4.43Å; V399-L403 WeakPolarHBondContact O-CG 3.48Å; V399-L403 PolarHBondContact O-N 3.22Å; V399-L403 VanDerWaalsContact O-N 3.09Å; M400-L403 PolarHBondContact O-N 2.95Å
404F86.8Confident87.2Confident45 Ų4530.3 Ų30.320%0.19716%0.162CC..SBendtrans-115.2148.7-167.8-64.7-75.8000112.9M400 L409M400-F404 PolarHBondContact O-N 3.07Å; M400-F404 HydrophobicContact SD-CD2 3.73Å; M400-F404 HydrophobicContact SD-CE2 3.57Å; M400-F404 VanDerWaalsContact SD-CE2 3.57Å; F404-L409 HydrophobicContact CB-CD1 4.32Å; F404-L409 HydrophobicContact CB-CD2 3.84Å; F404-L409 HydrophobicContact CB-CG 3.82Å
405D84.1Confident86.7Confident61 Ų6130.3 Ų30.333%0.32616%0.162SC..  trans-81.7162176.7-159.118000112.7R130 A160 K407 A408 L409R130-D405 IonicContact CZ-OD1 3.21Å; R130-D405 IonicContact NH2-OD1 2.76Å; R130-D405 PolarHBondContact NH2-OD1 3.31Å; A160-D405 HydrophobicContact CB-CB 4.33Å; D405-K407 PolarHBondContact O-N 3.43Å; D405-A408 WeakPolarHBondContact O-CB 3.29Å; D405-A408 PolarHBondContact O-N 3.49Å; D405-L409 VanDerWaalsContact O-CG 3.31Å; D405-L409 WeakPolarHBondContact O-CG 3.21Å; D405-L409 PolarHBondContact O-N 3.36Å
406L79.2Confident86.3Confident22 Ų2226.9 Ų26.912%0.11514%0.141CC..Hα-helixtrans-54.9-50.8-176.3179.563.4000112V52 S127 A131 A408 L409 V410V52-L406 HydrophobicContact CG1-CD2 3.7Å; S127-L406 VanDerWaalsContact O-CD1 3.26Å; S127-L406 WeakPolarHBondContact O-CD1 3.47Å; A131-L406 HydrophobicContact CB-CD1 4.45Å; A131-L406 HydrophobicContact CB-CD2 4.47Å; L406-A408 PolarHBondContact O-N 3.36Å; L406-L409 WeakPolarHBondContact O-CB 3.39Å; L406-L409 PolarHBondContact O-N 2.99Å; L406-V410 HydrophobicContact CD1-CG2 4.18Å; L406-V410 HydrophobicContact CG-CG2 4.4Å; L406-V410 WeakPolarHBondContact O-CG2 3.19Å; L406-V410 PolarHBondContact O-N 3.32Å
407K77.7Confident86.1Confident81 Ų8124 Ų2435%0.35212%0.124SC..Hα-helixtrans-59.4-47.1-179.4-169.2-177.8-166.485.10112.1E56 D405 L409 V410 D411E56-K407 WeakPolarHBondContact OE1-CD 3.34Å; E56-K407 WeakPolarHBondContact OE1-CG 3.4Å; E56-K407 IonicContact OE1-NZ 2.81Å; E56-K407 PolarHBondContact OE1-NZ 2.93Å; D405-K407 PolarHBondContact O-N 3.43Å; K407-L409 VanDerWaalsContact C-N 3.27Å; K407-L409 PolarHBondContact O-N 3.26Å; K407-V410 PolarHBondContact O-N 3.25Å; K407-D411 PolarHBondContact O-N 2.86Å
408A78.4Confident85.9Confident15 Ų1524 Ų2412%0.12412%0.124CC..Hα-helixtrans-58.5-38.5177.600000113D405 L406 M412D405-A408 WeakPolarHBondContact O-CB 3.29Å; D405-A408 PolarHBondContact O-N 3.49Å; L406-A408 PolarHBondContact O-N 3.36Å; A408-M412 WeakPolarHBondContact O-CB 3.47Å
409L83.4Confident85.7Confident1 Ų125.9 Ų25.91%0.00513%0.132CC..Hα-helixtrans-68.6-51.4174.7-70.9167000110.4I123 R130 M400 F404 D405 L406 K407 D411 M412 M413I123-L409 HydrophobicContact CG1-CD2 4.47Å; I123-L409 HydrophobicContact CG2-CB 3.72Å; I123-L409 HydrophobicContact CG2-CD2 3.96Å; I123-L409 HydrophobicContact CG2-CG 4.46Å; I123-L409 WeakPolarHBondContact CG2-O 3.22Å; R130-L409 HydrophobicContact CG-CD1 4.38Å; M400-L409 HydrophobicContact CB-CD2 4.29Å; F404-L409 HydrophobicContact CB-CD1 4.32Å; F404-L409 HydrophobicContact CB-CD2 3.84Å; F404-L409 HydrophobicContact CB-CG 3.82Å; D405-L409 VanDerWaalsContact O-CG 3.31Å; D405-L409 WeakPolarHBondContact O-CG 3.21Å; D405-L409 PolarHBondContact O-N 3.36Å; L406-L409 WeakPolarHBondContact O-CB 3.39Å; L406-L409 PolarHBondContact O-N 2.99Å; K407-L409 VanDerWaalsContact C-N 3.27Å; K407-L409 PolarHBondContact O-N 3.26Å; L409-D411 PolarHBondContact O-N 3.1Å; L409-M412 PolarHBondContact O-N 2.88Å; L409-M413 PolarHBondContact O-N 2.84Å
410V79.6Confident85.6Confident2 Ų222.3 Ų22.31%0.01211%0.111CC..Hα-helixtrans-55-49.3-178.2168.10000112.1L53 T262 Y265 L406 K407 M412 M413 S414L53-V410 HydrophobicContact CD1-CG1 4.3Å; L53-V410 HydrophobicContact CD2-CG1 4.23Å; T262-V410 HydrophobicContact CG2-CG1 4.32Å; Y265-V410 HydrophobicContact CD1-CG1 4.21Å; Y265-V410 HydrophobicContact CD1-CG2 4.32Å; Y265-V410 HydrophobicContact CD2-CB 4.25Å; Y265-V410 HydrophobicContact CD2-CG1 3.87Å; Y265-V410 HydrophobicContact CD2-CG2 4.03Å; Y265-V410 HydrophobicContact CE1-CG2 4.16Å; Y265-V410 HydrophobicContact CE2-CB 4.5Å; Y265-V410 HydrophobicContact CE2-CG2 3.85Å; Y265-V410 HydrophobicContact CG-CB 4.47Å; Y265-V410 HydrophobicContact CG-CG1 3.67Å; Y265-V410 HydrophobicContact CG-CG2 4.26Å; L406-V410 HydrophobicContact CD1-CG2 4.18Å; L406-V410 HydrophobicContact CG-CG2 4.4Å; L406-V410 WeakPolarHBondContact O-CG2 3.19Å; L406-V410 PolarHBondContact O-N 3.32Å; K407-V410 PolarHBondContact O-N 3.25Å; V410-M412 VanDerWaalsContact C-N 3.31Å; V410-M412 PolarHBondContact O-N 3.5Å; V410-M413 WeakPolarHBondContact O-CB 3.48Å; V410-M413 PolarHBondContact O-N 3.28Å; V410-S414 PolarHBondContact O-N 3.48Å; V410-S414 PolarHBondContact O-OG 3.13Å
411D75.9Confident85.7Confident26 Ų2621 Ų2114%0.13911%0.105CC..Hα-helixtrans-62-40.7-178.6-67.4-20000111.9K407 L409 M413 S414 T582K407-D411 PolarHBondContact O-N 2.86Å; L409-D411 PolarHBondContact O-N 3.1Å; D411-M413 VanDerWaalsContact C-N 3.35Å; D411-M413 PolarHBondContact O-N 3.48Å; D411-S414 PolarHBondContact O-N 3.37Å; D411-T582 HydrophobicContact CB-CG2 3.85Å; D411-T582 WeakPolarHBondContact O-CG2 3.32Å
412M80.3Confident85.8Confident13 Ų1321.4 Ų21.46%0.06411%0.108CC..Hα-helixtrans-68.5-33.7-179.3-174.7-178.4170.400112.2L119 I123 A408 L409 V410 T582 R585 W589L119-M412 HydrophobicContact CD1-CE 3.52Å; L119-M412 HydrophobicContact CD2-CE 3.94Å; L119-M412 HydrophobicContact CG-CE 4.22Å; I123-M412 HydrophobicContact CD1-CB 3.83Å; I123-M412 HydrophobicContact CD1-CE 3.9Å; I123-M412 HydrophobicContact CD1-CG 3.46Å; I123-M412 VanDerWaalsContact CD1-CG 3.46Å; I123-M412 HydrophobicContact CD1-SD 3.57Å; I123-M412 VanDerWaalsContact CD1-SD 3.57Å; A408-M412 WeakPolarHBondContact O-CB 3.47Å; L409-M412 PolarHBondContact O-N 2.88Å; V410-M412 VanDerWaalsContact C-N 3.31Å; V410-M412 PolarHBondContact O-N 3.5Å; M412-T582 HydrophobicContact CB-CG2 4.47Å; M412-R585 HydrophobicContact SD-CB 4.08Å; M412-W589 HydrophobicContact CE-CB 4.01Å; M412-W589 HydrophobicContact CE-CG 4.47Å
413M85.1Confident85.8Confident11 Ų1119.4 Ų19.45%0.05410%0.1CC..Hα-helixtrans-66.4-40176-178.5167.4168.200112.7I123 G124 Y265 V268 L409 V410 D411 I415 G416 T417I123-M413 HydrophobicContact CB-CB 4.24Å; I123-M413 HydrophobicContact CG2-CB 3.73Å; I123-M413 HydrophobicContact CG2-SD 4.48Å; G124-M413 VanDerWaalsContact CA-SD 3.54Å; Y265-M413 HydrophobicContact CD2-CB 4.49Å; Y265-M413 HydrophobicContact CD2-CE 4.36Å; Y265-M413 HydrophobicContact CD2-CG 4.38Å; Y265-M413 HydrophobicContact CD2-SD 3.71Å; Y265-M413 HydrophobicContact CE2-CE 4.22Å; Y265-M413 HydrophobicContact CE2-SD 3.45Å; Y265-M413 WeakPolarHBondContact CE2-SD 3.45Å; V268-M413 HydrophobicContact CB-CE 3.73Å; V268-M413 HydrophobicContact CG1-CE 3.3Å; V268-M413 HydrophobicContact CG2-CE 4.38Å; L409-M413 PolarHBondContact O-N 2.84Å; V410-M413 WeakPolarHBondContact O-CB 3.48Å; V410-M413 PolarHBondContact O-N 3.28Å; D411-M413 VanDerWaalsContact C-N 3.35Å; D411-M413 PolarHBondContact O-N 3.48Å; M413-I415 PolarHBondContact O-N 2.92Å; M413-G416 PolarHBondContact O-N 3.34Å; M413-T417 PolarHBondContact O-N 2.95Å; M413-T417 VanDerWaalsContact O-N 3.13Å; M413-T417 PolarHBondContact O-OG1 3.4Å
414S84.4Confident86.1Confident0 Ų016.8 Ų16.80%09%0.086CC..Hα-helixtrans-61.6-43-176.4-68.40000112V410 D411 G416 T417 L418V410-S414 PolarHBondContact O-N 3.48Å; V410-S414 PolarHBondContact O-OG 3.13Å; D411-S414 PolarHBondContact O-N 3.37Å; S414-G416 PolarHBondContact O-N 3.41Å; S414-T417 PolarHBondContact O-N 2.91Å; S414-L418 WeakPolarHBondContact O-CB 3.42Å; S414-L418 WeakPolarHBondContact O-CD1 3.5Å; S414-L418 WeakPolarHBondContact O-CG 3.44Å; S414-L418 PolarHBondContact O-N 2.82Å
415I86.4Confident86.4Confident0 Ų014.7 Ų14.70%08%0.077CC..Hα-helixtrans-57.3-53177.3-62.3-172.1000111.5M413 T417 L418 L419 M575 L578 T582 W583 F586M413-I415 PolarHBondContact O-N 2.92Å; I415-T417 VanDerWaalsContact C-N 3.28Å; I415-T417 PolarHBondContact O-N 3.3Å; I415-L418 PolarHBondContact O-N 3.35Å; I415-L419 WeakPolarHBondContact O-CB 3.41Å; I415-L419 PolarHBondContact O-N 3.46Å; I415-M575 HydrophobicContact CG2-CE 4.02Å; I415-L578 HydrophobicContact CB-CD1 4.41Å; I415-L578 HydrophobicContact CD1-CB 4.41Å; I415-L578 HydrophobicContact CD1-CD1 4.21Å; I415-L578 HydrophobicContact CG1-CB 4.4Å; I415-L578 HydrophobicContact CG1-CD1 3.33Å; I415-L578 HydrophobicContact CG1-CG 4.45Å; I415-T582 HydrophobicContact CD1-CG2 3.33Å; I415-T582 HydrophobicContact CG1-CG2 3.84Å; I415-W583 HydrophobicContact CD1-CD2 4.21Å; I415-W583 HydrophobicContact CD1-CG 4.27Å; I415-F586 HydrophobicContact CB-CD2 4.36Å; I415-F586 HydrophobicContact CD1-CB 4.42Å; I415-F586 HydrophobicContact CG2-CB 4.46Å; I415-F586 HydrophobicContact CG2-CD1 3.95Å; I415-F586 HydrophobicContact CG2-CD2 3.9Å; I415-F586 HydrophobicContact CG2-CE1 4.14Å; I415-F586 HydrophobicContact CG2-CE2 4.1Å; I415-F586 HydrophobicContact CG2-CG 3.82Å; I415-F586 HydrophobicContact CG2-CZ 4.23Å
416G86.9Confident86.9Confident0 Ų012.8 Ų12.80%07%0.067CC..Hα-helixtrans-62.4-38-17600000112.4M413 S414 A420M413-G416 PolarHBondContact O-N 3.34Å; S414-G416 PolarHBondContact O-N 3.41Å; G416-A420 PolarHBondContact O-N 2.58Å; G416-A420 VanDerWaalsContact O-N 3.07Å
417T90.3Very high87.5Confident1 Ų111.7 Ų11.71%0.0066%0.062CC..Hα-helixtrans-73.6-44.2-179.7-49.30000112S120 F264 V268 M413 S414 I415 L419 A420 Y421S120-T417 PolarHBondContact OG-OG1 3.07Å; F264-T417 HydrophobicContact CE1-CG2 4.2Å; V268-T417 HydrophobicContact CB-CG2 4.44Å; V268-T417 HydrophobicContact CG1-CG2 3.8Å; V268-T417 HydrophobicContact CG2-CG2 3.81Å; M413-T417 PolarHBondContact O-N 2.95Å; M413-T417 VanDerWaalsContact O-N 3.13Å; M413-T417 PolarHBondContact O-OG1 3.4Å; S414-T417 PolarHBondContact O-N 2.91Å; I415-T417 VanDerWaalsContact C-N 3.28Å; I415-T417 PolarHBondContact O-N 3.3Å; T417-L419 VanDerWaalsContact C-N 3.27Å; T417-L419 PolarHBondContact O-N 2.9Å; T417-A420 PolarHBondContact O-N 3.22Å; T417-A420 VanDerWaalsContact O-N 3.15Å; T417-Y421 HydrophobicContact CG2-CD1 3.99Å; T417-Y421 HydrophobicContact CG2-CD2 4.36Å; T417-Y421 HydrophobicContact CG2-CE1 3.48Å; T417-Y421 VanDerWaalsContact CG2-CE1 3.48Å; T417-Y421 HydrophobicContact CG2-CE2 3.84Å; T417-Y421 HydrophobicContact CG2-CG 4.41Å; T417-Y421 WeakPolarHBondContact O-CD1 3.48Å; T417-Y421 PolarHBondContact O-N 2.89Å
418L91.1Very high88.1Confident0 Ų07.9 Ų7.90%05%0.045CC..Hα-helixtrans-60.6-38.4176.1-71.6166000111.6F264 S414 I415 Y421 S422 N571 L574 M575 L578F264-L418 HydrophobicContact CD1-CD1 4.46Å; F264-L418 HydrophobicContact CD1-CD2 3.78Å; F264-L418 HydrophobicContact CD1-CG 3.92Å; F264-L418 HydrophobicContact CD2-CD2 3.96Å; F264-L418 HydrophobicContact CE1-CD2 3.46Å; F264-L418 VanDerWaalsContact CE1-CD2 3.46Å; F264-L418 HydrophobicContact CE1-CG 3.65Å; F264-L418 HydrophobicContact CE2-CD2 3.65Å; F264-L418 HydrophobicContact CG-CD2 4.01Å; F264-L418 HydrophobicContact CZ-CD2 3.37Å; F264-L418 HydrophobicContact CZ-CG 4.06Å; S414-L418 WeakPolarHBondContact O-CB 3.42Å; S414-L418 WeakPolarHBondContact O-CD1 3.5Å; S414-L418 WeakPolarHBondContact O-CG 3.44Å; S414-L418 PolarHBondContact O-N 2.82Å; I415-L418 PolarHBondContact O-N 3.35Å; L418-Y421 PolarHBondContact O-N 2.83Å; L418-S422 WeakPolarHBondContact O-CB 3.27Å; L418-S422 PolarHBondContact O-N 2.97Å; L418-S422 PolarHBondContact O-OG 2.94Å; L418-N571 HydrophobicContact CD2-CB 4.08Å; L418-L574 HydrophobicContact CD1-CB 3.98Å; L418-L574 HydrophobicContact CD2-CB 4.3Å; L418-L574 HydrophobicContact CD2-CD1 4.33Å; L418-M575 HydrophobicContact CB-CG 3.41Å; L418-M575 VanDerWaalsContact CB-CG 3.41Å; L418-M575 HydrophobicContact CB-SD 3.81Å; L418-M575 HydrophobicContact CD1-CG 3.69Å; L418-M575 HydrophobicContact CG-CG 4.17Å; L418-L578 HydrophobicContact CD1-CD1 4.32Å
419L91.6Very high88.7Confident44 Ų447.1 Ų7.123%0.234%0.039CC..Hα-helixtrans-64.8-45.5173.8-17858.7000111.6I112 N116 I415 T417 Y421 S422 L423 M575 F586I112-L419 HydrophobicContact CG2-CD2 4.39Å; N116-L419 VanDerWaalsContact ND2-CD2 3.3Å; N116-L419 WeakPolarHBondContact ND2-CD2 3.36Å; I415-L419 WeakPolarHBondContact O-CB 3.41Å; I415-L419 PolarHBondContact O-N 3.46Å; T417-L419 VanDerWaalsContact C-N 3.27Å; T417-L419 PolarHBondContact O-N 2.9Å; L419-Y421 VanDerWaalsContact C-N 3.35Å; L419-Y421 PolarHBondContact O-N 2.9Å; L419-S422 PolarHBondContact O-N 3.06Å; L419-L423 HydrophobicContact CD1-CD1 4.48Å; L419-L423 HydrophobicContact CG-CD1 4.38Å; L419-L423 WeakPolarHBondContact O-CG 3.44Å; L419-L423 PolarHBondContact O-N 2.67Å; L419-M575 HydrophobicContact CB-CE 3.9Å; L419-M575 HydrophobicContact CB-SD 4.25Å; L419-M575 HydrophobicContact CD1-CE 4.39Å; L419-F586 HydrophobicContact CD2-CZ 3.98Å
420A91.8Very high89Confident0 Ų07.4 Ų7.40%04%0.041CC..Hα-helixtrans-61.1-42.5176.400000111.9T113 L117 G416 T417 L423 V424T113-A420 HydrophobicContact CG2-CB 4.34Å; L117-A420 HydrophobicContact CD2-CB 4.38Å; G416-A420 PolarHBondContact O-N 2.58Å; G416-A420 VanDerWaalsContact O-N 3.07Å; T417-A420 PolarHBondContact O-N 3.22Å; T417-A420 VanDerWaalsContact O-N 3.15Å; A420-L423 PolarHBondContact O-N 3.46Å; A420-V424 WeakPolarHBondContact O-CG2 3.21Å; A420-V424 PolarHBondContact O-N 3.19Å
421Y93.8Very high89.3Confident0 Ų07.7 Ų7.70%04%0.042CC..Hα-helixtrans-68.5-39-179.8-71.58.8000111.9A80 Y84 F264 F270 D271 T417 L418 L419 L423 V424 A425 N571A80-Y421 HydrophobicContact CB-CD2 3.47Å; A80-Y421 VanDerWaalsContact CB-CD2 3.47Å; A80-Y421 HydrophobicContact CB-CE2 4.22Å; A80-Y421 HydrophobicContact CB-CG 3.88Å; Y84-Y421 AromaticContact CE2-CD1 3.41Å; Y84-Y421 HydrophobicContact CE2-CD1 3.41Å; Y84-Y421 VanDerWaalsContact CE2-CD1 3.41Å; Y84-Y421 AromaticContact CE2-CE1 3.79Å; Y84-Y421 HydrophobicContact CE2-CE1 3.79Å; Y84-Y421 HydrophobicContact CE2-CG 4.08Å; Y84-Y421 AromaticContact CZ-CD1 3.67Å; Y84-Y421 AromaticContact CZ-CE1 3.8Å; Y84-Y421 VanDerWaalsContact OH-CD1 3.23Å; Y84-Y421 WeakPolarHBondContact OH-CD1 2.99Å; Y84-Y421 WeakPolarHBondContact OH-CE1 3.2Å; F264-Y421 HydrophobicContact CE1-CD2 4.47Å; F264-Y421 HydrophobicContact CE1-CE2 4.28Å; F264-Y421 HydrophobicContact CE2-CD2 4.37Å; F264-Y421 HydrophobicContact CE2-CE2 4.42Å; F264-Y421 AromaticContact CZ-CD2 3.56Å; F264-Y421 HydrophobicContact CZ-CD2 3.56Å; F264-Y421 AromaticContact CZ-CE2 3.57Å; F264-Y421 HydrophobicContact CZ-CE2 3.57Å; F270-Y421 HydrophobicContact CE1-CD2 4.45Å; F270-Y421 HydrophobicContact CE1-CE1 4.48Å; F270-Y421 AromaticContact CE1-CE2 3.45Å; F270-Y421 HydrophobicContact CE1-CE2 3.45Å; F270-Y421 VanDerWaalsContact CE1-CE2 3.45Å; F270-Y421 AromaticContact CE1-CZ 3.46Å; F270-Y421 VanDerWaalsContact CE1-CZ 3.46Å; F270-Y421 WeakPolarHBondContact CE1-OH 3.4Å; F270-Y421 HydrophobicContact CZ-CD2 4.17Å; F270-Y421 AromaticContact CZ-CE1 3.99Å; F270-Y421 HydrophobicContact CZ-CE1 3.99Å; F270-Y421 AromaticContact CZ-CE2 3.47Å; F270-Y421 HydrophobicContact CZ-CE2 3.47Å; F270-Y421 VanDerWaalsContact CZ-CE2 3.47Å; F270-Y421 AromaticContact CZ-CZ 3.36Å; F270-Y421 WeakPolarHBondContact CZ-OH 2.94Å; D271-Y421 HydrophobicContact CB-CE1 4.18Å; D271-Y421 PolarHBondContact OD1-OH 3.15Å; D271-Y421 VanDerWaalsContact OD1-OH 3.07Å; T417-Y421 HydrophobicContact CG2-CD1 3.99Å; T417-Y421 HydrophobicContact CG2-CD2 4.36Å; T417-Y421 HydrophobicContact CG2-CE1 3.48Å; T417-Y421 VanDerWaalsContact CG2-CE1 3.48Å; T417-Y421 HydrophobicContact CG2-CE2 3.84Å; T417-Y421 HydrophobicContact CG2-CG 4.41Å; T417-Y421 WeakPolarHBondContact O-CD1 3.48Å; T417-Y421 PolarHBondContact O-N 2.89Å; L418-Y421 PolarHBondContact O-N 2.83Å; L419-Y421 VanDerWaalsContact C-N 3.35Å; L419-Y421 PolarHBondContact O-N 2.9Å; Y421-L423 VanDerWaalsContact C-N 3.32Å; Y421-L423 PolarHBondContact O-N 3.32Å; Y421-V424 PolarHBondContact O-N 2.94Å; Y421-A425 PolarHBondContact O-N 3.04Å; Y421-N571 WeakPolarHBondContact CB-ND2 3.39Å
422S94.1Very high89.8Confident9 Ų97 Ų76%0.0634%0.037CC..Hα-helixtrans-59.6-44171.9-57.20000111.3L418 L419 A425 V426 N571L418-S422 WeakPolarHBondContact O-CB 3.27Å; L418-S422 PolarHBondContact O-N 2.97Å; L418-S422 PolarHBondContact O-OG 2.94Å; L419-S422 PolarHBondContact O-N 3.06Å; S422-A425 PolarHBondContact O-N 2.89Å; S422-V426 WeakPolarHBondContact O-CG2 3.5Å; S422-V426 PolarHBondContact O-N 3.39Å; S422-N571 PolarHBondContact N-ND2 3.38Å; S422-N571 WeakPolarHBondContact OG-CB 3.44Å
423L93.1Very high90Very high22 Ų226.4 Ų6.412%0.1154%0.035CC..Hα-helixtrans-64.4-41.1176.7-76.2169.4000112F109 T113 L419 A420 Y421 A425 V426 C427F109-L423 HydrophobicContact CD1-CD2 4.3Å; T113-L423 WeakPolarHBondContact OG1-CD1 3.12Å; L419-L423 HydrophobicContact CD1-CD1 4.48Å; L419-L423 HydrophobicContact CG-CD1 4.38Å; L419-L423 WeakPolarHBondContact O-CG 3.44Å; L419-L423 PolarHBondContact O-N 2.67Å; A420-L423 PolarHBondContact O-N 3.46Å; Y421-L423 VanDerWaalsContact C-N 3.32Å; Y421-L423 PolarHBondContact O-N 3.32Å; L423-A425 PolarHBondContact O-N 2.72Å; L423-V426 WeakPolarHBondContact O-CB 3.48Å; L423-V426 PolarHBondContact O-N 3.43Å; L423-C427 PolarHBondContact O-N 2.94Å; L423-C427 PolarHBondContact O-SG 3.42Å
424V93.9Very high89.8Confident0 Ų06.6 Ų6.60%04%0.035CC..Hα-helixtrans-64.8-39.6175.8174.70000112.1C83 Y84 A97 Y100 A420 Y421 V426 C427 V428C83-V424 HydrophobicContact CB-CG1 4.31Å; Y84-V424 HydrophobicContact CD2-CB 4.12Å; Y84-V424 HydrophobicContact CD2-CG1 3.71Å; Y84-V424 HydrophobicContact CD2-CG2 4.39Å; Y84-V424 HydrophobicContact CE1-CG2 4.11Å; Y84-V424 HydrophobicContact CE2-CB 3.71Å; Y84-V424 HydrophobicContact CE2-CG1 3.82Å; Y84-V424 HydrophobicContact CE2-CG2 3.69Å; Y84-V424 HydrophobicContact CG-CG1 4.12Å; A97-V424 HydrophobicContact CB-CG2 3.36Å; Y100-V424 HydrophobicContact CD2-CG1 4.18Å; Y100-V424 HydrophobicContact CD2-CG2 4.11Å; A420-V424 WeakPolarHBondContact O-CG2 3.21Å; A420-V424 PolarHBondContact O-N 3.19Å; Y421-V424 PolarHBondContact O-N 2.94Å; V424-V426 VanDerWaalsContact C-N 3.32Å; V424-V426 PolarHBondContact O-N 3.45Å; V424-C427 WeakPolarHBondContact O-CB 2.96Å; V424-C427 PolarHBondContact O-N 3.46Å; V424-C427 VanDerWaalsContact O-N 3.14Å; V424-V428 PolarHBondContact O-N 2.95Å
425A94.5Very high89.4Confident0 Ų07.8 Ų7.80%04%0.043CC..Hα-helixtrans-61-41.5174.100000111.7Y421 S422 L423 V428 L429 P564 I568Y421-A425 PolarHBondContact O-N 3.04Å; S422-A425 PolarHBondContact O-N 2.89Å; L423-A425 PolarHBondContact O-N 2.72Å; A425-V428 PolarHBondContact O-N 2.73Å; A425-L429 PolarHBondContact O-N 3.11Å; A425-L429 VanDerWaalsContact O-N 3.14Å; A425-P564 HydrophobicContact CB-CB 4.33Å; A425-I568 HydrophobicContact CB-CD1 4.24Å; A425-I568 HydrophobicContact CB-CG1 3.72Å
426V93.9Very high88.4Confident21 Ų2111.5 Ų11.513%0.1276%0.063CC..Hα-helixtrans-60.4-46.5170.5168.30000111S422 L423 V424 V428 L429 V430 I497 V501 I568S422-V426 WeakPolarHBondContact O-CG2 3.5Å; S422-V426 PolarHBondContact O-N 3.39Å; L423-V426 WeakPolarHBondContact O-CB 3.48Å; L423-V426 PolarHBondContact O-N 3.43Å; V424-V426 VanDerWaalsContact C-N 3.32Å; V424-V426 PolarHBondContact O-N 3.45Å; V426-V428 VanDerWaalsContact C-N 3.32Å; V426-V428 PolarHBondContact O-N 3.07Å; V426-L429 WeakPolarHBondContact O-CB 3.4Å; V426-L429 PolarHBondContact O-N 3.1Å; V426-L429 VanDerWaalsContact O-N 3.15Å; V426-V430 HydrophobicContact CG1-CG2 4.18Å; V426-V430 WeakPolarHBondContact O-CG2 3.49Å; V426-V430 PolarHBondContact O-N 3.03Å; V426-I497 HydrophobicContact CG1-CG2 3.98Å; V426-I497 HydrophobicContact CG2-CG2 4.15Å; V426-V501 HydrophobicContact CG2-CG2 4.08Å; V426-I568 HydrophobicContact CG2-CD1 3.57Å; V426-I568 HydrophobicContact CG2-CG1 4.2Å
427C91.1Very high87.1Confident0 Ų013.5 Ų13.50%08%0.083CC..Hα-helixtrans-58.8-41.8-179.9-63.70000111.6F87 T104 L423 V424 V430 L431F87-C427 HydrophobicContact CD2-CB 4.1Å; F87-C427 HydrophobicContact CE2-CB 3.68Å; T104-C427 HydrophobicContact CG2-CB 4.32Å; T104-C427 WeakPolarHBondContact OG1-CB 3.32Å; T104-C427 PolarHBondContact OG1-SG 2.79Å; L423-C427 PolarHBondContact O-N 2.94Å; L423-C427 PolarHBondContact O-SG 3.42Å; V424-C427 WeakPolarHBondContact O-CB 2.96Å; V424-C427 PolarHBondContact O-N 3.46Å; V424-C427 VanDerWaalsContact O-N 3.14Å; C427-V430 PolarHBondContact O-N 3.16Å; C427-L431 WeakPolarHBondContact O-CB 3.45Å; C427-L431 PolarHBondContact O-N 3.03Å
428V91.3Very high85.6Confident0 Ų016 Ų160%010%0.104CC..Hα-helixtrans-65.4-41.6176.6172.30000111.6C83 F87 V424 A425 V426 L431 R432 V557C83-V428 HydrophobicContact CB-CG2 3.96Å; C83-V428 WeakPolarHBondContact O-CG2 3.16Å; F87-V428 HydrophobicContact CB-CG2 4.24Å; F87-V428 HydrophobicContact CD2-CG2 3.95Å; V424-V428 PolarHBondContact O-N 2.95Å; A425-V428 PolarHBondContact O-N 2.73Å; V426-V428 VanDerWaalsContact C-N 3.32Å; V426-V428 PolarHBondContact O-N 3.07Å; V428-L431 PolarHBondContact O-N 3.3Å; V428-R432 VanDerWaalsContact O-CG 3.25Å; V428-R432 WeakPolarHBondContact O-CG 3.38Å; V428-R432 PolarHBondContact O-N 3.4Å; V428-R432 VanDerWaalsContact O-N 3.12Å; V428-V557 HydrophobicContact CG1-CG2 4.47Å
429L90.6Very high84.1Confident0 Ų017.3 Ų17.30%011%0.111CC..Hα-helixtrans-60.6-52.2174.3-75169.6000110.7A425 V426 L431 R432 Y433 I497 L560 P561 P564 I565 I568A425-L429 PolarHBondContact O-N 3.11Å; A425-L429 VanDerWaalsContact O-N 3.14Å; V426-L429 WeakPolarHBondContact O-CB 3.4Å; V426-L429 PolarHBondContact O-N 3.1Å; V426-L429 VanDerWaalsContact O-N 3.15Å; L429-L431 VanDerWaalsContact C-N 3.29Å; L429-L431 PolarHBondContact O-N 3.5Å; L429-R432 PolarHBondContact O-N 3.09Å; L429-R432 VanDerWaalsContact O-N 3.13Å; L429-Y433 VanDerWaalsContact O-CD2 3.29Å; L429-Y433 WeakPolarHBondContact O-CD2 3.49Å; L429-I497 HydrophobicContact CB-CD1 3.67Å; L429-I497 HydrophobicContact CB-CG1 4.48Å; L429-I497 HydrophobicContact CD1-CG1 4.49Å; L429-L560 HydrophobicContact CD2-CD2 4Å; L429-P561 HydrophobicContact CD2-CB 3.84Å; L429-P564 HydrophobicContact CD1-CB 3.86Å; L429-P564 HydrophobicContact CD2-CB 3.89Å; L429-P564 HydrophobicContact CD2-CG 4.05Å; L429-P564 HydrophobicContact CG-CB 3.59Å; L429-P564 HydrophobicContact CG-CG 4.16Å; L429-I565 HydrophobicContact CD1-CG1 3.97Å; L429-I568 HydrophobicContact CD1-CD1 3.95Å
430V89.2Confident82.4Confident7 Ų719.6 Ų19.64%0.04212%0.121CC..Hα-helixtrans-55-47.7178.4172.40000110.9V426 C427 R432 Y433 Q434 N494 I497V426-V430 HydrophobicContact CG1-CG2 4.18Å; V426-V430 WeakPolarHBondContact O-CG2 3.49Å; V426-V430 PolarHBondContact O-N 3.03Å; C427-V430 PolarHBondContact O-N 3.16Å; V430-R432 PolarHBondContact O-N 3.28Å; V430-Y433 PolarHBondContact O-N 3Å; V430-Q434 HydrophobicContact CG1-CG 4.25Å; V430-Q434 WeakPolarHBondContact O-CG 3.32Å; V430-Q434 PolarHBondContact O-N 3.19Å; V430-Q434 VanDerWaalsContact O-N 3.16Å; V430-N494 WeakPolarHBondContact CG1-OD1 3.48Å; V430-N494 WeakPolarHBondContact CG2-OD1 3.37Å; V430-I497 HydrophobicContact CG2-CD1 4.01Å
431L86.1Confident80.1Confident8 Ų827.9 Ų27.94%0.04215%0.152CC..Hα-helixtrans-64.5-24.5-177.3-168.172.1000113.8F87 T104 C427 V428 L429 L439F87-L431 HydrophobicContact CD2-CD2 4.03Å; F87-L431 HydrophobicContact CE2-CD2 3.75Å; F87-L431 HydrophobicContact CZ-CD2 4.11Å; T104-L431 HydrophobicContact CG2-CB 4.33Å; T104-L431 HydrophobicContact CG2-CD1 4.13Å; C427-L431 WeakPolarHBondContact O-CB 3.45Å; C427-L431 PolarHBondContact O-N 3.03Å; V428-L431 PolarHBondContact O-N 3.3Å; L429-L431 VanDerWaalsContact C-N 3.29Å; L429-L431 PolarHBondContact O-N 3.5Å; L431-L439 HydrophobicContact CD1-CD1 3.38Å; L431-L439 HydrophobicContact CD1-CD2 4.15Å; L431-L439 HydrophobicContact CD1-CG 4.39Å
432R86.6Confident77.1Confident11 Ų1135.7 Ų35.74%0.04219%0.188CC..Hα-helixtrans-77.8-22.8179.5-81.1-76.4-176.51676.3114E86 V428 L429 V430 Q548 T549 M556 L560E86-R432 IonicContact OE1-CZ 3.94Å; E86-R432 IonicContact OE1-NE 2.77Å; E86-R432 PolarHBondContact OE1-NE 3.14Å; E86-R432 IonicContact OE1-NH2 3.61Å; E86-R432 PolarHBondContact OE1-NH2 3.47Å; E86-R432 IonicContact OE2-CZ 3.06Å; E86-R432 IonicContact OE2-NE 2.78Å; E86-R432 IonicContact OE2-NH2 2.8Å; E86-R432 PolarHBondContact OE2-NH2 3.3Å; V428-R432 VanDerWaalsContact O-CG 3.25Å; V428-R432 WeakPolarHBondContact O-CG 3.38Å; V428-R432 PolarHBondContact O-N 3.4Å; V428-R432 VanDerWaalsContact O-N 3.12Å; L429-R432 PolarHBondContact O-N 3.09Å; L429-R432 VanDerWaalsContact O-N 3.13Å; V430-R432 PolarHBondContact O-N 3.28Å; R432-Q548 WeakPolarHBondContact O-CA 3.43Å; R432-T549 WeakPolarHBondContact O-CG2 3.28Å; R432-T549 PolarHBondContact O-N 3.12Å; R432-M556 PolarHBondContact NH1-SD 3.02Å; R432-M556 PolarHBondContact NH2-SD 3.14Å; R432-M556 VanDerWaalsContact NH2-SD 3.43Å; R432-L560 HydrophobicContact CB-CD2 4.5Å; R432-L560 HydrophobicContact CG-CD1 3.97Å; R432-L560 HydrophobicContact CG-CD2 3.97Å; R432-L560 VanDerWaalsContact NE-CD1 3.34Å
433Y85.3Confident74.1Confident1 Ų141 Ų410%0.00422%0.222CC..Hα-helixtrans-114.54.8-177.2-65-93000112.5L429 V430 S490 V493 I543 Q546 P547 Q548L429-Y433 VanDerWaalsContact O-CD2 3.29Å; L429-Y433 WeakPolarHBondContact O-CD2 3.49Å; V430-Y433 PolarHBondContact O-N 3Å; Y433-S490 WeakPolarHBondContact O-CB 3.41Å; Y433-V493 HydrophobicContact CD1-CG2 3.84Å; Y433-V493 HydrophobicContact CD2-CG1 3.88Å; Y433-V493 HydrophobicContact CE1-CG2 4.48Å; Y433-V493 HydrophobicContact CG-CB 4.35Å; Y433-V493 HydrophobicContact CG-CG1 3.88Å; Y433-V493 HydrophobicContact CG-CG2 3.87Å; Y433-I543 HydrophobicContact CE1-CG2 4.39Å; Y433-I543 VanDerWaalsContact CE1-O 3.27Å; Y433-I543 WeakPolarHBondContact CE1-O 3.27Å; Y433-I543 HydrophobicContact CE2-CG2 3.81Å; Y433-I543 WeakPolarHBondContact OH-CG2 3.43Å; Y433-I543 PolarHBondContact OH-O 3.39Å; Y433-I543 VanDerWaalsContact OH-O 3.08Å; Y433-Q546 HydrophobicContact CD1-CB 3.8Å; Y433-Q546 HydrophobicContact CE1-CB 3.91Å; Y433-Q546 WeakPolarHBondContact CE1-O 3.19Å; Y433-P547 WeakPolarHBondContact CD1-O 3.4Å; Y433-Q548 HydrophobicContact CD1-CG 4.35Å; Y433-Q548 HydrophobicContact CE1-CG 3.81Å
434Q80.9Confident71.2Confident14 Ų1443.6 Ų43.67%0.06526%0.255CS..SBendtrans-76.3148.2169.4-85.9-179.3-14.700111.6V430 S490V430-Q434 HydrophobicContact CG1-CG 4.25Å; V430-Q434 WeakPolarHBondContact O-CG 3.32Å; V430-Q434 PolarHBondContact O-N 3.19Å; V430-Q434 VanDerWaalsContact O-N 3.16Å; Q434-S490 WeakPolarHBondContact CG-OG 3.38Å
435P74.3Confident68.1Low25 Ų2550.2 Ų50.216%0.16228%0.284CS..PPolyproline II helixtrans-65.8147.7176.825.2-30.5000112.4G437 A438 E487P435-G437 PolarHBondContact O-N 2.8Å; P435-A438 PolarHBondContact O-N 3.38Å; P435-E487 VanDerWaalsContact CG-OE1 3.25Å; P435-E487 WeakPolarHBondContact CG-OE1 3.43Å
436D65.3Low65.2Low78 Ų7853.3 Ų53.342%0.41732%0.315SS..THydrogen-bonded Turntrans-63.5117179.6-69.2-30.7000109.9T549 T550D436-T549 PolarHBondContact OD1-OG1 3.47Å; D436-T550 PolarHBondContact OD2-OG1 3.02Å
437G59.7Low62.3Low42 Ų4261.2 Ų61.243%0.43335%0.351SS..THydrogen-bonded Turntrans116.1-11.6179.800000115.7P435 L439 E440P435-G437 PolarHBondContact O-N 2.8Å; G437-L439 PolarHBondContact O-N 3.19Å; G437-E440 PolarHBondContact O-N 2.8Å
438A59.7Low59.3Low53 Ų5370.1 Ų70.144%0.43839%0.389SS..THydrogen-bonded Turntrans-58.9-23-179.800000114.6P435P435-A438 PolarHBondContact O-N 3.38Å
439L59.2Low56.3Low29 Ų2973.4 Ų73.415%0.15241%0.407CS..THydrogen-bonded Turntrans-93.1-17.2177-80.891.1000114.2V91 V103 L431 G437V91-L439 HydrophobicContact CG2-CD2 3.92Å; V103-L439 HydrophobicContact CG1-CD2 3.45Å; V103-L439 VanDerWaalsContact CG1-CD2 3.45Å; V103-L439 HydrophobicContact CG1-CG 3.65Å; L431-L439 HydrophobicContact CD1-CD1 3.38Å; L431-L439 HydrophobicContact CD1-CD2 4.15Å; L431-L439 HydrophobicContact CD1-CG 4.39Å; G437-L439 PolarHBondContact O-N 3.19Å
440E56.7Low53.6Low92 Ų9276.2 Ų76.243%0.4343%0.426SS..  trans-107.2126.3-167.8-74.7175.5-173.600111.5G437 K551G437-E440 PolarHBondContact O-N 2.8Å; E440-K551 IonicContact OE1-NZ 2.73Å; E440-K551 PolarHBondContact OE1-NZ 2.76Å
441R43.5Very low50.7Low173 Ų17382.7 Ų82.765%0.65346%0.46SS*.  trans-81.5114.2168.3-158.5176.1-168.8161.55.6108.4V17 P443V17-R441 HydrophobicContact CG1-CB 4.2Å; R441-P443 WeakPolarHBondContact O-CD 3.29Å
442Q30.5Very low48.1Very low164 Ų16484.7 Ų84.777%0.76648%0.477SS*.  trans-75125.1173.4-76.7-162.2-4.600111.1
443P31.6Very low45.4Very low120 Ų12087.2 Ų87.278%0.77950%0.496SS*.SBendtrans-82.4118.9171.431.4-27000109.1R441R441-P443 WeakPolarHBondContact O-CD 3.29Å
444G31Very low42.9Very low77 Ų7791.3 Ų91.379%0.79452%0.516SS*.SBendtrans131.89.3163.900000119.6
445K30.1Very low40.4Very low140 Ų14097.3 Ų97.361%0.60954%0.544SS*.  trans-116.263.2169.5-86.2-177.4176.1175.70111.5E447K445-E447 VanDerWaalsContact C-N 3.31Å; K445-E447 PolarHBondContact O-N 3.25Å
446G32.8Very low38.4Very low64 Ų6499.6 Ų99.666%0.6656%0.56SS**THydrogen-bonded Turntrans-72.6-6.3-17600000116.7
447E33.6Very low36.9Very low187 Ų187101.3 Ų101.387%0.87457%0.566SS**THydrogen-bonded Turntrans-133.8-15.4-173.1-79179.9137.100116.3K445K445-E447 VanDerWaalsContact C-N 3.31Å; K445-E447 PolarHBondContact O-N 3.25Å
448K27.9Very low35.7Very low187 Ų187103.3 Ų103.381%0.81357%0.566SS**THydrogen-bonded Turntrans-106.3-13.9-178.9-81.1-175.5176.5177.80115.2
449N28.1Very low34.4Very low70 Ų70104.6 Ų104.637%0.37457%0.569SS.*SBendtrans-99.9-8.8-178.3-75.28.9000113.4L451 A452 S453N449-L451 VanDerWaalsContact C-N 3.27Å; N449-L451 PolarHBondContact O-N 3.33Å; N449-A452 CarbonylContact O-C 3.6Å; N449-A452 PolarHBondContact O-N 2.97Å; N449-S453 VanDerWaalsContact O-CB 3.32Å; N449-S453 WeakPolarHBondContact O-CB 3.36Å; N449-S453 PolarHBondContact O-N 3.01Å; N449-S453 PolarHBondContact O-OG 2.82Å; N449-S453 VanDerWaalsContact O-OG 3.09Å
450C33.2Very low33.6Very low59 Ų59107 Ų10740%0.39958%0.579SS.*Hα-helixtrans-66.3-27.6-177.6-61.40000113.4
451L29.1Very low32.7Very low143 Ų143103.9 Ų103.975%0.74957%0.567SS**Hα-helixtrans-77.1-28.6170.5-76162.1000112.7N449 E455N449-L451 VanDerWaalsContact C-N 3.27Å; N449-L451 PolarHBondContact O-N 3.33Å; L451-E455 PolarHBondContact O-N 3.38Å
452A30.1Very low32.3Very low49 Ų49100.8 Ų100.841%0.40556%0.56SS.*Hα-helixtrans-89.3-25-179.400000113.3N449 S456N449-A452 CarbonylContact O-C 3.6Å; N449-A452 PolarHBondContact O-N 2.97Å; A452-S456 WeakPolarHBondContact O-CB 3.26Å; A452-S456 PolarHBondContact O-N 2.9Å
453S31Very low32.7Very low64 Ų6495.7 Ų95.745%0.44854%0.543SS..Hα-helixtrans-79.2-34.2177.6-67.40000111.7N449 S456 E457N449-S453 VanDerWaalsContact O-CB 3.32Å; N449-S453 WeakPolarHBondContact O-CB 3.36Å; N449-S453 PolarHBondContact O-N 3.01Å; N449-S453 PolarHBondContact O-OG 2.82Å; N449-S453 VanDerWaalsContact O-OG 3.09Å; S453-S456 PolarHBondContact O-N 3.45Å; S453-E457 PolarHBondContact O-N 3.29Å
454E32.5Very low33.1Very low88 Ų8894.5 Ų94.541%0.41153%0.527SS..Hα-helixtrans-65.2-44.9166-82.3-173.1155.500110.5S456 L458 N618E454-S456 PolarHBondContact O-N 3.3Å; E454-L458 HydrophobicContact CB-CD1 4.22Å; E454-L458 WeakPolarHBondContact O-CB 3.5Å; E454-L458 WeakPolarHBondContact O-CD1 3.2Å; E454-L458 WeakPolarHBondContact O-CG 3.45Å; E454-L458 PolarHBondContact O-N 2.73Å; E454-N618 PolarHBondContact OE1-ND2 3.49Å; E454-N618 PolarHBondContact OE2-ND2 2.96Å
455E28.4Very low33.4Very low139 Ų13995.1 Ų95.165%0.6551%0.511SS*.Hα-helixtrans-63.5-35.6174-81.9-175155.900113.2L451 T459L451-E455 PolarHBondContact O-N 3.38Å; E455-T459 VanDerWaalsContact O-CB 3.23Å; E455-T459 WeakPolarHBondContact O-CB 3.35Å; E455-T459 WeakPolarHBondContact O-CG2 3.48Å; E455-T459 PolarHBondContact O-N 2.75Å; E455-T459 PolarHBondContact O-OG1 3.08Å
456S32.4Very low33.8Very low74 Ų7493.5 Ų93.552%0.51751%0.509SS..Hα-helixtrans-75-35.9-179.1-167.10000113.5A452 S453 E454 T459 E460A452-S456 WeakPolarHBondContact O-CB 3.26Å; A452-S456 PolarHBondContact O-N 2.9Å; S453-S456 PolarHBondContact O-N 3.45Å; E454-S456 PolarHBondContact O-N 3.3Å; S456-T459 WeakPolarHBondContact CA-OG1 3.44Å; S456-T459 PolarHBondContact O-OG1 3.11Å; S456-T459 VanDerWaalsContact O-OG1 3.1Å; S456-E460 PolarHBondContact O-N 3.18Å
457E34.7Very low34.1Very low114 Ų11493.5 Ų93.553%0.53349%0.493SS..Hα-helixtrans-85.1-28.9174.7-72.6-168.2169.700112.8S453 T459 H611S453-E457 PolarHBondContact O-N 3.29Å; E457-T459 VanDerWaalsContact C-N 3.31Å; E457-H611 IonicContact OE1-CE1 3.95Å; E457-H611 IonicContact OE2-CE1 3.37Å; E457-H611 PolarHBondContact OE2-CE1 2.97Å; E457-H611 IonicContact OE2-ND1 3.95Å
458L33.5Very low34.6Very low83 Ų8392.3 Ų92.344%0.43549%0.492SS..Hα-helixtrans-64.6-37.8168.7-75.9161.6000110.5E454 E462E454-L458 HydrophobicContact CB-CD1 4.22Å; E454-L458 WeakPolarHBondContact O-CB 3.5Å; E454-L458 WeakPolarHBondContact O-CD1 3.2Å; E454-L458 WeakPolarHBondContact O-CG 3.45Å; E454-L458 PolarHBondContact O-N 2.73Å; L458-E462 VanDerWaalsContact O-CB 3.3Å; L458-E462 WeakPolarHBondContact O-CB 3.28Å; L458-E462 WeakPolarHBondContact O-CG 3.45Å; L458-E462 PolarHBondContact O-N 3.4Å
459T33.3Very low35.1Very low80 Ų8090.9 Ų90.949%0.49149%0.493SS..Hα-helixtrans-77.5-32.9179.3490000114.3E455 S456 E457 S461 S463E455-T459 VanDerWaalsContact O-CB 3.23Å; E455-T459 WeakPolarHBondContact O-CB 3.35Å; E455-T459 WeakPolarHBondContact O-CG2 3.48Å; E455-T459 PolarHBondContact O-N 2.75Å; E455-T459 PolarHBondContact O-OG1 3.08Å; S456-T459 WeakPolarHBondContact CA-OG1 3.44Å; S456-T459 PolarHBondContact O-OG1 3.11Å; S456-T459 VanDerWaalsContact O-OG1 3.1Å; E457-T459 VanDerWaalsContact C-N 3.31Å; T459-S461 PolarHBondContact O-N 3.1Å; T459-S463 WeakPolarHBondContact O-CA 3.25Å; T459-S463 WeakPolarHBondContact O-CB 3.17Å; T459-S463 PolarHBondContact O-N 3.28Å; T459-S463 PolarHBondContact O-OG 3.08Å
460E42.2Very low35.7Very low79 Ų7989.1 Ų89.137%0.36949%0.491SS..Hα-helixtrans-68.1-37.8-177.8-141.1-169.8162.500112R15 S456 S463 H464R15-E460 IonicContact NH1-OE1 2.72Å; R15-E460 PolarHBondContact NH1-OE1 3.44Å; R15-E460 VanDerWaalsContact NH1-OE1 3.14Å; S456-E460 PolarHBondContact O-N 3.18Å; E460-S463 PolarHBondContact O-OG 3.17Å; E460-H464 PolarHBondContact O-CD2 2.73Å; E460-H464 VanDerWaalsContact O-CD2 3.32Å
461S38Very low36.4Very low27 Ų2788.7 Ų88.719%0.18950%0.497CS..Hα-helixtrans-89.5-26.2180-174.70000113.9R10 T459R10-S461 VanDerWaalsContact NE-CB 3.25Å; R10-S461 PolarHBondContact NE-OG 2.96Å; R10-S461 PolarHBondContact NH2-OG 2.96Å; T459-S461 PolarHBondContact O-N 3.1Å
462E33.6Very low37.3Very low108 Ų10888.9 Ų88.951%0.50550%0.499SS..Hα-helixtrans-77.2-26.4167.4-73.5-169.9153.500112.6L458 L465 N466L458-E462 VanDerWaalsContact O-CB 3.3Å; L458-E462 WeakPolarHBondContact O-CB 3.28Å; L458-E462 WeakPolarHBondContact O-CG 3.45Å; L458-E462 PolarHBondContact O-N 3.4Å; E462-L465 PolarHBondContact O-N 2.77Å; E462-N466 VanDerWaalsContact O-CB 3.3Å; E462-N466 WeakPolarHBondContact O-CB 3.22Å; E462-N466 PolarHBondContact O-N 2.92Å; E462-N466 PolarHBondContact O-ND2 3.13Å
463S40.5Very low38.3Very low57 Ų5789.3 Ų89.340%0.39950%0.499SS..Hα-helixtrans-67.7-36.1176.3660000112.7T459 E460 L465 M467T459-S463 WeakPolarHBondContact O-CA 3.25Å; T459-S463 WeakPolarHBondContact O-CB 3.17Å; T459-S463 PolarHBondContact O-N 3.28Å; T459-S463 PolarHBondContact O-OG 3.08Å; E460-S463 PolarHBondContact O-OG 3.17Å; S463-L465 VanDerWaalsContact C-N 3.27Å; S463-L465 PolarHBondContact O-N 3.43Å; S463-M467 WeakPolarHBondContact O-CA 3.42Å; S463-M467 VanDerWaalsContact O-CB 3.28Å; S463-M467 WeakPolarHBondContact O-CB 3.27Å; S463-M467 PolarHBondContact O-N 3.33Å
464H39Very low39.4Very low96 Ų9689.5 Ų89.544%0.44449%0.494SS..Hα-helixtrans-66.5-23173.2-86.6-108.6000113.6E460 M467E460-H464 PolarHBondContact O-CD2 2.73Å; E460-H464 VanDerWaalsContact O-CD2 3.32Å; H464-M467 WeakPolarHBondContact O-CB 3.25Å
465L37.2Very low40.4Very low89 Ų8990.5 Ų90.547%0.46650%0.502SS..Hα-helixtrans-95.1-35.1175.2-104.1122.6000113V6 E462 S463 M467V6-L465 HydrophobicContact CB-CD1 4.36Å; V6-L465 HydrophobicContact CG1-CD1 3.9Å; V6-L465 HydrophobicContact CG2-CD1 3.57Å; V6-L465 HydrophobicContact CG2-CD2 4.09Å; E462-L465 PolarHBondContact O-N 2.77Å; S463-L465 VanDerWaalsContact C-N 3.27Å; S463-L465 PolarHBondContact O-N 3.43Å; L465-M467 PolarHBondContact O-N 3.19Å
466N38.5Very low41.7Very low106 Ų10690.5 Ų90.557%0.56750%0.502SS*.Hα-helixtrans-70.6-12168-71.9-25.8000112.2E462 L468 N469E462-N466 VanDerWaalsContact O-CB 3.3Å; E462-N466 WeakPolarHBondContact O-CB 3.22Å; E462-N466 PolarHBondContact O-N 2.92Å; E462-N466 PolarHBondContact O-ND2 3.13Å; N466-L468 PolarHBondContact O-N 3.33Å; N466-N469 PolarHBondContact O-N 2.92Å
467M40.1Very low42.7Very low64 Ų6488 Ų8832%0.31549%0.485SS..THydrogen-bonded Turntrans-53.6-32.5175.8-163.8173.270.800113.9S463 H464 L465 N469 M495S463-M467 WeakPolarHBondContact O-CA 3.42Å; S463-M467 VanDerWaalsContact O-CB 3.28Å; S463-M467 WeakPolarHBondContact O-CB 3.27Å; S463-M467 PolarHBondContact O-N 3.33Å; H464-M467 WeakPolarHBondContact O-CB 3.25Å; L465-M467 PolarHBondContact O-N 3.19Å; M467-N469 VanDerWaalsContact C-N 3.29Å; M467-N469 PolarHBondContact O-N 2.94Å; M467-M495 HydrophobicContact CE-CE 3.79Å; M467-M495 HydrophobicContact CG-CE 4.38Å; M467-M495 HydrophobicContact CG-SD 4.39Å; M467-M495 HydrophobicContact SD-CE 3.63Å; M467-M495 HydrophobicContact SD-SD 3.64Å; M467-M495 VanDerWaalsContact SD-SD 3.64Å
468L42.4Very low43.9Very low163 Ų16383.8 Ų83.885%0.85347%0.468SS*.THydrogen-bonded Turntrans-77.8-13.4178.6-83.3157.8000113.3N466N466-L468 PolarHBondContact O-N 3.33Å
469N39.3Very low45Very low156 Ų15684.5 Ų84.583%0.83447%0.471SS*.SBendtrans-111.20.3-172-135.711.6000113.6N466 M467N466-N469 PolarHBondContact O-N 2.92Å; M467-N469 VanDerWaalsContact C-N 3.29Å; M467-N469 PolarHBondContact O-N 2.94Å
470G40.9Very low46.1Very low33 Ų3387.4 Ų87.434%0.3448%0.479SS..  trans-126.848.1-168.100000116N472 S473G470-N472 VanDerWaalsContact C-N 3.3Å; G470-N472 PolarHBondContact O-N 2.85Å; G470-S473 PolarHBondContact O-N 3.32Å
471G47Very low47Very low50 Ų5086 Ų8652%0.51548%0.477SS..Hα-helixtrans-59-28.8-17500000116.3
472N48.2Very low48.1Very low147 Ų14787.4 Ų87.479%0.78649%0.485SS*.Hα-helixtrans-74.1-27.8-175.5-81.88.3000114.3G470G470-N472 VanDerWaalsContact C-N 3.3Å; G470-N472 PolarHBondContact O-N 2.85Å
473S51Low49.2Very low59 Ų5990.7 Ų90.741%0.41351%0.505SS..Hα-helixtrans-75.3-28.1-179.8172.40000113G470 A477G470-S473 PolarHBondContact O-N 3.32Å; S473-A477 PolarHBondContact O-N 3.48Å
474I55.1Low50.2Low68 Ų6893.2 Ų93.235%0.34951%0.514SS..Hα-helixtrans-76.8-43.5-176.5-61.6173.5000109.8Q476 A477 V478I474-Q476 VanDerWaalsContact C-N 3.29Å; I474-Q476 PolarHBondContact O-N 2.92Å; I474-A477 PolarHBondContact O-N 3.15Å; I474-V478 HydrophobicContact CG2-CG2 4.39Å; I474-V478 WeakPolarHBondContact O-CG2 3.43Å; I474-V478 PolarHBondContact O-N 3.36Å
475L53.5Low51.5Low108 Ų10889.4 Ų89.457%0.56550%0.497SS*.Hα-helixtrans-60.1-36176.2-101156.6000113V478 L479L475-V478 WeakPolarHBondContact O-CB 3.37Å; L475-V478 PolarHBondContact O-N 2.85Å; L475-L479 HydrophobicContact CD2-CD1 4.31Å; L475-L479 PolarHBondContact O-N 3.12Å
476Q54.3Low53.2Low140 Ų14087.2 Ų87.265%0.65449%0.49SS*.Hα-helixtrans-72.1-38178.7-164.1171.1-0.800112.5I474 V478 L479 H480I474-Q476 VanDerWaalsContact C-N 3.29Å; I474-Q476 PolarHBondContact O-N 2.92Å; Q476-V478 VanDerWaalsContact C-N 3.29Å; Q476-V478 PolarHBondContact O-N 3.39Å; Q476-L479 PolarHBondContact O-N 3.37Å; Q476-H480 PolarHBondContact O-N 2.98Å
477A54.4Low54.9Low20 Ų2087.3 Ų87.317%0.16549%0.486CS..Hα-helixtrans-69.6-25.817300000113S473 I474S473-A477 PolarHBondContact O-N 3.48Å; I474-A477 PolarHBondContact O-N 3.15Å
478V58.9Low56.5Low27 Ų2790.9 Ų90.916%0.16450%0.5CS..Hα-helixtrans-72.6-42.9172.2169.30000111.5I474 L475 Q476 M542I474-V478 HydrophobicContact CG2-CG2 4.39Å; I474-V478 WeakPolarHBondContact O-CG2 3.43Å; I474-V478 PolarHBondContact O-N 3.36Å; L475-V478 WeakPolarHBondContact O-CB 3.37Å; L475-V478 PolarHBondContact O-N 2.85Å; Q476-V478 VanDerWaalsContact C-N 3.29Å; Q476-V478 PolarHBondContact O-N 3.39Å; V478-M542 HydrophobicContact CB-CE 4.08Å; V478-M542 HydrophobicContact CB-SD 4.22Å; V478-M542 HydrophobicContact CG1-CE 3.94Å; V478-M542 HydrophobicContact CG1-SD 3.42Å; V478-M542 WeakPolarHBondContact CG1-SD 3.04Å; V478-M542 HydrophobicContact CG2-CE 3.47Å; V478-M542 VanDerWaalsContact CG2-CE 3.47Å; V478-M542 HydrophobicContact CG2-SD 3.99Å
479L57.1Low58.1Low98 Ų9883.2 Ų83.251%0.51346%0.461SS..Hα-helixtrans-75.6-38.9-177.5-104.382.5000113L475 Q476 R545L475-L479 HydrophobicContact CD2-CD1 4.31Å; L475-L479 PolarHBondContact O-N 3.12Å; Q476-L479 PolarHBondContact O-N 3.37Å; L479-R545 PolarHBondContact O-NH2 3.44Å
480H57.6Low60.1Low141 Ų14176 Ų7665%0.65342%0.422SS*.SBendtrans-127.789.5-176.3-67.2-89.1000111.6Q476Q476-H480 PolarHBondContact O-N 2.98Å
481P60.5Low61.9Low49 Ų4976.1 Ų76.132%0.31842%0.418SS..  trans-70.1140.2178.826.4-31.6000111.5
482P60.8Low63.8Low57 Ų5774.4 Ų74.437%0.3740%0.398SS..  trans-68.6156.817227.9-32.1000111.7L484 P547P482-L484 VanDerWaalsContact C-N 3.25Å; P482-L484 PolarHBondContact O-N 3.23Å; P482-P547 WeakPolarHBondContact O-CG 3.37Å
483L57.3Low65.6Low177 Ų17767.4 Ų67.493%0.92736%0.36SS*.SBendtrans-67.9-20.4179.9-105.2112.2000114.2
484L60.9Low67.3Low110 Ų11066.7 Ų66.758%0.57635%0.351SS*.SBendtrans-126.4151.2-180-81.9119.2000110.8P482 S486P482-L484 VanDerWaalsContact C-N 3.25Å; P482-L484 PolarHBondContact O-N 3.23Å; L484-S486 PolarHBondContact O-N 3Å
485P66.3Low68.9Low15 Ų1567.3 Ų67.310%0.09735%0.354CS..  trans-59.2127.9174.525.2-32.8000110.1
486S73.8Confident70.7Confident44 Ų4462.8 Ų62.831%0.30833%0.332SS..  trans-125.6159.8177.362.40000109.6L484 K488 S489 S490L484-S486 PolarHBondContact O-N 3Å; S486-K488 PolarHBondContact O-N 3.45Å; S486-K488 VanDerWaalsContact O-N 3.16Å; S486-S489 WeakPolarHBondContact O-CA 3.06Å; S486-S489 WeakPolarHBondContact O-CB 3.07Å; S486-S489 PolarHBondContact O-N 2.96Å; S486-S489 PolarHBondContact OG-N 2.78Å; S486-S490 PolarHBondContact O-N 3.14Å
487E73Confident72.5Confident107 Ų10756.4 Ų56.450%0.530%0.302SS..Hα-helixtrans-50.8-40.6177.4-70.5-60.2151.300112.8P435 S489 S490 S491P435-E487 VanDerWaalsContact CG-OE1 3.25Å; P435-E487 WeakPolarHBondContact CG-OE1 3.43Å; E487-S489 PolarHBondContact O-N 3.29Å; E487-S490 PolarHBondContact O-N 3.47Å; E487-S491 WeakPolarHBondContact O-CB 3.45Å; E487-S491 PolarHBondContact O-N 3.19Å
488K73.4Confident74.3Confident139 Ų13957 Ų5760%0.60431%0.31SS*.Hα-helixtrans-66.1-39.5177.4-61.9-171.5-179.6-174.60112.6S486 V492S486-K488 PolarHBondContact O-N 3.45Å; S486-K488 VanDerWaalsContact O-N 3.16Å; K488-V492 VanDerWaalsContact O-CG2 3.23Å; K488-V492 WeakPolarHBondContact O-CG2 3.17Å; K488-V492 PolarHBondContact O-N 3.32Å; K488-V492 VanDerWaalsContact O-N 3.14Å
489S77.7Confident76Confident3 Ų358.8 Ų58.82%0.02132%0.321CS..Hα-helixtrans-67-45176.5176.60000111.1S486 E487 S491 V492 V493 Q546 P547S486-S489 WeakPolarHBondContact O-CA 3.06Å; S486-S489 WeakPolarHBondContact O-CB 3.07Å; S486-S489 PolarHBondContact O-N 2.96Å; S486-S489 PolarHBondContact OG-N 2.78Å; E487-S489 PolarHBondContact O-N 3.29Å; S489-S491 VanDerWaalsContact C-N 3.34Å; S489-S491 PolarHBondContact O-N 3.02Å; S489-V492 PolarHBondContact O-N 3.25Å; S489-V493 WeakPolarHBondContact O-CG2 3.11Å; S489-V493 PolarHBondContact O-N 2.86Å; S489-V493 VanDerWaalsContact O-N 3.08Å; S489-Q546 PolarHBondContact OG-OE1 2.95Å; S489-P547 WeakPolarHBondContact OG-CD 3.43Å
490S80.3Confident77.8Confident3 Ų354.2 Ų54.22%0.02130%0.297CS..Hα-helixtrans-60.5-42.4175.9-170.40000111.8Y433 Q434 S486 E487 V492 V493 N494Y433-S490 WeakPolarHBondContact O-CB 3.41Å; Q434-S490 WeakPolarHBondContact CG-OG 3.38Å; S486-S490 PolarHBondContact O-N 3.14Å; E487-S490 PolarHBondContact O-N 3.47Å; S490-V492 PolarHBondContact O-N 3.2Å; S490-V493 PolarHBondContact O-N 3.08Å; S490-N494 PolarHBondContact O-N 3.08Å; S490-N494 PolarHBondContact O-ND2 3.46Å
491S79.4Confident79.6Confident37 Ų3749.4 Ų49.426%0.25928%0.278SS..Hα-helixtrans-61.1-43.2176.3-173.90000112.7E487 S489 V493 N494 M495E487-S491 WeakPolarHBondContact O-CB 3.45Å; E487-S491 PolarHBondContact O-N 3.19Å; S489-S491 VanDerWaalsContact C-N 3.34Å; S489-S491 PolarHBondContact O-N 3.02Å; S491-V493 VanDerWaalsContact C-N 3.31Å; S491-V493 PolarHBondContact O-N 3.07Å; S491-N494 PolarHBondContact O-N 3.46Å; S491-M495 WeakPolarHBondContact O-CG 3.39Å; S491-M495 PolarHBondContact O-N 3.22Å
492V85.4Confident81.3Confident14 Ų1452.4 Ų52.49%0.08529%0.29CS..Hα-helixtrans-61.7-41.6177.1171.30000110.6K488 S489 S490 S496 M542K488-V492 VanDerWaalsContact O-CG2 3.23Å; K488-V492 WeakPolarHBondContact O-CG2 3.17Å; K488-V492 PolarHBondContact O-N 3.32Å; K488-V492 VanDerWaalsContact O-N 3.14Å; S489-V492 PolarHBondContact O-N 3.25Å; S490-V492 PolarHBondContact O-N 3.2Å; V492-S496 WeakPolarHBondContact O-CB 3.44Å; V492-S496 PolarHBondContact O-N 2.93Å; V492-S496 PolarHBondContact O-OG 3.5Å; V492-M542 HydrophobicContact CG1-CE 3.35Å
493V87.1Confident82.9Confident0 Ų050.3 Ų50.30%028%0.276CS..Hα-helixtrans-64.5-46.3175.8173.70000111Y433 S489 S490 S491 M495 S496 I497 Q546Y433-V493 HydrophobicContact CD1-CG2 3.84Å; Y433-V493 HydrophobicContact CD2-CG1 3.88Å; Y433-V493 HydrophobicContact CE1-CG2 4.48Å; Y433-V493 HydrophobicContact CG-CB 4.35Å; Y433-V493 HydrophobicContact CG-CG1 3.88Å; Y433-V493 HydrophobicContact CG-CG2 3.87Å; S489-V493 WeakPolarHBondContact O-CG2 3.11Å; S489-V493 PolarHBondContact O-N 2.86Å; S489-V493 VanDerWaalsContact O-N 3.08Å; S490-V493 PolarHBondContact O-N 3.08Å; S491-V493 VanDerWaalsContact C-N 3.31Å; S491-V493 PolarHBondContact O-N 3.07Å; V493-M495 VanDerWaalsContact C-N 3.34Å; V493-M495 PolarHBondContact O-N 3.22Å; V493-S496 WeakPolarHBondContact O-CB 3.41Å; V493-S496 PolarHBondContact O-N 2.97Å; V493-S496 VanDerWaalsContact O-N 3.14Å; V493-I497 HydrophobicContact CG1-CD1 3.6Å; V493-I497 HydrophobicContact CG1-CG1 4.21Å; V493-I497 VanDerWaalsContact O-CG1 3.26Å; V493-I497 WeakPolarHBondContact O-CG1 3.31Å; V493-I497 PolarHBondContact O-N 3.37Å; V493-Q546 HydrophobicContact CG2-CB 3.69Å; V493-Q546 HydrophobicContact CG2-CG 3.63Å
494N87.3Confident84.8Confident43 Ų4341.9 Ų41.923%0.2323%0.232CC..Hα-helixtrans-60-42.9178.8-67.5-21000112.1V430 S490 S491 I497 G498V430-N494 WeakPolarHBondContact CG1-OD1 3.48Å; V430-N494 WeakPolarHBondContact CG2-OD1 3.37Å; S490-N494 PolarHBondContact O-N 3.08Å; S490-N494 PolarHBondContact O-ND2 3.46Å; S491-N494 PolarHBondContact O-N 3.46Å; N494-I497 PolarHBondContact O-N 3.36Å; N494-G498 PolarHBondContact O-N 3.41Å
495M88.6Confident86.4Confident81 Ų8139.3 Ų39.340%0.39922%0.222SC..Hα-helixtrans-64.4-43.6174.1-69.3-17084.500111.8M467 S491 V493 I497 G498 V499M467-M495 HydrophobicContact CE-CE 3.79Å; M467-M495 HydrophobicContact CG-CE 4.38Å; M467-M495 HydrophobicContact CG-SD 4.39Å; M467-M495 HydrophobicContact SD-CE 3.63Å; M467-M495 HydrophobicContact SD-SD 3.64Å; M467-M495 VanDerWaalsContact SD-SD 3.64Å; S491-M495 WeakPolarHBondContact O-CG 3.39Å; S491-M495 PolarHBondContact O-N 3.22Å; V493-M495 VanDerWaalsContact C-N 3.34Å; V493-M495 PolarHBondContact O-N 3.22Å; M495-I497 VanDerWaalsContact C-N 3.32Å; M495-I497 PolarHBondContact O-N 2.66Å; M495-G498 PolarHBondContact O-N 3.3Å; M495-V499 WeakPolarHBondContact O-CG2 3.25Å; M495-V499 PolarHBondContact O-N 3.43Å
496S90.8Very high87.7Confident14 Ų1441.3 Ų41.310%0.09823%0.234CC..Hα-helixtrans-62.3-39.6178.4-57.40000111.6V492 V493 L500V492-S496 WeakPolarHBondContact O-CB 3.44Å; V492-S496 PolarHBondContact O-N 2.93Å; V492-S496 PolarHBondContact O-OG 3.5Å; V493-S496 WeakPolarHBondContact O-CB 3.41Å; V493-S496 PolarHBondContact O-N 2.97Å; V493-S496 VanDerWaalsContact O-N 3.14Å; S496-L500 WeakPolarHBondContact O-CB 3.23Å; S496-L500 PolarHBondContact O-N 3.07Å
497I92.1Very high88.7Confident5 Ų539.8 Ų39.83%0.02622%0.222CC..Hα-helixtrans-65-44174.3-66.7164000110.6V426 L429 V430 V493 N494 M495 V499 L500 V501 I543V426-I497 HydrophobicContact CG1-CG2 3.98Å; V426-I497 HydrophobicContact CG2-CG2 4.15Å; L429-I497 HydrophobicContact CB-CD1 3.67Å; L429-I497 HydrophobicContact CB-CG1 4.48Å; L429-I497 HydrophobicContact CD1-CG1 4.49Å; V430-I497 HydrophobicContact CG2-CD1 4.01Å; V493-I497 HydrophobicContact CG1-CD1 3.6Å; V493-I497 HydrophobicContact CG1-CG1 4.21Å; V493-I497 VanDerWaalsContact O-CG1 3.26Å; V493-I497 WeakPolarHBondContact O-CG1 3.31Å; V493-I497 PolarHBondContact O-N 3.37Å; N494-I497 PolarHBondContact O-N 3.36Å; M495-I497 VanDerWaalsContact C-N 3.32Å; M495-I497 PolarHBondContact O-N 2.66Å; I497-V499 PolarHBondContact O-N 2.85Å; I497-L500 WeakPolarHBondContact O-CB 3.49Å; I497-L500 PolarHBondContact O-N 3.23Å; I497-V501 HydrophobicContact CG2-CG2 4.39Å; I497-V501 WeakPolarHBondContact O-CG2 3.23Å; I497-V501 PolarHBondContact O-N 2.89Å; I497-I543 HydrophobicContact CG1-CD1 4.01Å
498G92.2Very high89.7Confident34 Ų3434.7 Ų34.735%0.35120%0.198SC..Hα-helixtrans-58.5-47.1176.800000112.6N494 M495 V501 I502N494-G498 PolarHBondContact O-N 3.41Å; M495-G498 PolarHBondContact O-N 3.3Å; G498-V501 PolarHBondContact O-N 3.25Å; G498-I502 WeakPolarHBondContact O-CG1 3.49Å; G498-I502 PolarHBondContact O-N 3.41Å
499V94.6Very high90.6Very high64 Ų6433.7 Ų33.739%0.38819%0.192SC..Hα-helixtrans-63.1-42.9174.7176.10000110.9M495 I497 V501 I502 V503 I535M495-V499 WeakPolarHBondContact O-CG2 3.25Å; M495-V499 PolarHBondContact O-N 3.43Å; I497-V499 PolarHBondContact O-N 2.85Å; V499-V501 PolarHBondContact O-N 2.82Å; V499-I502 PolarHBondContact O-N 2.91Å; V499-V503 HydrophobicContact CG1-CG2 4.21Å; V499-V503 VanDerWaalsContact O-CG2 3.3Å; V499-V503 WeakPolarHBondContact O-CG2 3.48Å; V499-V503 PolarHBondContact O-N 3.1Å; V499-I535 HydrophobicContact CG1-CG2 3.85Å
500L95.4Very high91.3Very high1 Ų134 Ų341%0.00519%0.193CC..Hα-helixtrans-59.3-45.2178.4-178.5144.1000111.9S496 I497 I502 V503 V504 F536 C539 V540 I543 I565S496-L500 WeakPolarHBondContact O-CB 3.23Å; S496-L500 PolarHBondContact O-N 3.07Å; I497-L500 WeakPolarHBondContact O-CB 3.49Å; I497-L500 PolarHBondContact O-N 3.23Å; L500-I502 VanDerWaalsContact C-N 3.35Å; L500-I502 PolarHBondContact O-N 3.11Å; L500-V503 PolarHBondContact O-N 3.27Å; L500-V504 HydrophobicContact CD2-CG2 4.17Å; L500-V504 WeakPolarHBondContact O-CB 3.43Å; L500-V504 VanDerWaalsContact O-CG2 3.23Å; L500-V504 WeakPolarHBondContact O-CG2 3.08Å; L500-V504 PolarHBondContact O-N 2.98Å; L500-F536 HydrophobicContact CD1-CD2 4.28Å; L500-F536 HydrophobicContact CD1-CE2 4.03Å; L500-F536 HydrophobicContact CD2-CE2 4.5Å; L500-F536 HydrophobicContact CG-CD2 4.17Å; L500-F536 HydrophobicContact CG-CE2 4.06Å; L500-C539 HydrophobicContact CB-CB 4.13Å; L500-C539 HydrophobicContact CD1-CB 4.2Å; L500-V540 HydrophobicContact CD1-CG2 4.01Å; L500-I543 HydrophobicContact CD1-CD1 4.34Å; L500-I565 HydrophobicContact CD1-CD1 3.9Å; L500-I565 HydrophobicContact CD1-CG1 4.17Å; L500-I565 HydrophobicContact CD1-CG2 4.08Å; L500-I565 HydrophobicContact CD2-CG1 4.44Å; L500-I565 HydrophobicContact CD2-CG2 4.26Å
501V94.9Very high91.7Very high41 Ų4135.5 Ų35.525%0.24820%0.202CC..Hα-helixtrans-61.1-43.8177.3171.40000111.1V426 I497 G498 V499 V504 C505 I568 I572V426-V501 HydrophobicContact CG2-CG2 4.08Å; I497-V501 HydrophobicContact CG2-CG2 4.39Å; I497-V501 WeakPolarHBondContact O-CG2 3.23Å; I497-V501 PolarHBondContact O-N 2.89Å; G498-V501 PolarHBondContact O-N 3.25Å; V499-V501 PolarHBondContact O-N 2.82Å; V501-V504 PolarHBondContact O-N 2.93Å; V501-C505 PolarHBondContact O-N 3.05Å; V501-C505 PolarHBondContact O-SG 2.87Å; V501-I568 HydrophobicContact CG2-CG2 4.24Å; V501-I572 HydrophobicContact CG1-CD1 4.2Å
502I95.4Very high92.1Very high112 Ų11235.1 Ų35.157%0.57420%0.198SC*.Hα-helixtrans-61.8-46.5177.4-66166.5000110.7G498 V499 L500 V504 C505 V506G498-I502 WeakPolarHBondContact O-CG1 3.49Å; G498-I502 PolarHBondContact O-N 3.41Å; V499-I502 PolarHBondContact O-N 2.91Å; L500-I502 VanDerWaalsContact C-N 3.35Å; L500-I502 PolarHBondContact O-N 3.11Å; I502-V504 VanDerWaalsContact C-N 3.33Å; I502-V504 PolarHBondContact O-N 2.86Å; I502-C505 WeakPolarHBondContact O-CB 3.18Å; I502-C505 PolarHBondContact O-N 2.69Å; I502-V506 WeakPolarHBondContact O-CG2 3.5Å; I502-V506 PolarHBondContact O-N 2.92Å
503V96Very high92.2Very high12 Ų1241 Ų417%0.07322%0.22CC..Hα-helixtrans-62.6-41.2178.8170.90000111.2V499 L500 V506 I507 C532 I535 F536V499-V503 HydrophobicContact CG1-CG2 4.21Å; V499-V503 VanDerWaalsContact O-CG2 3.3Å; V499-V503 WeakPolarHBondContact O-CG2 3.48Å; V499-V503 PolarHBondContact O-N 3.1Å; L500-V503 PolarHBondContact O-N 3.27Å; V503-V506 PolarHBondContact O-N 3.36Å; V503-I507 HydrophobicContact CG1-CD1 3.73Å; V503-I507 HydrophobicContact CG1-CG1 4.3Å; V503-I507 VanDerWaalsContact O-CG1 3.3Å; V503-I507 WeakPolarHBondContact O-CG1 3.46Å; V503-I507 PolarHBondContact O-N 2.84Å; V503-C532 HydrophobicContact CG1-CB 4.16Å; V503-C532 VanDerWaalsContact CG1-O 3.31Å; V503-C532 WeakPolarHBondContact CG1-O 3.36Å; V503-I535 HydrophobicContact CG2-CB 4.17Å; V503-I535 HydrophobicContact CG2-CG2 3.64Å; V503-F536 HydrophobicContact CG1-CB 3.96Å
504V95.7Very high92.4Very high0 Ų043.7 Ų43.70%023%0.232CC..Hα-helixtrans-60.2-47.2174.6168.20000110.7L500 V501 I502 V506 I507 S508 F536 F569 I572L500-V504 HydrophobicContact CD2-CG2 4.17Å; L500-V504 WeakPolarHBondContact O-CB 3.43Å; L500-V504 VanDerWaalsContact O-CG2 3.23Å; L500-V504 WeakPolarHBondContact O-CG2 3.08Å; L500-V504 PolarHBondContact O-N 2.98Å; V501-V504 PolarHBondContact O-N 2.93Å; I502-V504 VanDerWaalsContact C-N 3.33Å; I502-V504 PolarHBondContact O-N 2.86Å; V504-V506 VanDerWaalsContact C-N 3.31Å; V504-V506 PolarHBondContact O-N 3.39Å; V504-I507 PolarHBondContact O-N 2.83Å; V504-S508 WeakPolarHBondContact O-CB 3.46Å; V504-S508 PolarHBondContact O-N 3.43Å; V504-S508 PolarHBondContact O-OG 2.9Å; V504-F536 HydrophobicContact CG2-CD2 4.13Å; V504-F536 HydrophobicContact CG2-CE2 3.87Å; V504-F569 HydrophobicContact CG1-CB 4.32Å; V504-F569 HydrophobicContact CG1-CD2 3.94Å; V504-F569 HydrophobicContact CG1-CG 4.5Å; V504-F569 HydrophobicContact CG2-CD2 4.21Å; V504-I572 HydrophobicContact CB-CD1 4.39Å; V504-I572 HydrophobicContact CG1-CB 3.94Å; V504-I572 HydrophobicContact CG1-CD1 3.74Å; V504-I572 HydrophobicContact CG1-CG1 4.4Å; V504-I572 HydrophobicContact CG1-CG2 4.03Å
505C94.5Very high92.3Very high57 Ų5747.6 Ų47.639%0.38525%0.248SC..Hα-helixtrans-56.8-43.6175.2-68.30000112.3V501 I502 S508 Y509V501-C505 PolarHBondContact O-N 3.05Å; V501-C505 PolarHBondContact O-SG 2.87Å; I502-C505 WeakPolarHBondContact O-CB 3.18Å; I502-C505 PolarHBondContact O-N 2.69Å; C505-S508 PolarHBondContact O-N 3.3Å; C505-Y509 VanDerWaalsContact O-CB 3.31Å; C505-Y509 WeakPolarHBondContact O-CB 3.34Å; C505-Y509 PolarHBondContact O-N 2.9Å
506V94.9Very high92.2Very high56 Ų5650.3 Ų50.334%0.33926%0.264SS..Hα-helixtrans-65.1-46.2178.3173.60000111.2I502 V503 V504 S508 Y509 L510I502-V506 WeakPolarHBondContact O-CG2 3.5Å; I502-V506 PolarHBondContact O-N 2.92Å; V503-V506 PolarHBondContact O-N 3.36Å; V504-V506 VanDerWaalsContact C-N 3.31Å; V504-V506 PolarHBondContact O-N 3.39Å; V506-S508 PolarHBondContact O-N 3.44Å; V506-Y509 PolarHBondContact O-N 3.38Å; V506-L510 HydrophobicContact CG1-CD1 3.78Å; V506-L510 HydrophobicContact CG1-CG 4.26Å; V506-L510 WeakPolarHBondContact O-CB 3.24Å; V506-L510 VanDerWaalsContact O-CG 3.25Å; V506-L510 WeakPolarHBondContact O-CG 3.46Å; V506-L510 PolarHBondContact O-N 3.07Å
507I94.6Very high92.2Very high12 Ų1250.8 Ų50.86%0.06227%0.267CS..Hα-helixtrans-60.6-47177.1-68.4169.6000110.3V503 V504 Y509 L510 T511 L529 C532 L533 F569V503-I507 HydrophobicContact CG1-CD1 3.73Å; V503-I507 HydrophobicContact CG1-CG1 4.3Å; V503-I507 VanDerWaalsContact O-CG1 3.3Å; V503-I507 WeakPolarHBondContact O-CG1 3.46Å; V503-I507 PolarHBondContact O-N 2.84Å; V504-I507 PolarHBondContact O-N 2.83Å; I507-Y509 VanDerWaalsContact C-N 3.34Å; I507-Y509 PolarHBondContact O-N 2.86Å; I507-L510 PolarHBondContact O-N 3.13Å; I507-T511 HydrophobicContact CG2-CG2 4.23Å; I507-T511 WeakPolarHBondContact O-CB 3.46Å; I507-T511 VanDerWaalsContact O-CG2 3.29Å; I507-T511 WeakPolarHBondContact O-CG2 3.34Å; I507-T511 PolarHBondContact O-N 3.33Å; I507-T511 PolarHBondContact O-OG1 2.74Å; I507-L529 HydrophobicContact CG2-CD2 4.46Å; I507-C532 HydrophobicContact CD1-CB 3.9Å; I507-C532 HydrophobicContact CG1-CB 3.59Å; I507-L533 HydrophobicContact CD1-CD2 4.35Å; I507-F569 HydrophobicContact CG2-CE2 4.03Å
508S92.8Very high92.1Very high0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-62.2-40.4178.8-61.90000112.2V504 C505 V506 T511 T512V504-S508 WeakPolarHBondContact O-CB 3.46Å; V504-S508 PolarHBondContact O-N 3.43Å; V504-S508 PolarHBondContact O-OG 2.9Å; C505-S508 PolarHBondContact O-N 3.3Å; V506-S508 PolarHBondContact O-N 3.44Å; S508-T511 WeakPolarHBondContact CA-OG1 3.33Å; S508-T511 PolarHBondContact O-OG1 3.06Å; S508-T512 WeakPolarHBondContact O-CB 3.49Å; S508-T512 PolarHBondContact O-N 3Å; S508-T512 PolarHBondContact O-OG1 3.21Å
509Y92.3Very high92Very high119 Ų11955.4 Ų55.447%0.46729%0.287SS..Hα-helixtrans-63.6-51.4175.2176.9-93.4000112C505 V506 I507 T511 T512 Y513C505-Y509 VanDerWaalsContact O-CB 3.31Å; C505-Y509 WeakPolarHBondContact O-CB 3.34Å; C505-Y509 PolarHBondContact O-N 2.9Å; V506-Y509 PolarHBondContact O-N 3.38Å; I507-Y509 VanDerWaalsContact C-N 3.34Å; I507-Y509 PolarHBondContact O-N 2.86Å; Y509-T511 PolarHBondContact O-N 2.97Å; Y509-T512 PolarHBondContact O-N 3.37Å; Y509-Y513 AromaticContact CD2-CD2 3.38Å; Y509-Y513 HydrophobicContact CD2-CD2 3.38Å; Y509-Y513 AromaticContact CD2-CE2 3.6Å; Y509-Y513 HydrophobicContact CD2-CE2 3.6Å; Y509-Y513 HydrophobicContact CD2-CG 4.47Å; Y509-Y513 AromaticContact CE2-CD2 3.32Å; Y509-Y513 HydrophobicContact CE2-CD2 3.32Å; Y509-Y513 AromaticContact CE2-CE2 3.58Å; Y509-Y513 HydrophobicContact CE2-CE2 3.58Å; Y509-Y513 HydrophobicContact CE2-CG 4.09Å; Y509-Y513 HydrophobicContact CG-CD2 4.09Å; Y509-Y513 AromaticContact CZ-CD2 4Å; Y509-Y513 PolarHBondContact O-N 3.29Å
510L92.5Very high91.7Very high10 Ų1054.9 Ų54.95%0.05230%0.295CS..Hα-helixtrans-61.8-44.3-178.7-69.4172.4000111.9V506 I507 T512 H514 L528 L529V506-L510 HydrophobicContact CG1-CD1 3.78Å; V506-L510 HydrophobicContact CG1-CG 4.26Å; V506-L510 WeakPolarHBondContact O-CB 3.24Å; V506-L510 VanDerWaalsContact O-CG 3.25Å; V506-L510 WeakPolarHBondContact O-CG 3.46Å; V506-L510 PolarHBondContact O-N 3.07Å; I507-L510 PolarHBondContact O-N 3.13Å; L510-T512 VanDerWaalsContact C-N 3.28Å; L510-T512 PolarHBondContact O-N 3.03Å; L510-H514 WeakPolarHBondContact O-CA 3.46Å; L510-H514 WeakPolarHBondContact O-CB 3.49Å; L510-H514 PolarHBondContact O-N 3.37Å; L510-H514 VanDerWaalsContact O-N 3.07Å; L510-L528 HydrophobicContact CD1-CD2 3.49Å; L510-L528 VanDerWaalsContact CD1-CD2 3.49Å; L510-L528 HydrophobicContact CD1-CG 3.7Å; L510-L528 HydrophobicContact CD2-CD2 3.72Å; L510-L528 HydrophobicContact CG-CD2 4.25Å; L510-L529 HydrophobicContact CB-CD2 4.18Å; L510-L529 HydrophobicContact CD1-CD2 4.18Å
511T89.4Confident91.4Very high34 Ų3460.7 Ų60.721%0.20933%0.325CS..Hα-helixtrans-67-28.6-179.9510000113.2I507 S508 Y509 I518 L529I507-T511 HydrophobicContact CG2-CG2 4.23Å; I507-T511 WeakPolarHBondContact O-CB 3.46Å; I507-T511 VanDerWaalsContact O-CG2 3.29Å; I507-T511 WeakPolarHBondContact O-CG2 3.34Å; I507-T511 PolarHBondContact O-N 3.33Å; I507-T511 PolarHBondContact O-OG1 2.74Å; S508-T511 WeakPolarHBondContact CA-OG1 3.33Å; S508-T511 PolarHBondContact O-OG1 3.06Å; Y509-T511 PolarHBondContact O-N 2.97Å; T511-I518 HydrophobicContact CG2-CD1 4.29Å; T511-L529 HydrophobicContact CG2-CD2 4.19Å
512T86.9Confident91.3Very high29 Ų2962.4 Ų62.418%0.17833%0.33CS..Hα-helixtrans-85.3-53.5-179.6-52.70000112S508 Y509 L510 V576S508-T512 WeakPolarHBondContact O-CB 3.49Å; S508-T512 PolarHBondContact O-N 3Å; S508-T512 PolarHBondContact O-OG1 3.21Å; Y509-T512 PolarHBondContact O-N 3.37Å; L510-T512 VanDerWaalsContact C-N 3.28Å; L510-T512 PolarHBondContact O-N 3.03Å; T512-V576 HydrophobicContact CG2-CG1 3.96Å
513Y88.7Confident91.3Very high137 Ų13762.9 Ų62.954%0.53734%0.338SS..Hα-helixtrans-82.8-24.9-173.1-72.2-77.9000114.1Y509 V576Y509-Y513 AromaticContact CD2-CD2 3.38Å; Y509-Y513 HydrophobicContact CD2-CD2 3.38Å; Y509-Y513 AromaticContact CD2-CE2 3.6Å; Y509-Y513 HydrophobicContact CD2-CE2 3.6Å; Y509-Y513 HydrophobicContact CD2-CG 4.47Å; Y509-Y513 AromaticContact CE2-CD2 3.32Å; Y509-Y513 HydrophobicContact CE2-CD2 3.32Å; Y509-Y513 AromaticContact CE2-CE2 3.58Å; Y509-Y513 HydrophobicContact CE2-CE2 3.58Å; Y509-Y513 HydrophobicContact CE2-CG 4.09Å; Y509-Y513 HydrophobicContact CG-CD2 4.09Å; Y509-Y513 AromaticContact CZ-CD2 4Å; Y509-Y513 PolarHBondContact O-N 3.29Å; Y513-V576 HydrophobicContact CD2-CG1 4.48Å; Y513-V576 HydrophobicContact CE2-CG1 3.99Å
514H90.1Very high91.2Very high56 Ų5668.3 Ų68.326%0.25936%0.357SS..THydrogen-bonded Turntrans-109.427.3179.4-66.3-80.4000113L510 N516 S517 I518 W524 I525L510-H514 WeakPolarHBondContact O-CA 3.46Å; L510-H514 WeakPolarHBondContact O-CB 3.49Å; L510-H514 PolarHBondContact O-N 3.37Å; L510-H514 VanDerWaalsContact O-N 3.07Å; H514-N516 VanDerWaalsContact C-N 3.31Å; H514-N516 PolarHBondContact O-N 2.67Å; H514-S517 PolarHBondContact O-N 2.99Å; H514-S517 VanDerWaalsContact O-N 3.15Å; H514-I518 WeakPolarHBondContact O-CG1 3.47Å; H514-I518 PolarHBondContact O-N 3.42Å; H514-W524 AromaticContact CE1-CH2 3.84Å; H514-W524 AromaticContact ND1-CH2 3.81Å; H514-I525 HydrophobicContact CB-CD1 3.76Å; H514-I525 HydrophobicContact CB-CG1 4.4Å
515F85.6Confident91.1Very high125 Ų12568.3 Ų68.355%0.54836%0.357SS..Hα-helixtrans-54.1-45.1-179.7-176.7-100.6000113S517 I518 V519F515-S517 VanDerWaalsContact C-N 3.32Å; F515-S517 PolarHBondContact O-N 3.19Å; F515-I518 WeakPolarHBondContact O-CB 3.35Å; F515-I518 PolarHBondContact O-N 3.06Å; F515-I518 VanDerWaalsContact O-N 3.15Å; F515-V519 HydrophobicContact CD1-CG2 4.19Å; F515-V519 HydrophobicContact CE1-CG2 3.74Å; F515-V519 HydrophobicContact CE2-CG2 4.35Å; F515-V519 HydrophobicContact CZ-CG2 3.83Å; F515-V519 WeakPolarHBondContact O-CG2 3.27Å; F515-V519 PolarHBondContact O-N 3.49Å
516N87.7Confident91Very high138 Ų13868.9 Ų68.974%0.73836%0.356SS*.Hα-helixtrans-61.5-39.8-180-67.6-27.4000112.5H514 V519 G520H514-N516 VanDerWaalsContact C-N 3.31Å; H514-N516 PolarHBondContact O-N 2.67Å; N516-V519 PolarHBondContact O-N 2.85Å; N516-G520 PolarHBondContact O-N 3.06Å
517S90.3Very high90.9Very high24 Ų2468.5 Ų68.517%0.16836%0.359CS..Hα-helixtrans-76.6-23.4178.6-64.20000112.8H514 F515 L521 E522H514-S517 PolarHBondContact O-N 2.99Å; H514-S517 VanDerWaalsContact O-N 3.15Å; F515-S517 VanDerWaalsContact C-N 3.32Å; F515-S517 PolarHBondContact O-N 3.19Å; S517-L521 PolarHBondContact O-N 2.85Å; S517-E522 VanDerWaalsContact CB-OE1 3.3Å; S517-E522 WeakPolarHBondContact CB-OE1 3.47Å; S517-E522 PolarHBondContact O-N 3.07Å; S517-E522 PolarHBondContact OG-OE1 2.66Å
518I90Very high90.9Very high40 Ų4071.2 Ų71.221%0.20537%0.373CS..Hα-helixtrans-67.9-46.8167.7-66.5167.3000110.2T511 H514 F515 G520 L521 I525 L529T511-I518 HydrophobicContact CG2-CD1 4.29Å; H514-I518 WeakPolarHBondContact O-CG1 3.47Å; H514-I518 PolarHBondContact O-N 3.42Å; F515-I518 WeakPolarHBondContact O-CB 3.35Å; F515-I518 PolarHBondContact O-N 3.06Å; F515-I518 VanDerWaalsContact O-N 3.15Å; I518-G520 VanDerWaalsContact C-N 3.27Å; I518-G520 PolarHBondContact O-N 2.63Å; I518-L521 WeakPolarHBondContact O-CA 3.33Å; I518-L521 PolarHBondContact O-N 3.49Å; I518-I525 HydrophobicContact CD1-CG2 4.26Å; I518-I525 HydrophobicContact CG1-CG2 3.53Å; I518-L529 HydrophobicContact CD1-CD1 4Å; I518-L529 HydrophobicContact CG1-CD1 4.16Å
519V89.4Confident91Very high96 Ų9672.3 Ų72.358%0.58238%0.379SS*.Hα-helixtrans-63.9-36.1176175.30000110.8F515 N516 L521F515-V519 HydrophobicContact CD1-CG2 4.19Å; F515-V519 HydrophobicContact CE1-CG2 3.74Å; F515-V519 HydrophobicContact CE2-CG2 4.35Å; F515-V519 HydrophobicContact CZ-CG2 3.83Å; F515-V519 WeakPolarHBondContact O-CG2 3.27Å; F515-V519 PolarHBondContact O-N 3.49Å; N516-V519 PolarHBondContact O-N 2.85Å; V519-L521 PolarHBondContact O-N 3.11Å
520G88.3Confident91.1Very high54 Ų5469.4 Ų69.456%0.55738%0.376SS*.THydrogen-bonded Turntrans-70.2-1.9171.800000115N516 I518 E522N516-G520 PolarHBondContact O-N 3.06Å; I518-G520 VanDerWaalsContact C-N 3.27Å; I518-G520 PolarHBondContact O-N 2.63Å; G520-E522 PolarHBondContact O-N 3.01Å
521L89.8Confident91.3Very high123 Ų12372.4 Ų72.464%0.64440%0.395SS*.THydrogen-bonded Turntrans5337.5-179.7-66.1168.8000113.6S517 I518 V519 V523 L526S517-L521 PolarHBondContact O-N 2.85Å; I518-L521 WeakPolarHBondContact O-CA 3.33Å; I518-L521 PolarHBondContact O-N 3.49Å; V519-L521 PolarHBondContact O-N 3.11Å; L521-V523 PolarHBondContact O-N 3.23Å; L521-L526 HydrophobicContact CB-CD1 4.26Å; L521-L526 HydrophobicContact CD2-CD1 4.03Å
522E93.4Very high91.6Very high77 Ų7771.2 Ų71.236%0.3639%0.388SS..  trans-65.3128.7178.4-69.6-177.9-147.400111.5S517 G520 W524 I525 L526S517-E522 VanDerWaalsContact CB-OE1 3.3Å; S517-E522 WeakPolarHBondContact CB-OE1 3.47Å; S517-E522 PolarHBondContact O-N 3.07Å; S517-E522 PolarHBondContact OG-OE1 2.66Å; G520-E522 PolarHBondContact O-N 3.01Å; E522-W524 VanDerWaalsContact C-N 3.31Å; E522-W524 PolarHBondContact O-N 2.86Å; E522-W524 PolarHBondContact OE2-NE1 3.48Å; E522-I525 PolarHBondContact O-N 2.98Å; E522-L526 WeakPolarHBondContact O-CG 3.26Å; E522-L526 PolarHBondContact O-N 2.81Å
523V93.8Very high91.9Very high121 Ų12174.4 Ų74.473%0.73340%0.403SS*.Hα-helixtrans-61.2-36.6-170-178.60000112.7L521 L526 A527L521-V523 PolarHBondContact O-N 3.23Å; V523-L526 PolarHBondContact O-N 3.41Å; V523-A527 VanDerWaalsContact O-CB 3.27Å; V523-A527 WeakPolarHBondContact O-CB 3.41Å; V523-A527 PolarHBondContact O-N 3.49Å
524W93.8Very high92.3Very high126 Ų12673.8 Ų73.848%0.47741%0.408SS..Hα-helixtrans-68.7-38.8-17671.3-88.4000112.6H514 E522 L528H514-W524 AromaticContact CE1-CH2 3.84Å; H514-W524 AromaticContact ND1-CH2 3.81Å; E522-W524 VanDerWaalsContact C-N 3.31Å; E522-W524 PolarHBondContact O-N 2.86Å; E522-W524 PolarHBondContact OE2-NE1 3.48Å; W524-L528 WeakPolarHBondContact O-CB 3.45Å; W524-L528 PolarHBondContact O-N 3.03Å
525I93.3Very high92.6Very high0 Ų074.4 Ų74.40%041%0.413CS..Hα-helixtrans-70.8-43.5175.9-72.4154.3000110.5H514 I518 E522 A527 L528 L529H514-I525 HydrophobicContact CB-CD1 3.76Å; H514-I525 HydrophobicContact CB-CG1 4.4Å; I518-I525 HydrophobicContact CD1-CG2 4.26Å; I518-I525 HydrophobicContact CG1-CG2 3.53Å; E522-I525 PolarHBondContact O-N 2.98Å; I525-A527 VanDerWaalsContact C-N 3.29Å; I525-A527 PolarHBondContact O-N 3.4Å; I525-L528 PolarHBondContact O-N 3.43Å; I525-L529 HydrophobicContact CG2-CD1 3.72Å; I525-L529 HydrophobicContact CG2-CG 4.12Å; I525-L529 WeakPolarHBondContact O-CB 3Å; I525-L529 WeakPolarHBondContact O-CG 3.45Å; I525-L529 PolarHBondContact O-N 2.99Å
526L93Very high93Very high69 Ų6970.5 Ų70.536%0.36140%0.396SS..Hα-helixtrans-60.8-41.8177.4-67.9175.1000111.1L521 E522 V523 S530L521-L526 HydrophobicContact CB-CD1 4.26Å; L521-L526 HydrophobicContact CD2-CD1 4.03Å; E522-L526 WeakPolarHBondContact O-CG 3.26Å; E522-L526 PolarHBondContact O-N 2.81Å; V523-L526 PolarHBondContact O-N 3.41Å; L526-S530 VanDerWaalsContact O-CB 3.31Å; L526-S530 WeakPolarHBondContact O-CB 3.48Å; L526-S530 PolarHBondContact O-N 3.43Å; L526-S530 PolarHBondContact O-OG 2.64Å
527A93.9Very high93.3Very high48 Ų4867.3 Ų67.340%0.39738%0.384SS..Hα-helixtrans-61-48.3173.600000111.5V523 I525 L529 S530 V531V523-A527 VanDerWaalsContact O-CB 3.27Å; V523-A527 WeakPolarHBondContact O-CB 3.41Å; V523-A527 PolarHBondContact O-N 3.49Å; I525-A527 VanDerWaalsContact C-N 3.29Å; I525-A527 PolarHBondContact O-N 3.4Å; A527-L529 PolarHBondContact O-N 3.49Å; A527-S530 PolarHBondContact O-N 3.28Å; A527-S530 PolarHBondContact O-OG 3.28Å; A527-V531 WeakPolarHBondContact O-CG2 3.25Å; A527-V531 PolarHBondContact O-N 3.09Å
528L94.6Very high93.5Very high69 Ų6971.9 Ų71.936%0.36140%0.401SS..Hα-helixtrans-63.4-43.6179.8-174.361.5000112.7L510 W524 I525 S530 V531 C532L510-L528 HydrophobicContact CD1-CD2 3.49Å; L510-L528 VanDerWaalsContact CD1-CD2 3.49Å; L510-L528 HydrophobicContact CD1-CG 3.7Å; L510-L528 HydrophobicContact CD2-CD2 3.72Å; L510-L528 HydrophobicContact CG-CD2 4.25Å; W524-L528 WeakPolarHBondContact O-CB 3.45Å; W524-L528 PolarHBondContact O-N 3.03Å; I525-L528 PolarHBondContact O-N 3.43Å; L528-S530 VanDerWaalsContact C-N 3.33Å; L528-S530 PolarHBondContact O-N 3.28Å; L528-V531 PolarHBondContact O-N 2.91Å; L528-C532 PolarHBondContact O-N 2.99Å; L528-C532 PolarHBondContact O-SG 2.84Å
529L94.3Very high93.7Very high23 Ų2370.2 Ų70.212%0.1239%0.393CS..Hα-helixtrans-62.6-40.3174.5-76.8173.5000111.3I507 L510 T511 I518 I525 A527 V531 C532 L533I507-L529 HydrophobicContact CG2-CD2 4.46Å; L510-L529 HydrophobicContact CB-CD2 4.18Å; L510-L529 HydrophobicContact CD1-CD2 4.18Å; T511-L529 HydrophobicContact CG2-CD2 4.19Å; I518-L529 HydrophobicContact CD1-CD1 4Å; I518-L529 HydrophobicContact CG1-CD1 4.16Å; I525-L529 HydrophobicContact CG2-CD1 3.72Å; I525-L529 HydrophobicContact CG2-CG 4.12Å; I525-L529 WeakPolarHBondContact O-CB 3Å; I525-L529 WeakPolarHBondContact O-CG 3.45Å; I525-L529 PolarHBondContact O-N 2.99Å; A527-L529 PolarHBondContact O-N 3.49Å; L529-V531 PolarHBondContact O-N 3.48Å; L529-C532 PolarHBondContact O-N 2.9Å; L529-L533 WeakPolarHBondContact O-CB 3.35Å; L529-L533 VanDerWaalsContact O-CG 3.3Å; L529-L533 WeakPolarHBondContact O-CG 3.46Å; L529-L533 PolarHBondContact O-N 3.11Å
530S94.3Very high93.8Very high58 Ų5866.4 Ų66.441%0.40637%0.37SS..Hα-helixtrans-62.3-42.4176.978.20000111.9L526 A527 L528 L533 L534L526-S530 VanDerWaalsContact O-CB 3.31Å; L526-S530 WeakPolarHBondContact O-CB 3.48Å; L526-S530 PolarHBondContact O-N 3.43Å; L526-S530 PolarHBondContact O-OG 2.64Å; A527-S530 PolarHBondContact O-N 3.28Å; A527-S530 PolarHBondContact O-OG 3.28Å; L528-S530 VanDerWaalsContact C-N 3.33Å; L528-S530 PolarHBondContact O-N 3.28Å; S530-L533 PolarHBondContact O-N 3.37Å; S530-L534 VanDerWaalsContact O-CG 3.31Å; S530-L534 WeakPolarHBondContact O-CG 3.46Å; S530-L534 PolarHBondContact O-N 3.42Å
531V96.4Very high94Very high74 Ų7469.3 Ų69.345%0.44837%0.367SS..Hα-helixtrans-63.7-45.3175.6172.30000110.5A527 L528 L529 L533 L534 I535A527-V531 WeakPolarHBondContact O-CG2 3.25Å; A527-V531 PolarHBondContact O-N 3.09Å; L528-V531 PolarHBondContact O-N 2.91Å; L529-V531 PolarHBondContact O-N 3.48Å; V531-L533 VanDerWaalsContact C-N 3.34Å; V531-L533 PolarHBondContact O-N 2.88Å; V531-L534 PolarHBondContact O-N 2.93Å; V531-I535 HydrophobicContact CG1-CD1 3.99Å; V531-I535 WeakPolarHBondContact O-CG1 3.41Å; V531-I535 PolarHBondContact O-N 3.09Å
532C95.7Very high93.9Very high9 Ų963.8 Ų63.86%0.06134%0.338CS..Hα-helixtrans-61-42.6176.9-65.80000111.9V503 I507 L528 L529 L534 I535 F536V503-C532 HydrophobicContact CG1-CB 4.16Å; V503-C532 VanDerWaalsContact CG1-O 3.31Å; V503-C532 WeakPolarHBondContact CG1-O 3.36Å; I507-C532 HydrophobicContact CD1-CB 3.9Å; I507-C532 HydrophobicContact CG1-CB 3.59Å; L528-C532 PolarHBondContact O-N 2.99Å; L528-C532 PolarHBondContact O-SG 2.84Å; L529-C532 PolarHBondContact O-N 2.9Å; C532-L534 VanDerWaalsContact C-N 3.35Å; C532-L534 PolarHBondContact O-N 3.34Å; C532-I535 PolarHBondContact O-N 3.22Å; C532-F536 WeakPolarHBondContact O-CB 3.43Å; C532-F536 PolarHBondContact O-N 3.21Å
533L94.5Very high93.7Very high95 Ų9560.1 Ų60.150%0.49732%0.321SS..Hα-helixtrans-65.7-35.4177.2-73.8172.8000112.7I507 L529 S530 V531 S537I507-L533 HydrophobicContact CD1-CD2 4.35Å; L529-L533 WeakPolarHBondContact O-CB 3.35Å; L529-L533 VanDerWaalsContact O-CG 3.3Å; L529-L533 WeakPolarHBondContact O-CG 3.46Å; L529-L533 PolarHBondContact O-N 3.11Å; S530-L533 PolarHBondContact O-N 3.37Å; V531-L533 VanDerWaalsContact C-N 3.34Å; V531-L533 PolarHBondContact O-N 2.88Å; L533-S537 VanDerWaalsContact O-CB 3.31Å; L533-S537 WeakPolarHBondContact O-CB 3.22Å; L533-S537 PolarHBondContact O-N 3.47Å; L533-S537 PolarHBondContact O-OG 3.47Å
534L95.9Very high93.5Very high125 Ų12557.1 Ų57.165%0.65431%0.305SS*.Hα-helixtrans-65.5-45.7173.6-72.4172.5000111.4S530 V531 C532 F536 S537 F538S530-L534 VanDerWaalsContact O-CG 3.31Å; S530-L534 WeakPolarHBondContact O-CG 3.46Å; S530-L534 PolarHBondContact O-N 3.42Å; V531-L534 PolarHBondContact O-N 2.93Å; C532-L534 VanDerWaalsContact C-N 3.35Å; C532-L534 PolarHBondContact O-N 3.34Å; L534-F536 VanDerWaalsContact C-N 3.35Å; L534-S537 PolarHBondContact O-N 2.8Å; L534-F538 WeakPolarHBondContact O-CB 3.4Å; L534-F538 PolarHBondContact O-N 3.48Å
535I96Very high93.1Very high69 Ų6955.8 Ų55.835%0.35430%0.3SS..Hα-helixtrans-63.9-42.9176.6-60.8166.4000110.4V499 V503 V531 C532 F538 C539V499-I535 HydrophobicContact CG1-CG2 3.85Å; V503-I535 HydrophobicContact CG2-CB 4.17Å; V503-I535 HydrophobicContact CG2-CG2 3.64Å; V531-I535 HydrophobicContact CG1-CD1 3.99Å; V531-I535 WeakPolarHBondContact O-CG1 3.41Å; V531-I535 PolarHBondContact O-N 3.09Å; C532-I535 PolarHBondContact O-N 3.22Å; I535-F538 PolarHBondContact O-N 3.02Å; I535-C539 PolarHBondContact O-N 2.81Å; I535-C539 PolarHBondContact O-SG 3.43Å
536F95.2Very high92.7Very high43 Ų4356.2 Ų56.219%0.18930%0.302CS..Hα-helixtrans-57.9-51.2175.6179.8-93.1000111.3L500 V503 V504 C532 L534 F538 C539 V540 I565L500-F536 HydrophobicContact CD1-CD2 4.28Å; L500-F536 HydrophobicContact CD1-CE2 4.03Å; L500-F536 HydrophobicContact CD2-CE2 4.5Å; L500-F536 HydrophobicContact CG-CD2 4.17Å; L500-F536 HydrophobicContact CG-CE2 4.06Å; V503-F536 HydrophobicContact CG1-CB 3.96Å; V504-F536 HydrophobicContact CG2-CD2 4.13Å; V504-F536 HydrophobicContact CG2-CE2 3.87Å; C532-F536 WeakPolarHBondContact O-CB 3.43Å; C532-F536 PolarHBondContact O-N 3.21Å; L534-F536 VanDerWaalsContact C-N 3.35Å; F536-F538 VanDerWaalsContact C-N 3.3Å; F536-F538 PolarHBondContact O-N 3.42Å; F536-C539 PolarHBondContact O-N 3.38Å; F536-C539 VanDerWaalsContact O-N 3.17Å; F536-V540 HydrophobicContact CD1-CG2 4.14Å; F536-V540 HydrophobicContact CE1-CG2 3.79Å; F536-V540 HydrophobicContact CZ-CG2 4.03Å; F536-V540 WeakPolarHBondContact O-CG2 3.25Å; F536-V540 PolarHBondContact O-N 3.48Å; F536-I565 HydrophobicContact CE2-CG2 3.91Å; F536-I565 HydrophobicContact CZ-CG2 3.6Å
537S94.1Very high92.2Very high70 Ų7053.9 Ų53.949%0.4929%0.291SS..Hα-helixtrans-61.5-39.2179.4-58.40000111.8L533 L534 V540 F541L533-S537 VanDerWaalsContact O-CB 3.31Å; L533-S537 WeakPolarHBondContact O-CB 3.22Å; L533-S537 PolarHBondContact O-N 3.47Å; L533-S537 PolarHBondContact O-OG 3.47Å; L534-S537 PolarHBondContact O-N 2.8Å; S537-V540 PolarHBondContact O-N 3.38Å; S537-F541 WeakPolarHBondContact O-CB 2.99Å; S537-F541 PolarHBondContact O-N 3.01Å
538F93.8Very high91.7Very high120 Ų12055.4 Ų55.453%0.52629%0.29SS..Hα-helixtrans-63.3-44.5174.6179.9-101000112.1L534 I535 F536 F541 M542L534-F538 WeakPolarHBondContact O-CB 3.4Å; L534-F538 PolarHBondContact O-N 3.48Å; I535-F538 PolarHBondContact O-N 3.02Å; F536-F538 VanDerWaalsContact C-N 3.3Å; F536-F538 PolarHBondContact O-N 3.42Å; F538-F541 PolarHBondContact O-N 2.84Å; F538-M542 HydrophobicContact CD1-CG 4.24Å; F538-M542 HydrophobicContact CE1-CG 3.83Å; F538-M542 HydrophobicContact CE2-CG 4.39Å; F538-M542 HydrophobicContact CZ-CG 3.92Å; F538-M542 HydrophobicContact CZ-SD 4.15Å; F538-M542 WeakPolarHBondContact O-CB 3.39Å; F538-M542 WeakPolarHBondContact O-CG 3.06Å; F538-M542 PolarHBondContact O-N 3.35Å
539C93.3Very high90.8Very high6 Ų652.9 Ų52.94%0.04128%0.277CS..Hα-helixtrans-63.4-42.3176.6-65.70000111.9L500 I535 F536 M542 I543L500-C539 HydrophobicContact CB-CB 4.13Å; L500-C539 HydrophobicContact CD1-CB 4.2Å; I535-C539 PolarHBondContact O-N 2.81Å; I535-C539 PolarHBondContact O-SG 3.43Å; F536-C539 PolarHBondContact O-N 3.38Å; F536-C539 VanDerWaalsContact O-N 3.17Å; C539-M542 WeakPolarHBondContact O-CB 3.13Å; C539-M542 PolarHBondContact O-N 2.98Å; C539-I543 VanDerWaalsContact O-CG1 3.27Å; C539-I543 WeakPolarHBondContact O-CG1 3.08Å; C539-I543 PolarHBondContact O-N 2.68Å
540V93Very high89.5Confident16 Ų1656.7 Ų56.710%0.09730%0.302CS..Hα-helixtrans-62.1-46.7175.5175.80000110.5L500 F536 S537 M542 I543 C544 F562 I565L500-V540 HydrophobicContact CD1-CG2 4.01Å; F536-V540 HydrophobicContact CD1-CG2 4.14Å; F536-V540 HydrophobicContact CE1-CG2 3.79Å; F536-V540 HydrophobicContact CZ-CG2 4.03Å; F536-V540 WeakPolarHBondContact O-CG2 3.25Å; F536-V540 PolarHBondContact O-N 3.48Å; S537-V540 PolarHBondContact O-N 3.38Å; V540-M542 VanDerWaalsContact C-N 3.31Å; V540-M542 PolarHBondContact O-N 2.99Å; V540-I543 PolarHBondContact O-N 3.05Å; V540-C544 PolarHBondContact O-N 3.31Å; V540-C544 PolarHBondContact O-SG 3.12Å; V540-F562 HydrophobicContact CG1-CD1 4.37Å; V540-F562 HydrophobicContact CG1-CE1 3.8Å; V540-I565 HydrophobicContact CG2-CD1 4.08Å
541F91.8Very high88.5Confident114 Ų11458.8 Ų58.850%0.530%0.303SS..Hα-helixtrans-58.4-43.9176.7176.6-101.6000112S537 F538 I543 C544 R545S537-F541 WeakPolarHBondContact O-CB 2.99Å; S537-F541 PolarHBondContact O-N 3.01Å; F538-F541 PolarHBondContact O-N 2.84Å; F541-I543 PolarHBondContact O-N 3Å; F541-C544 PolarHBondContact O-N 3.36Å; F541-R545 HydrophobicContact CE1-CG 4.29Å; F541-R545 HydrophobicContact CE2-CG 4.34Å; F541-R545 VanDerWaalsContact CZ-CD 3.47Å; F541-R545 HydrophobicContact CZ-CG 4.15Å; F541-R545 PolarHBondContact O-N 3.23Å; F541-R545 VanDerWaalsContact O-N 3.14Å
542M88.3Confident87.3Confident7 Ų764.6 Ų64.63%0.03432%0.323CS..Hα-helixtrans-56.3-47.9174.8-82.5-58.3-49.100112.1V478 V492 F538 C539 V540 R545 Q546V478-M542 HydrophobicContact CB-CE 4.08Å; V478-M542 HydrophobicContact CB-SD 4.22Å; V478-M542 HydrophobicContact CG1-CE 3.94Å; V478-M542 HydrophobicContact CG1-SD 3.42Å; V478-M542 WeakPolarHBondContact CG1-SD 3.04Å; V478-M542 HydrophobicContact CG2-CE 3.47Å; V478-M542 VanDerWaalsContact CG2-CE 3.47Å; V478-M542 HydrophobicContact CG2-SD 3.99Å; V492-M542 HydrophobicContact CG1-CE 3.35Å; F538-M542 HydrophobicContact CD1-CG 4.24Å; F538-M542 HydrophobicContact CE1-CG 3.83Å; F538-M542 HydrophobicContact CE2-CG 4.39Å; F538-M542 HydrophobicContact CZ-CG 3.92Å; F538-M542 HydrophobicContact CZ-SD 4.15Å; F538-M542 WeakPolarHBondContact O-CB 3.39Å; F538-M542 WeakPolarHBondContact O-CG 3.06Å; F538-M542 PolarHBondContact O-N 3.35Å; C539-M542 WeakPolarHBondContact O-CB 3.13Å; C539-M542 PolarHBondContact O-N 2.98Å; V540-M542 VanDerWaalsContact C-N 3.31Å; V540-M542 PolarHBondContact O-N 2.99Å; M542-R545 PolarHBondContact O-N 3.35Å; M542-Q546 WeakPolarHBondContact O-CG 3.43Å
543I89.1Confident86.4Confident0 Ų065.9 Ų65.90%033%0.33CS..Hα-helixtrans-66.1-40.6179.5-64.4164.2000111.1Y433 I497 L500 C539 V540 F541 R545 Q546 P561 I565Y433-I543 HydrophobicContact CE1-CG2 4.39Å; Y433-I543 VanDerWaalsContact CE1-O 3.27Å; Y433-I543 WeakPolarHBondContact CE1-O 3.27Å; Y433-I543 HydrophobicContact CE2-CG2 3.81Å; Y433-I543 WeakPolarHBondContact OH-CG2 3.43Å; Y433-I543 PolarHBondContact OH-O 3.39Å; Y433-I543 VanDerWaalsContact OH-O 3.08Å; I497-I543 HydrophobicContact CG1-CD1 4.01Å; L500-I543 HydrophobicContact CD1-CD1 4.34Å; C539-I543 VanDerWaalsContact O-CG1 3.27Å; C539-I543 WeakPolarHBondContact O-CG1 3.08Å; C539-I543 PolarHBondContact O-N 2.68Å; V540-I543 PolarHBondContact O-N 3.05Å; F541-I543 PolarHBondContact O-N 3Å; I543-R545 VanDerWaalsContact C-N 3.27Å; I543-R545 PolarHBondContact O-N 3.19Å; I543-Q546 PolarHBondContact O-N 3.26Å; I543-P561 HydrophobicContact CG2-CB 3.62Å; I543-P561 HydrophobicContact CG2-CG 3.87Å; I543-I565 HydrophobicContact CD1-CD1 4.25Å
544C88.6Confident85.7Confident58 Ų5864.9 Ų64.939%0.39233%0.331SS..Hα-helixtrans-63.3-29.9178.5-71.90000113.4V540 F541 P561V540-C544 PolarHBondContact O-N 3.31Å; V540-C544 PolarHBondContact O-SG 3.12Å; F541-C544 PolarHBondContact O-N 3.36Å; C544-P561 VanDerWaalsContact SG-CG 3.54Å
545R86.3Confident85.3Confident99 Ų9961.3 Ų61.337%0.37431%0.311SS..Hα-helixtrans-79.2-15.9-179.4-75-16371.2-176.5-1.7114.5L479 F541 M542 I543L479-R545 PolarHBondContact O-NH2 3.44Å; F541-R545 HydrophobicContact CE1-CG 4.29Å; F541-R545 HydrophobicContact CE2-CG 4.34Å; F541-R545 VanDerWaalsContact CZ-CD 3.47Å; F541-R545 HydrophobicContact CZ-CG 4.15Å; F541-R545 PolarHBondContact O-N 3.23Å; F541-R545 VanDerWaalsContact O-N 3.14Å; M542-R545 PolarHBondContact O-N 3.35Å; I543-R545 VanDerWaalsContact C-N 3.27Å; I543-R545 PolarHBondContact O-N 3.19Å
546Q85.4Confident84.8Confident8 Ų861.1 Ų61.14%0.03731%0.309CS..SBendtrans-84.2146.2-174.6-63.7-64.4-32.300111.6Y433 S489 V493 M542 I543Y433-Q546 HydrophobicContact CD1-CB 3.8Å; Y433-Q546 HydrophobicContact CE1-CB 3.91Å; Y433-Q546 WeakPolarHBondContact CE1-O 3.19Å; S489-Q546 PolarHBondContact OG-OE1 2.95Å; V493-Q546 HydrophobicContact CG2-CB 3.69Å; V493-Q546 HydrophobicContact CG2-CG 3.63Å; M542-Q546 WeakPolarHBondContact O-CG 3.43Å; I543-Q546 PolarHBondContact O-N 3.26Å
547P81.5Confident84.5Confident20 Ų2059.4 Ų59.413%0.1330%0.302CS..PPolyproline II helixtrans-66.4140.5177.628.2-37.2000112.1Y433 P482 S489Y433-P547 WeakPolarHBondContact CD1-O 3.4Å; P482-P547 WeakPolarHBondContact O-CG 3.37Å; S489-P547 WeakPolarHBondContact OG-CD 3.43Å
548Q83.2Confident84.2Confident81 Ų8158.8 Ų58.838%0.37930%0.296SS..PPolyproline II helixtrans-97.5157.8177.5-62.5179.613.600111.5R432 Y433R432-Q548 WeakPolarHBondContact O-CA 3.43Å; Y433-Q548 HydrophobicContact CD1-CG 4.35Å; Y433-Q548 HydrophobicContact CE1-CG 3.81Å
549T75.6Confident83.9Confident16 Ų1661 Ų6110%0.09831%0.306CS..PPolyproline II helixtrans-58.6142.2171173.70000111.9R432 D436 K551R432-T549 WeakPolarHBondContact O-CG2 3.28Å; R432-T549 PolarHBondContact O-N 3.12Å; D436-T549 PolarHBondContact OD1-OG1 3.47Å; T549-K551 PolarHBondContact OG1-N 3.23Å; T549-K551 VanDerWaalsContact OG1-N 3.16Å
550T68.3Low83.6Confident103 Ų10362 Ų6263%0.63231%0.311SS*.  trans-89.8-8.6176.964.50000113.2D436 K552D436-T550 PolarHBondContact OD2-OG1 3.02Å; T550-K552 PolarHBondContact O-N 3.45Å
551K71.8Confident83.4Confident101 Ų10161.4 Ų61.444%0.43931%0.307SS..  trans-68.5112.4-175.5-168.1174.3-173.31720111.2E440 T549 M556E440-K551 IonicContact OE1-NZ 2.73Å; E440-K551 PolarHBondContact OE1-NZ 2.76Å; T549-K551 PolarHBondContact OG1-N 3.23Å; T549-K551 VanDerWaalsContact OG1-N 3.16Å; K551-M556 WeakPolarHBondContact O-CE 3.41Å
552K72.4Confident83.5Confident196 Ų19661.9 Ų61.985%0.85231%0.309SS*.  trans-77.3132175.3-67.8-174.7178.7179.80110.7T550T550-K552 PolarHBondContact O-N 3.45Å
553V76.4Confident83.7Confident36 Ų3662.5 Ų62.522%0.21831%0.313CS..  trans-120.8162.3177.5-67.10000109.4R90 F555 M556R90-V553 HydrophobicContact CG-CB 4.15Å; R90-V553 HydrophobicContact CG-CG1 3.61Å; R90-V553 HydrophobicContact CG-CG2 4.22Å; V553-F555 WeakPolarHBondContact CG2-O 3Å; V553-F555 PolarHBondContact O-N 2.96Å; V553-F555 VanDerWaalsContact O-N 3.11Å; V553-M556 HydrophobicContact CG2-CE 3.75Å; V553-M556 HydrophobicContact CG2-CG 3.49Å; V553-M556 VanDerWaalsContact CG2-CG 3.49Å; V553-M556 HydrophobicContact CG2-SD 4.46Å
554S79.5Confident83.9Confident74 Ų7462.5 Ų62.552%0.51731%0.313SS..SBendtrans-59.4-26.1-175.3-173.80000113.7Q284Q284-S554 WeakPolarHBondContact O-CB 3.42Å; Q284-S554 PolarHBondContact O-OG 3.25Å
555F86.8Confident84.3Confident51 Ų5160.1 Ų60.122%0.22430%0.296CS..  trans-143.1134175.1-178.6-92.8000110.5L82 A85 E86 A89 P288 V553 V557L82-F555 HydrophobicContact CD2-CE1 4.29Å; L82-F555 HydrophobicContact CD2-CZ 3.61Å; A85-F555 HydrophobicContact CB-CD1 3.71Å; A85-F555 HydrophobicContact CB-CE1 3.69Å; A85-F555 HydrophobicContact CB-CG 4.47Å; A85-F555 HydrophobicContact CB-CZ 4.44Å; E86-F555 HydrophobicContact CB-CD1 4.08Å; E86-F555 HydrophobicContact CB-CE1 4.47Å; A89-F555 HydrophobicContact CB-CB 4.35Å; P288-F555 HydrophobicContact CB-CB 3.68Å; P288-F555 HydrophobicContact CB-CD1 4.36Å; P288-F555 HydrophobicContact CB-CD2 4.07Å; P288-F555 HydrophobicContact CB-CG 3.76Å; P288-F555 HydrophobicContact CG-CB 3.58Å; P288-F555 HydrophobicContact CG-CG 4.15Å; V553-F555 WeakPolarHBondContact CG2-O 3Å; V553-F555 PolarHBondContact O-N 2.96Å; V553-F555 VanDerWaalsContact O-N 3.11Å; F555-V557 HydrophobicContact CE1-CG2 4.48Å
556M86.6Confident84.7Confident65 Ų6559.6 Ų59.632%0.3230%0.3SS..  trans-129.2130-179-76.8-159.3152.100109.2R432 K551 V553R432-M556 PolarHBondContact NH1-SD 3.02Å; R432-M556 PolarHBondContact NH2-SD 3.14Å; R432-M556 VanDerWaalsContact NH2-SD 3.43Å; K551-M556 WeakPolarHBondContact O-CE 3.41Å; V553-M556 HydrophobicContact CG2-CE 3.75Å; V553-M556 HydrophobicContact CG2-CG 3.49Å; V553-M556 VanDerWaalsContact CG2-CG 3.49Å; V553-M556 HydrophobicContact CG2-SD 4.46Å
557V88.4Confident85.1Confident6 Ų659.2 Ų59.24%0.03630%0.298CS..  trans-58.9128173.6173.80000109.4L82 E86 V428 F555 L560 L563 P564L82-V557 HydrophobicContact CB-CG2 4.26Å; L82-V557 WeakPolarHBondContact O-CG2 3.32Å; E86-V557 HydrophobicContact CB-CG2 3.76Å; E86-V557 VanDerWaalsContact OE2-CB 3.29Å; E86-V557 WeakPolarHBondContact OE2-CB 3.37Å; E86-V557 VanDerWaalsContact OE2-CG2 3.31Å; E86-V557 WeakPolarHBondContact OE2-CG2 3.27Å; E86-V557 PolarHBondContact OE2-N 3.42Å; V428-V557 HydrophobicContact CG1-CG2 4.47Å; F555-V557 HydrophobicContact CE1-CG2 4.48Å; V557-L560 WeakPolarHBondContact O-CD1 3.43Å; V557-L563 HydrophobicContact CG1-CB 4.22Å; V557-L563 HydrophobicContact CG1-CD1 4.01Å; V557-L563 HydrophobicContact CG1-CD2 3.77Å; V557-L563 HydrophobicContact CG1-CG 4.22Å; V557-P564 HydrophobicContact CG1-CG 4.41Å
558P87.8Confident85.8Confident57 Ų5758.3 Ų58.337%0.3729%0.292SS..SBendtrans-75.3160.917632.2-35.3000111.5L560 L563P558-L560 PolarHBondContact O-N 3.31Å; P558-L563 HydrophobicContact CG-CD1 4.07Å
559F88.4Confident86.3Confident167 Ų16757.4 Ų57.473%0.73229%0.287SS*.SBendtrans57.740173-54.5-71.2000115.5F562 L563F559-F562 WeakPolarHBondContact O-CB 3.47Å; F559-F562 PolarHBondContact O-N 2.86Å; F559-L563 PolarHBondContact O-N 3Å; F559-L563 VanDerWaalsContact O-N 3.12Å
560L85.4Confident87.2Confident27 Ų2758 Ų5814%0.14129%0.291CS..THydrogen-bonded Turntrans-65.1141.3168-85.2145.2000111.2L429 R432 V557 P558 P564L429-L560 HydrophobicContact CD2-CD2 4Å; R432-L560 HydrophobicContact CB-CD2 4.5Å; R432-L560 HydrophobicContact CG-CD1 3.97Å; R432-L560 HydrophobicContact CG-CD2 3.97Å; R432-L560 VanDerWaalsContact NE-CD1 3.34Å; V557-L560 WeakPolarHBondContact O-CD1 3.43Å; P558-L560 PolarHBondContact O-N 3.31Å; L560-P564 HydrophobicContact CD2-CG 3.95Å
561P89.4Confident88.3Confident4 Ų453.1 Ų53.13%0.02626%0.261CS..THydrogen-bonded Turncis-891-0.636.4-36.6000114.5L429 I543 C544 L563 P564 I565L429-P561 HydrophobicContact CD2-CB 3.84Å; I543-P561 HydrophobicContact CG2-CB 3.62Å; I543-P561 HydrophobicContact CG2-CG 3.87Å; C544-P561 VanDerWaalsContact SG-CG 3.54Å; P561-L563 PolarHBondContact O-N 3.36Å; P561-P564 WeakPolarHBondContact O-CD 3.33Å; P561-I565 HydrophobicContact CB-CD1 3.94Å; P561-I565 HydrophobicContact CG-CD1 4.29Å; P561-I565 WeakPolarHBondContact O-CD1 3.2Å; P561-I565 WeakPolarHBondContact O-CG1 3.35Å; P561-I565 PolarHBondContact O-N 2.8Å
562F93.3Very high89.3Confident123 Ų12349.1 Ų49.154%0.53924%0.244SC..Hα-helixtrans-65.3-41.7-169.1-57.9-77.2000114.2V540 F559 I565 L566V540-F562 HydrophobicContact CG1-CD1 4.37Å; V540-F562 HydrophobicContact CG1-CE1 3.8Å; F559-F562 WeakPolarHBondContact O-CB 3.47Å; F559-F562 PolarHBondContact O-N 2.86Å; F562-I565 PolarHBondContact O-N 2.98Å; F562-L566 WeakPolarHBondContact O-CB 3.23Å; F562-L566 PolarHBondContact O-N 2.89Å
563L93.4Very high90.3Very high21 Ų2142.2 Ų42.211%0.1121%0.213CC..Hα-helixtrans-64.6-50.4-175.9-172.3164.1000112.5M79 L82 V557 P558 F559 P561 I565 L566 S567M79-L563 HydrophobicContact CB-CD2 4.06Å; M79-L563 HydrophobicContact CG-CD2 4.34Å; M79-L563 HydrophobicContact CG-CG 4.4Å; L82-L563 HydrophobicContact CD1-CD1 3.81Å; V557-L563 HydrophobicContact CG1-CB 4.22Å; V557-L563 HydrophobicContact CG1-CD1 4.01Å; V557-L563 HydrophobicContact CG1-CD2 3.77Å; V557-L563 HydrophobicContact CG1-CG 4.22Å; P558-L563 HydrophobicContact CG-CD1 4.07Å; F559-L563 PolarHBondContact O-N 3Å; F559-L563 VanDerWaalsContact O-N 3.12Å; P561-L563 PolarHBondContact O-N 3.36Å; L563-I565 VanDerWaalsContact C-N 3.33Å; L563-I565 PolarHBondContact O-N 3.32Å; L563-L566 PolarHBondContact O-N 3.31Å; L563-S567 PolarHBondContact O-N 3.35Å
564P94.4Very high90.8Very high0 Ų040.6 Ų40.60%020%0.203CC..Hα-helixtrans-61.6-37.2173.7-25.735.5000113.7A425 L429 V557 L560 P561 S567 I568A425-P564 HydrophobicContact CB-CB 4.33Å; L429-P564 HydrophobicContact CD1-CB 3.86Å; L429-P564 HydrophobicContact CD2-CB 3.89Å; L429-P564 HydrophobicContact CD2-CG 4.05Å; L429-P564 HydrophobicContact CG-CB 3.59Å; L429-P564 HydrophobicContact CG-CG 4.16Å; V557-P564 HydrophobicContact CG1-CG 4.41Å; L560-P564 HydrophobicContact CD2-CG 3.95Å; P561-P564 WeakPolarHBondContact O-CD 3.33Å; P564-S567 WeakPolarHBondContact O-CB 3.48Å; P564-S567 PolarHBondContact O-N 3.46Å; P564-I568 VanDerWaalsContact O-CG1 3.3Å; P564-I568 WeakPolarHBondContact O-CG1 3.43Å; P564-I568 PolarHBondContact O-N 3.08Å
565I95.2Very high91.2Very high8 Ų837.8 Ų37.84%0.04118%0.182CC..Hα-helixtrans-63.9-43.2177.3-70172.5000110.9L429 L500 F536 V540 I543 P561 F562 L563 S567 I568 F569L429-I565 HydrophobicContact CD1-CG1 3.97Å; L500-I565 HydrophobicContact CD1-CD1 3.9Å; L500-I565 HydrophobicContact CD1-CG1 4.17Å; L500-I565 HydrophobicContact CD1-CG2 4.08Å; L500-I565 HydrophobicContact CD2-CG1 4.44Å; L500-I565 HydrophobicContact CD2-CG2 4.26Å; F536-I565 HydrophobicContact CE2-CG2 3.91Å; F536-I565 HydrophobicContact CZ-CG2 3.6Å; V540-I565 HydrophobicContact CG2-CD1 4.08Å; I543-I565 HydrophobicContact CD1-CD1 4.25Å; P561-I565 HydrophobicContact CB-CD1 3.94Å; P561-I565 HydrophobicContact CG-CD1 4.29Å; P561-I565 WeakPolarHBondContact O-CD1 3.2Å; P561-I565 WeakPolarHBondContact O-CG1 3.35Å; P561-I565 PolarHBondContact O-N 2.8Å; F562-I565 PolarHBondContact O-N 2.98Å; L563-I565 VanDerWaalsContact C-N 3.33Å; L563-I565 PolarHBondContact O-N 3.32Å; I565-S567 VanDerWaalsContact C-N 3.33Å; I565-I568 PolarHBondContact O-N 2.96Å; I565-F569 PolarHBondContact O-N 3.25Å
566L94.9Very high91.2Very high88 Ų8836.5 Ų36.546%0.46118%0.178SC..Hα-helixtrans-64.7-38.8175.2-175.861000111.4M79 F562 L563 F569 V570M79-L566 HydrophobicContact CE-CD2 4.42Å; M79-L566 HydrophobicContact CE-CG 4.16Å; M79-L566 HydrophobicContact SD-CB 4.1Å; M79-L566 HydrophobicContact SD-CD2 3.54Å; M79-L566 VanDerWaalsContact SD-CD2 3.54Å; M79-L566 HydrophobicContact SD-CG 3.62Å; F562-L566 WeakPolarHBondContact O-CB 3.23Å; F562-L566 PolarHBondContact O-N 2.89Å; L563-L566 PolarHBondContact O-N 3.31Å; L566-F569 PolarHBondContact O-N 3.16Å; L566-V570 HydrophobicContact CD1-CG2 4.23Å; L566-V570 HydrophobicContact CG-CG2 4.48Å; L566-V570 WeakPolarHBondContact O-CG2 3.35Å; L566-V570 PolarHBondContact O-N 2.67Å
567S94.8Very high91.1Very high0 Ų036 Ų360%018%0.175CC..Hα-helixtrans-60.6-45.7174.1-171.20000112L563 P564 I565 F569 V570 N571L563-S567 PolarHBondContact O-N 3.35Å; P564-S567 WeakPolarHBondContact O-CB 3.48Å; P564-S567 PolarHBondContact O-N 3.46Å; I565-S567 VanDerWaalsContact C-N 3.33Å; S567-F569 VanDerWaalsContact C-N 3.34Å; S567-F569 PolarHBondContact O-N 3.44Å; S567-V570 PolarHBondContact O-N 3.22Å; S567-N571 WeakPolarHBondContact O-CB 3.16Å; S567-N571 PolarHBondContact O-N 3.13Å; S567-N571 PolarHBondContact O-ND2 2.99Å
568I95.4Very high90.7Very high1 Ų136.3 Ų36.31%0.00518%0.177CC..Hα-helixtrans-59.4-46.8175.4-67.9163.2000110.3A425 V426 L429 V501 P564 I565 N571 I572A425-I568 HydrophobicContact CB-CD1 4.24Å; A425-I568 HydrophobicContact CB-CG1 3.72Å; V426-I568 HydrophobicContact CG2-CD1 3.57Å; V426-I568 HydrophobicContact CG2-CG1 4.2Å; L429-I568 HydrophobicContact CD1-CD1 3.95Å; V501-I568 HydrophobicContact CG2-CG2 4.24Å; P564-I568 VanDerWaalsContact O-CG1 3.3Å; P564-I568 WeakPolarHBondContact O-CG1 3.43Å; P564-I568 PolarHBondContact O-N 3.08Å; I565-I568 PolarHBondContact O-N 2.96Å; I568-N571 PolarHBondContact O-N 2.71Å; I568-I572 HydrophobicContact CG2-CD1 3.59Å; I568-I572 HydrophobicContact CG2-CG1 4.43Å; I568-I572 WeakPolarHBondContact O-CB 3.39Å; I568-I572 VanDerWaalsContact O-CG1 3.31Å; I568-I572 WeakPolarHBondContact O-CG1 3.44Å; I568-I572 PolarHBondContact O-N 3.4Å
569F95.1Very high90.4Very high62 Ų6236.1 Ų36.127%0.27218%0.177SC..Hα-helixtrans-59.4-52.2179.3-178.6-89.4000112.4V504 I507 I565 L566 S567 N571 I572 Y573V504-F569 HydrophobicContact CG1-CB 4.32Å; V504-F569 HydrophobicContact CG1-CD2 3.94Å; V504-F569 HydrophobicContact CG1-CG 4.5Å; V504-F569 HydrophobicContact CG2-CD2 4.21Å; I507-F569 HydrophobicContact CG2-CE2 4.03Å; I565-F569 PolarHBondContact O-N 3.25Å; L566-F569 PolarHBondContact O-N 3.16Å; S567-F569 VanDerWaalsContact C-N 3.34Å; S567-F569 PolarHBondContact O-N 3.44Å; F569-N571 PolarHBondContact O-N 2.98Å; F569-I572 PolarHBondContact O-N 2.92Å; F569-Y573 WeakPolarHBondContact O-CB 3.48Å; F569-Y573 PolarHBondContact O-N 3.33Å
570V92.8Very high90.1Very high29 Ų2930.5 Ų30.518%0.17617%0.166CC..Hα-helixtrans-63.8-43.1-178.41730000111A76 M79 L566 S567 Y573 L574A76-V570 HydrophobicContact CB-CG1 3.54Å; M79-V570 HydrophobicContact CE-CB 4.29Å; M79-V570 HydrophobicContact CE-CG2 4Å; L566-V570 HydrophobicContact CD1-CG2 4.23Å; L566-V570 HydrophobicContact CG-CG2 4.48Å; L566-V570 WeakPolarHBondContact O-CG2 3.35Å; L566-V570 PolarHBondContact O-N 2.67Å; S567-V570 PolarHBondContact O-N 3.22Å; V570-Y573 PolarHBondContact O-N 3.47Å; V570-L574 HydrophobicContact CG1-CD1 4Å; V570-L574 HydrophobicContact CG1-CG 4.36Å; V570-L574 VanDerWaalsContact O-CG 3.31Å; V570-L574 WeakPolarHBondContact O-CG 3.4Å; V570-L574 PolarHBondContact O-N 3.23Å
571N92.7Very high90Very high0 Ų034.2 Ų34.20%019%0.186CC..Hα-helixtrans-64.1-47.5180-69.2-16.2000111.9L418 Y421 S422 S567 I568 F569 Y573 L574 M575L418-N571 HydrophobicContact CD2-CB 4.08Å; Y421-N571 WeakPolarHBondContact CB-ND2 3.39Å; S422-N571 PolarHBondContact N-ND2 3.38Å; S422-N571 WeakPolarHBondContact OG-CB 3.44Å; S567-N571 WeakPolarHBondContact O-CB 3.16Å; S567-N571 PolarHBondContact O-N 3.13Å; S567-N571 PolarHBondContact O-ND2 2.99Å; I568-N571 PolarHBondContact O-N 2.71Å; F569-N571 PolarHBondContact O-N 2.98Å; N571-Y573 VanDerWaalsContact C-N 3.32Å; N571-Y573 PolarHBondContact O-N 3.39Å; N571-L574 PolarHBondContact O-N 3.44Å; N571-M575 VanDerWaalsContact O-CG 3.27Å; N571-M575 WeakPolarHBondContact O-CG 3.32Å; N571-M575 PolarHBondContact O-N 3.4Å
572I93.1Very high89.7Confident16 Ų1634.1 Ų34.18%0.08219%0.185CC..Hα-helixtrans-63.9-40.3178-68.7172.7000110.6V501 V504 I568 F569 M575 V576V501-I572 HydrophobicContact CG1-CD1 4.2Å; V504-I572 HydrophobicContact CB-CD1 4.39Å; V504-I572 HydrophobicContact CG1-CB 3.94Å; V504-I572 HydrophobicContact CG1-CD1 3.74Å; V504-I572 HydrophobicContact CG1-CG1 4.4Å; V504-I572 HydrophobicContact CG1-CG2 4.03Å; I568-I572 HydrophobicContact CG2-CD1 3.59Å; I568-I572 HydrophobicContact CG2-CG1 4.43Å; I568-I572 WeakPolarHBondContact O-CB 3.39Å; I568-I572 VanDerWaalsContact O-CG1 3.31Å; I568-I572 WeakPolarHBondContact O-CG1 3.44Å; I568-I572 PolarHBondContact O-N 3.4Å; F569-I572 PolarHBondContact O-N 2.92Å; I572-M575 WeakPolarHBondContact O-CB 3.45Å; I572-M575 PolarHBondContact O-N 2.84Å; I572-V576 WeakPolarHBondContact O-CG2 3.42Å; I572-V576 PolarHBondContact O-N 3.44Å; I572-V576 VanDerWaalsContact O-N 3.16Å
573Y91.6Very high89.4Confident51 Ų5132.5 Ų32.520%0.218%0.176CC..Hα-helixtrans-61.7-45.9177-176.1-108.2000112.3L257 F569 V570 N571 M575 V576 Q577L257-Y573 HydrophobicContact CD1-CE1 4.01Å; L257-Y573 HydrophobicContact CD2-CE1 3.51Å; L257-Y573 WeakPolarHBondContact CD2-OH 3.4Å; L257-Y573 HydrophobicContact CG-CE1 4.21Å; F569-Y573 WeakPolarHBondContact O-CB 3.48Å; F569-Y573 PolarHBondContact O-N 3.33Å; V570-Y573 PolarHBondContact O-N 3.47Å; N571-Y573 VanDerWaalsContact C-N 3.32Å; N571-Y573 PolarHBondContact O-N 3.39Å; Y573-M575 VanDerWaalsContact C-N 3.29Å; Y573-M575 PolarHBondContact O-N 2.91Å; Y573-V576 PolarHBondContact O-N 3.36Å; Y573-Q577 PolarHBondContact O-N 2.88Å; Y573-Q577 PolarHBondContact OH-NE2 3.48Å
574L87.1Confident89.1Confident2 Ų236.7 Ų36.71%0.0120%0.197CC..Hα-helixtrans-64.3-33.2175.3-67.8176.3000112.3A76 A261 F264 L418 V570 N571 V576 Q577A76-L574 HydrophobicContact CB-CD1 4.29Å; A261-L574 HydrophobicContact CB-CD2 4.01Å; F264-L574 HydrophobicContact CD2-CD1 4.31Å; L418-L574 HydrophobicContact CD1-CB 3.98Å; L418-L574 HydrophobicContact CD2-CB 4.3Å; L418-L574 HydrophobicContact CD2-CD1 4.33Å; V570-L574 HydrophobicContact CG1-CD1 4Å; V570-L574 HydrophobicContact CG1-CG 4.36Å; V570-L574 VanDerWaalsContact O-CG 3.31Å; V570-L574 WeakPolarHBondContact O-CG 3.4Å; V570-L574 PolarHBondContact O-N 3.23Å; N571-L574 PolarHBondContact O-N 3.44Å; L574-V576 VanDerWaalsContact C-N 3.33Å; L574-V576 PolarHBondContact O-N 2.67Å; L574-Q577 PolarHBondContact O-N 3.03Å
575M88Confident88.7Confident15 Ų1539.5 Ų39.57%0.07421%0.208CC..Hα-helixtrans-63.4-37.9174.9-72.9174.271.100112.8I415 L418 L419 N571 I572 Y573 Q577 L578 W583I415-M575 HydrophobicContact CG2-CE 4.02Å; L418-M575 HydrophobicContact CB-CG 3.41Å; L418-M575 VanDerWaalsContact CB-CG 3.41Å; L418-M575 HydrophobicContact CB-SD 3.81Å; L418-M575 HydrophobicContact CD1-CG 3.69Å; L418-M575 HydrophobicContact CG-CG 4.17Å; L419-M575 HydrophobicContact CB-CE 3.9Å; L419-M575 HydrophobicContact CB-SD 4.25Å; L419-M575 HydrophobicContact CD1-CE 4.39Å; N571-M575 VanDerWaalsContact O-CG 3.27Å; N571-M575 WeakPolarHBondContact O-CG 3.32Å; N571-M575 PolarHBondContact O-N 3.4Å; I572-M575 WeakPolarHBondContact O-CB 3.45Å; I572-M575 PolarHBondContact O-N 2.84Å; Y573-M575 VanDerWaalsContact C-N 3.29Å; Y573-M575 PolarHBondContact O-N 2.91Å; M575-Q577 VanDerWaalsContact C-N 3.28Å; M575-Q577 PolarHBondContact O-N 3.4Å; M575-L578 PolarHBondContact O-N 3.23Å; M575-W583 HydrophobicContact CB-CZ2 4.43Å; M575-W583 HydrophobicContact CE-CH2 4.07Å
576V87.6Confident88.4Confident25 Ų2539.9 Ų39.915%0.15221%0.209CC..Hα-helixtrans-72.1-23.7-179.5179.10000111.9T512 Y513 I572 Y573 L574 L578T512-V576 HydrophobicContact CG2-CG1 3.96Å; Y513-V576 HydrophobicContact CD2-CG1 4.48Å; Y513-V576 HydrophobicContact CE2-CG1 3.99Å; I572-V576 WeakPolarHBondContact O-CG2 3.42Å; I572-V576 PolarHBondContact O-N 3.44Å; I572-V576 VanDerWaalsContact O-N 3.16Å; Y573-V576 PolarHBondContact O-N 3.36Å; L574-V576 VanDerWaalsContact C-N 3.33Å; L574-V576 PolarHBondContact O-N 2.67Å; V576-L578 PolarHBondContact O-N 3.43Å
577Q83.9Confident88.2Confident53 Ų5338.9 Ų38.925%0.24821%0.209CC..THydrogen-bonded Turntrans-76.5-6.8177.2-66.7-70.1500114A261 Y573 L574 M575A261-Q577 HydrophobicContact CB-CB 4.47Å; Y573-Q577 PolarHBondContact O-N 2.88Å; Y573-Q577 PolarHBondContact OH-NE2 3.48Å; L574-Q577 PolarHBondContact O-N 3.03Å; M575-Q577 VanDerWaalsContact C-N 3.28Å; M575-Q577 PolarHBondContact O-N 3.4Å
578L80.6Confident88Confident13 Ų1343.7 Ų43.77%0.06824%0.238CC..SBendtrans-81.7152.9-179.2-67.5165.1000112I415 L418 M575 V576I415-L578 HydrophobicContact CB-CD1 4.41Å; I415-L578 HydrophobicContact CD1-CB 4.41Å; I415-L578 HydrophobicContact CD1-CD1 4.21Å; I415-L578 HydrophobicContact CG1-CB 4.4Å; I415-L578 HydrophobicContact CG1-CD1 3.33Å; I415-L578 HydrophobicContact CG1-CG 4.45Å; L418-L578 HydrophobicContact CD1-CD1 4.32Å; M575-L578 PolarHBondContact O-N 3.23Å; V576-L578 PolarHBondContact O-N 3.43Å
579S81.3Confident87.8Confident53 Ų5345.2 Ų45.237%0.37124%0.244SC..  trans-64.2153.3-174.386.70000113.6D581 T582 W583S579-D581 VanDerWaalsContact C-N 3.27Å; S579-D581 PolarHBondContact O-N 2.89Å; S579-T582 VanDerWaalsContact O-CB 3.31Å; S579-T582 WeakPolarHBondContact O-CB 3.4Å; S579-T582 PolarHBondContact O-N 3.42Å; S579-T582 VanDerWaalsContact O-N 3.14Å; S579-T582 PolarHBondContact OG-N 3.05Å; S579-T582 PolarHBondContact OG-OG1 3.1Å; S579-W583 PolarHBondContact O-N 3.42Å
580G82.8Confident87.7Confident49 Ų4943.1 Ų43.151%0.50524%0.235SC..Hα-helixtrans-60-34.7176.100000113.5T582 W583 I584G580-T582 VanDerWaalsContact C-N 3.27Å; G580-T582 PolarHBondContact O-N 3.3Å; G580-W583 WeakPolarHBondContact O-CB 3.45Å; G580-W583 PolarHBondContact O-N 3.04Å; G580-I584 WeakPolarHBondContact O-CG1 3.47Å; G580-I584 PolarHBondContact O-N 2.94Å; G580-I584 VanDerWaalsContact O-N 3.1Å
581D81.8Confident87.8Confident105 Ų10544.1 Ų44.156%0.56125%0.247SC*.Hα-helixtrans-62.7-37.4176.8-69.2-25.6000111.7S579 W583 I584 R585S579-D581 VanDerWaalsContact C-N 3.27Å; S579-D581 PolarHBondContact O-N 2.89Å; D581-W583 VanDerWaalsContact C-N 3.33Å; D581-W583 PolarHBondContact O-N 3.34Å; D581-I584 PolarHBondContact O-N 3.17Å; D581-R585 WeakPolarHBondContact O-CG 3.45Å; D581-R585 PolarHBondContact O-N 3.04Å; D581-R585 VanDerWaalsContact O-N 3.1Å
582T83.1Confident87.8Confident2 Ų246.1 Ų46.11%0.01226%0.263CS..Hα-helixtrans-62.4-42.3176.2-44.50000111D411 M412 I415 S579 G580 I584 R585 F586D411-T582 HydrophobicContact CB-CG2 3.85Å; D411-T582 WeakPolarHBondContact O-CG2 3.32Å; M412-T582 HydrophobicContact CB-CG2 4.47Å; I415-T582 HydrophobicContact CD1-CG2 3.33Å; I415-T582 HydrophobicContact CG1-CG2 3.84Å; S579-T582 VanDerWaalsContact O-CB 3.31Å; S579-T582 WeakPolarHBondContact O-CB 3.4Å; S579-T582 PolarHBondContact O-N 3.42Å; S579-T582 VanDerWaalsContact O-N 3.14Å; S579-T582 PolarHBondContact OG-N 3.05Å; S579-T582 PolarHBondContact OG-OG1 3.1Å; G580-T582 VanDerWaalsContact C-N 3.27Å; G580-T582 PolarHBondContact O-N 3.3Å; T582-I584 PolarHBondContact O-N 3.03Å; T582-R585 PolarHBondContact O-N 3.36Å; T582-F586 WeakPolarHBondContact O-CB 3.42Å; T582-F586 PolarHBondContact O-N 3Å
583W87.2Confident87.9Confident90 Ų9045.4 Ų45.434%0.34126%0.26SS..Hα-helixtrans-64.8-37.1176.3-79.398.1000113.1I415 M575 S579 G580 D581 S587I415-W583 HydrophobicContact CD1-CD2 4.21Å; I415-W583 HydrophobicContact CD1-CG 4.27Å; M575-W583 HydrophobicContact CB-CZ2 4.43Å; M575-W583 HydrophobicContact CE-CH2 4.07Å; S579-W583 PolarHBondContact O-N 3.42Å; G580-W583 WeakPolarHBondContact O-CB 3.45Å; G580-W583 PolarHBondContact O-N 3.04Å; D581-W583 VanDerWaalsContact C-N 3.33Å; D581-W583 PolarHBondContact O-N 3.34Å; W583-S587 WeakPolarHBondContact O-CB 3.35Å; W583-S587 PolarHBondContact O-N 3.15Å; W583-S587 PolarHBondContact O-OG 3.03Å
584I88.8Confident88Confident108 Ų10846 Ų4655%0.55426%0.264SS*.Hα-helixtrans-63.2-50.4176.2-66.6168.1000110G580 D581 T582 F586 S587 V588G580-I584 WeakPolarHBondContact O-CG1 3.47Å; G580-I584 PolarHBondContact O-N 2.94Å; G580-I584 VanDerWaalsContact O-N 3.1Å; D581-I584 PolarHBondContact O-N 3.17Å; T582-I584 PolarHBondContact O-N 3.03Å; I584-F586 PolarHBondContact O-N 2.88Å; I584-S587 WeakPolarHBondContact O-CB 3.16Å; I584-S587 PolarHBondContact O-N 3.39Å; I584-V588 WeakPolarHBondContact O-CG2 3.23Å; I584-V588 PolarHBondContact O-N 2.84Å
585R85.8Confident88.4Confident60 Ų6052.4 Ų52.423%0.22630%0.297CS..Hα-helixtrans-61.1-44.3179.2-67.5174.5-175.1164.92.9112.1G158 M412 D581 T582 S587 V588 W589G158-R585 PolarHBondContact O-NH2 2.85Å; M412-R585 HydrophobicContact SD-CB 4.08Å; D581-R585 WeakPolarHBondContact O-CG 3.45Å; D581-R585 PolarHBondContact O-N 3.04Å; D581-R585 VanDerWaalsContact O-N 3.1Å; T582-R585 PolarHBondContact O-N 3.36Å; R585-S587 VanDerWaalsContact C-N 3.31Å; R585-S587 PolarHBondContact O-N 2.7Å; R585-V588 PolarHBondContact O-N 3.45Å; R585-W589 PolarHBondContact O-N 3.42Å; R585-W589 VanDerWaalsContact O-N 3.12Å
586F88.1Confident88.7Confident15 Ų1553.8 Ų53.87%0.06630%0.304CS..Hα-helixtrans-60-42.1175.3-178.5-103.7000111.8N116 L119 I415 L419 T582 I584 V588 W589 M590N116-F586 VanDerWaalsContact OD1-CE2 3.27Å; N116-F586 WeakPolarHBondContact OD1-CE2 3.3Å; N116-F586 WeakPolarHBondContact OD1-CZ 3.19Å; L119-F586 HydrophobicContact CD2-CD2 4.05Å; L119-F586 HydrophobicContact CD2-CE2 4.27Å; I415-F586 HydrophobicContact CB-CD2 4.36Å; I415-F586 HydrophobicContact CD1-CB 4.42Å; I415-F586 HydrophobicContact CG2-CB 4.46Å; I415-F586 HydrophobicContact CG2-CD1 3.95Å; I415-F586 HydrophobicContact CG2-CD2 3.9Å; I415-F586 HydrophobicContact CG2-CE1 4.14Å; I415-F586 HydrophobicContact CG2-CE2 4.1Å; I415-F586 HydrophobicContact CG2-CG 3.82Å; I415-F586 HydrophobicContact CG2-CZ 4.23Å; L419-F586 HydrophobicContact CD2-CZ 3.98Å; T582-F586 WeakPolarHBondContact O-CB 3.42Å; T582-F586 PolarHBondContact O-N 3Å; I584-F586 PolarHBondContact O-N 2.88Å; F586-V588 PolarHBondContact O-N 3.16Å; F586-W589 PolarHBondContact O-N 3.13Å; F586-M590 HydrophobicContact CD1-CG 4.1Å; F586-M590 HydrophobicContact CE1-CG 3.61Å; F586-M590 HydrophobicContact CE1-SD 4.42Å; F586-M590 HydrophobicContact CE2-CG 4.16Å; F586-M590 HydrophobicContact CE2-SD 4.34Å; F586-M590 HydrophobicContact CZ-CG 3.64Å; F586-M590 HydrophobicContact CZ-SD 3.89Å; F586-M590 WeakPolarHBondContact O-CG 3.33Å; F586-M590 PolarHBondContact O-N 3.39Å
587S90.3Very high89Confident67 Ų6752.6 Ų52.647%0.46930%0.297SS..Hα-helixtrans-63.8-39.5178.2-60.90000112.5W583 I584 R585 M590 A591W583-S587 WeakPolarHBondContact O-CB 3.35Å; W583-S587 PolarHBondContact O-N 3.15Å; W583-S587 PolarHBondContact O-OG 3.03Å; I584-S587 WeakPolarHBondContact O-CB 3.16Å; I584-S587 PolarHBondContact O-N 3.39Å; R585-S587 VanDerWaalsContact C-N 3.31Å; R585-S587 PolarHBondContact O-N 2.7Å; S587-M590 PolarHBondContact O-N 2.79Å; S587-A591 WeakPolarHBondContact O-CB 3.37Å; S587-A591 PolarHBondContact O-N 2.83Å
588V91Very high89.4Confident101 Ų10154.1 Ų54.161%0.61230%0.303SS*.Hα-helixtrans-61.7-44.4174.4173.30000111I584 R585 F586 A591 A592I584-V588 WeakPolarHBondContact O-CG2 3.23Å; I584-V588 PolarHBondContact O-N 2.84Å; R585-V588 PolarHBondContact O-N 3.45Å; F586-V588 PolarHBondContact O-N 3.16Å; V588-A591 PolarHBondContact O-N 2.85Å; V588-A592 PolarHBondContact O-N 3.44Å; V588-A592 VanDerWaalsContact O-N 3.14Å
589W90.9Very high89.9Confident33 Ų3356.2 Ų56.213%0.12533%0.328CS..Hα-helixtrans-63.2-43.3176.4178.9-97.9000112.7W115 I118 L119 M400 M412 R585 F586 A591 A592 G593W115-W589 AromaticContact CD1-CD1 3.58Å; W115-W589 AromaticContact CD1-NE1 3.23Å; W115-W589 HydrophobicContact CD2-CZ2 4.26Å; W115-W589 AromaticContact CD2-NE1 3.93Å; W115-W589 AromaticContact CE2-CE2 3.46Å; W115-W589 VanDerWaalsContact CE2-CE2 3.46Å; W115-W589 AromaticContact CE2-CZ2 3.69Å; W115-W589 AromaticContact CE2-NE1 3.36Å; W115-W589 AromaticContact CG-NE1 3.85Å; W115-W589 HydrophobicContact CH2-CH2 4.18Å; W115-W589 AromaticContact CH2-CZ2 3.91Å; W115-W589 HydrophobicContact CH2-CZ2 3.91Å; W115-W589 HydrophobicContact CZ2-CD2 4.13Å; W115-W589 AromaticContact CZ2-CE2 3.58Å; W115-W589 AromaticContact CZ2-CH2 3.97Å; W115-W589 HydrophobicContact CZ2-CH2 3.97Å; W115-W589 AromaticContact CZ2-CZ2 3.5Å; W115-W589 HydrophobicContact CZ2-CZ2 3.5Å; W115-W589 HydrophobicContact CZ2-CZ3 4.44Å; W115-W589 AromaticContact CZ2-NE1 3.99Å; W115-W589 HydrophobicContact CZ3-CZ2 4.45Å; W115-W589 AromaticContact NE1-CD1 3.22Å; W115-W589 AromaticContact NE1-CD2 3.97Å; W115-W589 AromaticContact NE1-CE2 3.44Å; W115-W589 AromaticContact NE1-CG 3.87Å; W115-W589 AromaticContact NE1-NE1 2.9Å; W115-W589 PolarHBondContact NE1-O 3.41Å; W115-W589 PolarHBondContact O-NE1 2.9Å; I118-W589 HydrophobicContact CG2-CZ2 4.42Å; L119-W589 HydrophobicContact CB-CD2 4.49Å; L119-W589 HydrophobicContact CB-CZ2 4.1Å; L119-W589 HydrophobicContact CD1-CB 4.34Å; L119-W589 HydrophobicContact CD1-CD2 3.25Å; L119-W589 HydrophobicContact CD1-CE3 3.7Å; L119-W589 HydrophobicContact CD1-CG 3.53Å; L119-W589 HydrophobicContact CD1-CH2 4.2Å; L119-W589 HydrophobicContact CD1-CZ2 3.81Å; L119-W589 HydrophobicContact CD1-CZ3 4.15Å; L119-W589 HydrophobicContact CD2-CG 3.97Å; L119-W589 HydrophobicContact CG-CD2 4.25Å; L119-W589 HydrophobicContact CG-CG 4.2Å; M400-W589 HydrophobicContact CE-CE3 4.3Å; M400-W589 HydrophobicContact CE-CZ3 4.01Å; M412-W589 HydrophobicContact CE-CB 4.01Å; M412-W589 HydrophobicContact CE-CG 4.47Å; R585-W589 PolarHBondContact O-N 3.42Å; R585-W589 VanDerWaalsContact O-N 3.12Å; F586-W589 PolarHBondContact O-N 3.13Å; W589-A591 VanDerWaalsContact C-N 3.34Å; W589-A591 PolarHBondContact O-N 3.48Å; W589-A592 PolarHBondContact O-N 3.3Å; W589-G593 PolarHBondContact O-N 3.26Å; W589-G593 VanDerWaalsContact O-N 3.07Å
590M93.4Very high90.4Very high18 Ų1855.7 Ų55.79%0.08932%0.318CS..Hα-helixtrans-64.1-38.8176.7-74.6-56-5800112.1I112 N116 F586 S587 A592 G593 F594I112-M590 HydrophobicContact CB-CE 4.4Å; I112-M590 HydrophobicContact CG1-CE 4.04Å; I112-M590 HydrophobicContact CG2-CE 3.96Å; N116-M590 PolarHBondContact OD1-SD 3.18Å; F586-M590 HydrophobicContact CD1-CG 4.1Å; F586-M590 HydrophobicContact CE1-CG 3.61Å; F586-M590 HydrophobicContact CE1-SD 4.42Å; F586-M590 HydrophobicContact CE2-CG 4.16Å; F586-M590 HydrophobicContact CE2-SD 4.34Å; F586-M590 HydrophobicContact CZ-CG 3.64Å; F586-M590 HydrophobicContact CZ-SD 3.89Å; F586-M590 WeakPolarHBondContact O-CG 3.33Å; F586-M590 PolarHBondContact O-N 3.39Å; S587-M590 PolarHBondContact O-N 2.79Å; M590-A592 VanDerWaalsContact C-N 3.34Å; M590-A592 PolarHBondContact O-N 3.09Å; M590-G593 PolarHBondContact O-N 2.86Å; M590-F594 HydrophobicContact CB-CD2 4.49Å; M590-F594 HydrophobicContact CB-CE2 4.28Å; M590-F594 HydrophobicContact CE-CD2 4.42Å; M590-F594 HydrophobicContact CE-CE1 4.27Å; M590-F594 HydrophobicContact CE-CE2 3.65Å; M590-F594 HydrophobicContact CE-CZ 3.56Å; M590-F594 WeakPolarHBondContact O-CD2 3.37Å; M590-F594 PolarHBondContact O-N 3.37Å
591A94.6Very high90.7Very high50 Ų5053.4 Ų53.441%0.41329%0.294SS..Hα-helixtrans-59.8-44.617500000111.5S587 V588 W589 G593 F594 L595S587-A591 WeakPolarHBondContact O-CB 3.37Å; S587-A591 PolarHBondContact O-N 2.83Å; V588-A591 PolarHBondContact O-N 2.85Å; W589-A591 VanDerWaalsContact C-N 3.34Å; W589-A591 PolarHBondContact O-N 3.48Å; A591-G593 VanDerWaalsContact C-N 3.34Å; A591-G593 PolarHBondContact O-N 3.47Å; A591-F594 PolarHBondContact O-N 2.87Å; A591-L595 WeakPolarHBondContact O-CG 3.12Å; A591-L595 PolarHBondContact O-N 3.49Å
592A93.7Very high90.9Very high43 Ų4348.7 Ų48.736%0.35527%0.269SS..Hα-helixtrans-60-43.2174.700000112.2V588 W589 M590 L595 I596V588-A592 PolarHBondContact O-N 3.44Å; V588-A592 VanDerWaalsContact O-N 3.14Å; W589-A592 PolarHBondContact O-N 3.3Å; M590-A592 VanDerWaalsContact C-N 3.34Å; M590-A592 PolarHBondContact O-N 3.09Å; A592-L595 PolarHBondContact O-N 3.31Å; A592-I596 WeakPolarHBondContact O-CG1 3.12Å; A592-I596 PolarHBondContact O-N 2.74Å
593G94.1Very high91Very high0 Ų055.8 Ų55.80%030%0.295CS..Hα-helixtrans-61-47.9175.500000112.8F111 W115 W589 M590 A591 L595 I596 Y597F111-G593 WeakPolarHBondContact CE1-O 3.36Å; F111-G593 WeakPolarHBondContact CZ-O 3.33Å; W115-G593 VanDerWaalsContact NE1-CA 3.28Å; W589-G593 PolarHBondContact O-N 3.26Å; W589-G593 VanDerWaalsContact O-N 3.07Å; M590-G593 PolarHBondContact O-N 2.86Å; A591-G593 VanDerWaalsContact C-N 3.34Å; A591-G593 PolarHBondContact O-N 3.47Å; G593-L595 VanDerWaalsContact C-N 3.31Å; G593-L595 PolarHBondContact O-N 2.57Å; G593-I596 WeakPolarHBondContact O-CB 3.32Å; G593-I596 PolarHBondContact O-N 3.11Å; G593-I596 VanDerWaalsContact O-N 3.11Å; G593-Y597 PolarHBondContact O-N 3.04Å
594F94.8Very high91Very high65 Ų6555 Ų5529%0.28530%0.295SS..Hα-helixtrans-63.4-36.6178.9-72.7-49.1000112.6I108 I112 M590 A591 I596 Y597 F598I108-F594 HydrophobicContact CD1-CE1 4.14Å; I112-F594 HydrophobicContact CD1-CE1 4.08Å; I112-F594 HydrophobicContact CD1-CZ 3.99Å; I112-F594 HydrophobicContact CG1-CE1 3.82Å; I112-F594 HydrophobicContact CG1-CZ 3.92Å; M590-F594 HydrophobicContact CB-CD2 4.49Å; M590-F594 HydrophobicContact CB-CE2 4.28Å; M590-F594 HydrophobicContact CE-CD2 4.42Å; M590-F594 HydrophobicContact CE-CE1 4.27Å; M590-F594 HydrophobicContact CE-CE2 3.65Å; M590-F594 HydrophobicContact CE-CZ 3.56Å; M590-F594 WeakPolarHBondContact O-CD2 3.37Å; M590-F594 PolarHBondContact O-N 3.37Å; A591-F594 PolarHBondContact O-N 2.87Å; F594-I596 VanDerWaalsContact C-N 3.3Å; F594-I596 PolarHBondContact O-N 2.85Å; F594-Y597 PolarHBondContact O-N 2.92Å; F594-F598 HydrophobicContact CB-CD2 4.02Å; F594-F598 HydrophobicContact CB-CE2 4.03Å; F594-F598 AromaticContact CD1-CE2 3.87Å; F594-F598 HydrophobicContact CD1-CE2 3.87Å; F594-F598 HydrophobicContact CG-CE2 4.19Å; F594-F598 WeakPolarHBondContact O-CB 3.2Å; F594-F598 WeakPolarHBondContact O-CD2 3.41Å; F594-F598 PolarHBondContact O-N 3.17Å
595L95.3Very high90.9Very high136 Ų13649.9 Ų49.971%0.71227%0.269SS*.Hα-helixtrans-59-42.6172.8-72171.7000111.7A591 A592 G593 G599A591-L595 WeakPolarHBondContact O-CG 3.12Å; A591-L595 PolarHBondContact O-N 3.49Å; A592-L595 PolarHBondContact O-N 3.31Å; G593-L595 VanDerWaalsContact C-N 3.31Å; G593-L595 PolarHBondContact O-N 2.57Å; L595-G599 WeakPolarHBondContact O-CA 3.49Å; L595-G599 PolarHBondContact O-N 3.09Å
596I93.9Very high90.8Very high43 Ų4348 Ų4822%0.22127%0.267CS..Hα-helixtrans-67-44.6176.4-63.9166.5000110.9W115 L372 F373 A592 G593 F594 Y600 G601W115-I596 HydrophobicContact CH2-CD1 3.74Å; W115-I596 HydrophobicContact CZ2-CD1 4.4Å; W115-I596 HydrophobicContact CZ3-CD1 4.18Å; L372-I596 HydrophobicContact CD2-CG2 3.96Å; F373-I596 HydrophobicContact CE2-CG2 4.2Å; F373-I596 HydrophobicContact CZ-CG2 4.25Å; A592-I596 WeakPolarHBondContact O-CG1 3.12Å; A592-I596 PolarHBondContact O-N 2.74Å; G593-I596 WeakPolarHBondContact O-CB 3.32Å; G593-I596 PolarHBondContact O-N 3.11Å; G593-I596 VanDerWaalsContact O-N 3.11Å; F594-I596 VanDerWaalsContact C-N 3.3Å; F594-I596 PolarHBondContact O-N 2.85Å; I596-Y600 WeakPolarHBondContact O-CA 3.37Å; I596-Y600 WeakPolarHBondContact O-CB 3.21Å; I596-Y600 PolarHBondContact O-N 3.49Å; I596-G601 PolarHBondContact O-N 3.16Å
597Y93.3Very high90.4Very high0 Ų048.1 Ų48.10%027%0.267CS..Iπ-helixtrans-65.9-51-178.1179-100.3000112.7L12 E107 I108 F111 G593 F594 G601 I602L12-Y597 HydrophobicContact CD2-CE1 3.76Å; E107-Y597 HydrophobicContact CG-CE2 4.24Å; E107-Y597 PolarHBondContact OE1-OH 3.46Å; I108-Y597 HydrophobicContact CD1-CD1 3.76Å; I108-Y597 HydrophobicContact CD1-CE1 3.42Å; I108-Y597 VanDerWaalsContact CD1-CE1 3.42Å; F111-Y597 HydrophobicContact CB-CD2 3.78Å; F111-Y597 HydrophobicContact CB-CE2 3.93Å; F111-Y597 HydrophobicContact CB-CG 4.48Å; F111-Y597 HydrophobicContact CD1-CD2 4.01Å; F111-Y597 AromaticContact CD1-CG 3.96Å; F111-Y597 HydrophobicContact CD1-CG 3.96Å; F111-Y597 AromaticContact CD2-CD2 3.57Å; F111-Y597 HydrophobicContact CD2-CD2 3.57Å; F111-Y597 HydrophobicContact CD2-CE2 4.44Å; F111-Y597 HydrophobicContact CD2-CG 4.2Å; F111-Y597 HydrophobicContact CE1-CG 4.31Å; F111-Y597 HydrophobicContact CE2-CD2 4.2Å; F111-Y597 AromaticContact CG-CD2 3.47Å; F111-Y597 HydrophobicContact CG-CD2 3.47Å; F111-Y597 VanDerWaalsContact CG-CD2 3.47Å; F111-Y597 HydrophobicContact CG-CE2 4.15Å; F111-Y597 AromaticContact CG-CG 3.92Å; F111-Y597 HydrophobicContact CG-CG 3.92Å; G593-Y597 PolarHBondContact O-N 3.04Å; F594-Y597 PolarHBondContact O-N 2.92Å; Y597-G601 CarbonylContact O-C 3.48Å; Y597-G601 WeakPolarHBondContact O-CA 3.33Å; Y597-G601 PolarHBondContact O-N 3.3Å; Y597-I602 HydrophobicContact CE1-CB 4.31Å; Y597-I602 PolarHBondContact O-N 3.11Å
598F92.6Very high90Very high85 Ų8546.8 Ų46.837%0.37325%0.252SS..Iπ-helixtrans-72.6-30-179.7-69-64.8000112.4F8 L12 I108 F594 I602 W603F8-F598 HydrophobicContact CZ-CD1 4.35Å; F8-F598 HydrophobicContact CZ-CE1 4.01Å; L12-F598 HydrophobicContact CD2-CE1 4.08Å; I108-F598 HydrophobicContact CD1-CZ 4.41Å; F594-F598 HydrophobicContact CB-CD2 4.02Å; F594-F598 HydrophobicContact CB-CE2 4.03Å; F594-F598 AromaticContact CD1-CE2 3.87Å; F594-F598 HydrophobicContact CD1-CE2 3.87Å; F594-F598 HydrophobicContact CG-CE2 4.19Å; F594-F598 WeakPolarHBondContact O-CB 3.2Å; F594-F598 WeakPolarHBondContact O-CD2 3.41Å; F594-F598 PolarHBondContact O-N 3.17Å; F598-I602 WeakPolarHBondContact O-CG2 3.45Å; F598-W603 PolarHBondContact O-NE1 3.38Å
599G91.2Very high89.5Confident57 Ų5746 Ų4659%0.58824%0.241SC*.Iπ-helixtrans-76.4-40.9176.800000113.9L595L595-G599 WeakPolarHBondContact O-CA 3.49Å; L595-G599 PolarHBondContact O-N 3.09Å
600Y92.4Very high88.8Confident43 Ų4349.7 Ų49.717%0.16926%0.255CS..Iπ-helixtrans-124-52.9-173.2175.7-86.1000113.1L372 F373 K374 I596 I602 W603 H604L372-Y600 VanDerWaalsContact C-CE1 3.44Å; L372-Y600 VanDerWaalsContact O-CE1 3.27Å; L372-Y600 WeakPolarHBondContact O-CE1 3.29Å; F373-Y600 HydrophobicContact CD1-CD1 4.2Å; F373-Y600 AromaticContact CD1-CD2 3.97Å; F373-Y600 HydrophobicContact CD1-CD2 3.97Å; F373-Y600 HydrophobicContact CD1-CE1 4.29Å; F373-Y600 HydrophobicContact CD1-CE2 4.01Å; F373-Y600 HydrophobicContact CD1-CG 4.07Å; F373-Y600 HydrophobicContact CE1-CD1 4.43Å; F373-Y600 HydrophobicContact CE1-CD2 4.03Å; F373-Y600 AromaticContact CE1-CG 3.98Å; F373-Y600 HydrophobicContact CE1-CG 3.98Å; K374-Y600 PolarHBondContact N-OH 3Å; I596-Y600 WeakPolarHBondContact O-CA 3.37Å; I596-Y600 WeakPolarHBondContact O-CB 3.21Å; I596-Y600 PolarHBondContact O-N 3.49Å; Y600-I602 PolarHBondContact O-N 3.35Å; Y600-W603 PolarHBondContact O-N 3.46Å; Y600-H604 HydrophobicContact CD1-CB 4.41Å; Y600-H604 AromaticContact CD2-CE1 3.85Å; Y600-H604 AromaticContact CD2-ND1 3.58Å; Y600-H604 HydrophobicContact CE1-CB 3.85Å; Y600-H604 HydrophobicContact CE2-CB 4.31Å; Y600-H604 AromaticContact CE2-CD2 3.98Å; Y600-H604 AromaticContact CE2-CE1 3.82Å; Y600-H604 AromaticContact CE2-CG 3.71Å; Y600-H604 AromaticContact CE2-ND1 3.61Å; Y600-H604 AromaticContact CZ-CG 3.72Å; Y600-H604 PolarHBondContact O-N 3.02Å; Y600-H604 VanDerWaalsContact O-N 3.12Å; Y600-H604 PolarHBondContact O-ND1 3.44Å
601G87.6Confident87.7Confident0 Ų052.3 Ų52.30%027%0.268CS..Iπ-helixtrans-60.4-48.7-167.600000114.4V371 I596 Y597 W603 H604 S605V371-G601 WeakPolarHBondContact O-CA 3.27Å; I596-G601 PolarHBondContact O-N 3.16Å; Y597-G601 CarbonylContact O-C 3.48Å; Y597-G601 WeakPolarHBondContact O-CA 3.33Å; Y597-G601 PolarHBondContact O-N 3.3Å; G601-W603 PolarHBondContact O-N 2.67Å; G601-W603 VanDerWaalsContact O-N 3.09Å; G601-H604 PolarHBondContact O-N 3.31Å; G601-H604 VanDerWaalsContact O-N 3.17Å; G601-S605 PolarHBondContact O-N 3.4Å
602I87.6Confident86.7Confident7 Ų757.7 Ų57.74%0.03628%0.277CS..Hα-helixtrans-61.4-24-179.6-163.2173.1000112.8F8 L12 Y597 F598 Y600 R608F8-I602 HydrophobicContact CD2-CD1 4.34Å; F8-I602 HydrophobicContact CE2-CD1 3.76Å; F8-I602 HydrophobicContact CZ-CD1 4.39Å; L12-I602 HydrophobicContact CD2-CD1 3.8Å; Y597-I602 HydrophobicContact CE1-CB 4.31Å; Y597-I602 PolarHBondContact O-N 3.11Å; F598-I602 WeakPolarHBondContact O-CG2 3.45Å; Y600-I602 PolarHBondContact O-N 3.35Å; I602-R608 WeakPolarHBondContact O-CD 3.15Å; I602-R608 PolarHBondContact O-NH1 3.46Å
603W85.2Confident85.6Confident151 Ų15162.1 Ų62.157%0.57229%0.291SS*.Hα-helixtrans-89.9-31.6179.9-58.698.9000113.1F598 Y600 G601 R608F598-W603 PolarHBondContact O-NE1 3.38Å; Y600-W603 PolarHBondContact O-N 3.46Å; G601-W603 PolarHBondContact O-N 2.67Å; G601-W603 VanDerWaalsContact O-N 3.09Å; W603-R608 VanDerWaalsContact CE3-NH2 3.25Å
604H86.4Confident84.6Confident73 Ų7366.5 Ų66.534%0.33831%0.314SS..Hα-helixtrans-104.9-1.4-173.8-67.683.4000114.5G370 Y600 G601 A606G370-H604 CarbonylContact O-C 3.4Å; Y600-H604 HydrophobicContact CD1-CB 4.41Å; Y600-H604 AromaticContact CD2-CE1 3.85Å; Y600-H604 AromaticContact CD2-ND1 3.58Å; Y600-H604 HydrophobicContact CE1-CB 3.85Å; Y600-H604 HydrophobicContact CE2-CB 4.31Å; Y600-H604 AromaticContact CE2-CD2 3.98Å; Y600-H604 AromaticContact CE2-CE1 3.82Å; Y600-H604 AromaticContact CE2-CG 3.71Å; Y600-H604 AromaticContact CE2-ND1 3.61Å; Y600-H604 AromaticContact CZ-CG 3.72Å; Y600-H604 PolarHBondContact O-N 3.02Å; Y600-H604 VanDerWaalsContact O-N 3.12Å; Y600-H604 PolarHBondContact O-ND1 3.44Å; G601-H604 PolarHBondContact O-N 3.31Å; G601-H604 VanDerWaalsContact O-N 3.17Å; H604-A606 PolarHBondContact O-N 2.87Å
605S87.3Confident83.3Confident0 Ų065.9 Ų65.90%032%0.321CS..  trans-48.2129174.6163.70000112.1E107 D369 G601 E607 R608 Q609E107-S605 WeakPolarHBondContact OE1-CB 3.41Å; E107-S605 PolarHBondContact OE1-OG 3.22Å; E107-S605 WeakPolarHBondContact OE2-CB 3.41Å; E107-S605 PolarHBondContact OE2-OG 3.48Å; D369-S605 WeakPolarHBondContact O-CA 3.36Å; G601-S605 PolarHBondContact O-N 3.4Å; S605-E607 VanDerWaalsContact C-N 3.29Å; S605-E607 PolarHBondContact O-N 2.96Å; S605-E607 PolarHBondContact OG-N 3.23Å; S605-R608 VanDerWaalsContact O-CB 3.29Å; S605-R608 WeakPolarHBondContact O-CB 3.49Å; S605-R608 PolarHBondContact O-N 3.23Å; S605-R608 VanDerWaalsContact O-N 3.17Å; S605-R608 PolarHBondContact OG-N 2.89Å; S605-Q609 PolarHBondContact O-N 2.95Å
606A82.4Confident82Confident22 Ų2265.7 Ų65.718%0.18232%0.316CS..Hα-helixtrans-61.8-37.6179.400000111.6D369 H604 R608 Q609 R610D369-A606 WeakPolarHBondContact O-CB 3.2Å; D369-A606 PolarHBondContact O-N 3.13Å; H604-A606 PolarHBondContact O-N 2.87Å; A606-R608 VanDerWaalsContact C-N 3.3Å; A606-R608 PolarHBondContact O-N 3.31Å; A606-Q609 WeakPolarHBondContact O-CB 3.24Å; A606-Q609 PolarHBondContact O-N 3.44Å; A606-Q609 VanDerWaalsContact O-N 3.1Å; A606-R610 WeakPolarHBondContact O-CG 3.43Å; A606-R610 PolarHBondContact O-N 3.32Å
607E81.5Confident80.6Confident16 Ų1665.5 Ų65.58%0.07533%0.325CS..Hα-helixtrans-67.4-32.1177.2-65.2-53.6148.200112S605 Q609 R610 H611S605-E607 VanDerWaalsContact C-N 3.29Å; S605-E607 PolarHBondContact O-N 2.96Å; S605-E607 PolarHBondContact OG-N 3.23Å; E607-Q609 VanDerWaalsContact C-N 3.32Å; E607-Q609 PolarHBondContact O-N 2.97Å; E607-R610 PolarHBondContact O-N 2.99Å; E607-R610 IonicContact OE1-CZ 3.64Å; E607-R610 IonicContact OE1-NH1 2.99Å; E607-R610 PolarHBondContact OE1-NH1 3.41Å; E607-R610 WeakPolarHBondContact OE2-CD 3.44Å; E607-R610 IonicContact OE2-NH1 2.65Å; E607-H611 PolarHBondContact O-CD2 3.25Å; E607-H611 PolarHBondContact O-N 3.24Å
608R80.8Confident79.2Confident39 Ų3967 Ų6715%0.14733%0.333CS..Hα-helixtrans-62.4-41.2170.1-169.2174.1174.5171.3-5112.1R14 I602 W603 S605 A606 R612R14-R608 VanDerWaalsContact NH1-CB 3.3Å; I602-R608 WeakPolarHBondContact O-CD 3.15Å; I602-R608 PolarHBondContact O-NH1 3.46Å; W603-R608 VanDerWaalsContact CE3-NH2 3.25Å; S605-R608 VanDerWaalsContact O-CB 3.29Å; S605-R608 WeakPolarHBondContact O-CB 3.49Å; S605-R608 PolarHBondContact O-N 3.23Å; S605-R608 VanDerWaalsContact O-N 3.17Å; S605-R608 PolarHBondContact OG-N 2.89Å; A606-R608 VanDerWaalsContact C-N 3.3Å; A606-R608 PolarHBondContact O-N 3.31Å; R608-R612 PolarHBondContact O-N 3.15Å
609Q80.1Confident77.9Confident84 Ų8466.2 Ų66.239%0.39334%0.338SS..Hα-helixtrans-69.1-41.1-179.9-64.6-173-18.700110.9S605 A606 E607 R612 Q613S605-Q609 PolarHBondContact O-N 2.95Å; A606-Q609 WeakPolarHBondContact O-CB 3.24Å; A606-Q609 PolarHBondContact O-N 3.44Å; A606-Q609 VanDerWaalsContact O-N 3.1Å; E607-Q609 VanDerWaalsContact C-N 3.32Å; E607-Q609 PolarHBondContact O-N 2.97Å; Q609-R612 PolarHBondContact O-N 3.19Å; Q609-Q613 WeakPolarHBondContact O-CG 3.34Å; Q609-Q613 PolarHBondContact O-N 3.21Å
610R76.6Confident76.9Confident111 Ų11167.6 Ų67.642%0.41933%0.331SS..Hα-helixtrans-58.8-53.7174.2-74171.8175.2-174.6-4.9112A606 E607 R612 Q613 D614A606-R610 WeakPolarHBondContact O-CG 3.43Å; A606-R610 PolarHBondContact O-N 3.32Å; E607-R610 PolarHBondContact O-N 2.99Å; E607-R610 IonicContact OE1-CZ 3.64Å; E607-R610 IonicContact OE1-NH1 2.99Å; E607-R610 PolarHBondContact OE1-NH1 3.41Å; E607-R610 WeakPolarHBondContact OE2-CD 3.44Å; E607-R610 IonicContact OE2-NH1 2.65Å; R610-R612 PolarHBondContact O-N 3.34Å; R610-R612 VanDerWaalsContact O-N 3.17Å; R610-Q613 WeakPolarHBondContact O-CA 3.45Å; R610-Q613 WeakPolarHBondContact O-CB 3.35Å; R610-Q613 PolarHBondContact O-N 3.12Å; R610-D614 PolarHBondContact O-N 2.93Å
611H71.6Confident75.6Confident74 Ų7467.8 Ų67.834%0.34334%0.342SS..Hα-helixtrans-57.3-35176.2-89.6-68.9000113.3E457 E607 A615E457-H611 IonicContact OE1-CE1 3.95Å; E457-H611 IonicContact OE2-CE1 3.37Å; E457-H611 PolarHBondContact OE2-CE1 2.97Å; E457-H611 IonicContact OE2-ND1 3.95Å; E607-H611 PolarHBondContact O-CD2 3.25Å; E607-H611 PolarHBondContact O-N 3.24Å; H611-A615 VanDerWaalsContact O-CB 3.23Å; H611-A615 WeakPolarHBondContact O-CB 3.38Å; H611-A615 PolarHBondContact O-N 3.19Å
612R72.9Confident74.6Confident163 Ų16371.9 Ų71.962%0.61536%0.364SS*.Hα-helixtrans-68.5-38.2175.1-87.1-175.3163.3-172.7-5.5112.7R608 Q609 R610 H616R608-R612 PolarHBondContact O-N 3.15Å; Q609-R612 PolarHBondContact O-N 3.19Å; R610-R612 PolarHBondContact O-N 3.34Å; R610-R612 VanDerWaalsContact O-N 3.17Å; R612-H616 PolarHBondContact O-N 2.89Å; R612-H616 VanDerWaalsContact O-N 3.13Å; R612-H616 PolarHBondContact O-ND1 3.32Å
613Q71.3Confident73.6Confident136 Ų13678 Ų7864%0.63639%0.392SS*.Hα-helixtrans-68.6-45.7176.2-74.9175.8-15.100111Q609 R610 A615 H616 G617Q609-Q613 WeakPolarHBondContact O-CG 3.34Å; Q609-Q613 PolarHBondContact O-N 3.21Å; R610-Q613 WeakPolarHBondContact O-CA 3.45Å; R610-Q613 WeakPolarHBondContact O-CB 3.35Å; R610-Q613 PolarHBondContact O-N 3.12Å; Q613-A615 VanDerWaalsContact C-N 3.34Å; Q613-A615 PolarHBondContact O-N 3.39Å; Q613-H616 PolarHBondContact O-N 3.09Å; Q613-G617 PolarHBondContact O-N 2.84Å
614D71.3Confident73Confident91 Ų9176.7 Ų76.749%0.48740%0.396SS..Hα-helixtrans-61.8-42.1177.2-65.9-28.6000111R610 H616 G617 N618R610-D614 PolarHBondContact O-N 2.93Å; D614-H616 PolarHBondContact O-N 3.35Å; D614-G617 PolarHBondContact O-N 2.92Å; D614-N618 WeakPolarHBondContact O-CB 3.42Å; D614-N618 PolarHBondContact O-N 3.45Å
615A68.8Low72.3Confident53 Ų5378 Ų7844%0.43841%0.406SS..Hα-helixtrans-65.4-34.917600000113.8H611 Q613 S619H611-A615 VanDerWaalsContact O-CB 3.23Å; H611-A615 WeakPolarHBondContact O-CB 3.38Å; H611-A615 PolarHBondContact O-N 3.19Å; Q613-A615 VanDerWaalsContact C-N 3.34Å; Q613-A615 PolarHBondContact O-N 3.39Å; A615-S619 WeakPolarHBondContact O-CB 3.15Å; A615-S619 PolarHBondContact O-N 2.83Å; A615-S619 PolarHBondContact O-OG 3.15Å
616H66.9Low71.6Confident131 Ų13184 Ų8461%0.60644%0.435SS*.Hα-helixtrans-70.6-47.4173-91.364.7000111.2R612 Q613 D614 N618 S619 D620R612-H616 PolarHBondContact O-N 2.89Å; R612-H616 VanDerWaalsContact O-N 3.13Å; R612-H616 PolarHBondContact O-ND1 3.32Å; Q613-H616 PolarHBondContact O-N 3.09Å; D614-H616 PolarHBondContact O-N 3.35Å; H616-N618 VanDerWaalsContact C-N 3.29Å; H616-N618 PolarHBondContact O-N 3.17Å; H616-S619 WeakPolarHBondContact O-CB 3.31Å; H616-S619 PolarHBondContact O-N 3.33Å; H616-S619 VanDerWaalsContact O-N 3.08Å; H616-D620 PolarHBondContact O-N 2.8Å
617G65.1Low71.3Confident39 Ų3989.3 Ų89.340%0.40245%0.454SS..Hα-helixtrans-59.3-38.5178.700000112.9Q613 D614 D620 A621Q613-G617 PolarHBondContact O-N 2.84Å; D614-G617 PolarHBondContact O-N 2.92Å; G617-D620 PolarHBondContact O-N 3.1Å; G617-A621 WeakPolarHBondContact O-CB 3.32Å; G617-A621 PolarHBondContact O-N 3.44Å
618N64Low70.9Confident33 Ų3390.7 Ų90.718%0.17647%0.468CS..Hα-helixtrans-72.1-33.3176.5-146.538.9000112.5E454 D614 H616 N622E454-N618 PolarHBondContact OE1-ND2 3.49Å; E454-N618 PolarHBondContact OE2-ND2 2.96Å; D614-N618 WeakPolarHBondContact O-CB 3.42Å; D614-N618 PolarHBondContact O-N 3.45Å; H616-N618 VanDerWaalsContact C-N 3.29Å; H616-N618 PolarHBondContact O-N 3.17Å; N618-N622 WeakPolarHBondContact O-CB 3.42Å; N618-N622 PolarHBondContact O-N 3.05Å; N618-N622 PolarHBondContact O-ND2 3.39Å
619S66.2Low70.8Confident67 Ų6793.3 Ų93.347%0.46948%0.484SS..Hα-helixtrans-66-42.9173.2-64.40000111.8A615 H616 N622 Q623A615-S619 WeakPolarHBondContact O-CB 3.15Å; A615-S619 PolarHBondContact O-N 2.83Å; A615-S619 PolarHBondContact O-OG 3.15Å; H616-S619 WeakPolarHBondContact O-CB 3.31Å; H616-S619 PolarHBondContact O-N 3.33Å; H616-S619 VanDerWaalsContact O-N 3.08Å; S619-N622 PolarHBondContact O-N 2.91Å; S619-Q623 WeakPolarHBondContact O-CG 3.3Å; S619-Q623 PolarHBondContact O-N 3.05Å
620D69Low70.6Confident86 Ų8694.9 Ų94.946%0.4649%0.492SS..Hα-helixtrans-65.8-42.2177.5-66.5-23.5000111.2H616 G617 Q623 L624H616-D620 PolarHBondContact O-N 2.8Å; G617-D620 PolarHBondContact O-N 3.1Å; D620-Q623 PolarHBondContact O-N 3.38Å; D620-L624 PolarHBondContact O-N 3.03Å
621A64.6Low70.6Confident47 Ų4793.9 Ų93.939%0.38849%0.494SS..Hα-helixtrans-63.4-42.9175.200000112.4G617 L624 N625G617-A621 WeakPolarHBondContact O-CB 3.32Å; G617-A621 PolarHBondContact O-N 3.44Å; A621-L624 PolarHBondContact O-N 3.48Å; A621-N625 WeakPolarHBondContact O-CB 3.28Å; A621-N625 PolarHBondContact O-N 3.27Å
622N66.4Low70.7Confident86 Ų8697.4 Ų97.446%0.4651%0.509SS..Hα-helixtrans-65-37.8175.8-83-21.8000112.2N618 S619 N625 M626N618-N622 WeakPolarHBondContact O-CB 3.42Å; N618-N622 PolarHBondContact O-N 3.05Å; N618-N622 PolarHBondContact O-ND2 3.39Å; S619-N622 PolarHBondContact O-N 2.91Å; N622-N625 PolarHBondContact O-N 3.12Å; N622-M626 WeakPolarHBondContact O-CB 3.32Å; N622-M626 PolarHBondContact O-N 2.89Å
623Q67.4Low70.5Confident136 Ų13695.2 Ų95.264%0.63651%0.506SS*.Hα-helixtrans-64.4-43.2173.6-77.7-176.16.300112.2S619 D620 M626 K627S619-Q623 WeakPolarHBondContact O-CG 3.3Å; S619-Q623 PolarHBondContact O-N 3.05Å; D620-Q623 PolarHBondContact O-N 3.38Å; Q623-M626 PolarHBondContact O-N 3.3Å; Q623-K627 WeakPolarHBondContact O-CB 3.28Å; Q623-K627 PolarHBondContact O-N 3.48Å
624L72.5Confident70.6Confident123 Ų12391.1 Ų91.164%0.64450%0.495SS*.Hα-helixtrans-61.1-44175-85155.6000112D620 A621 K627 A628D620-L624 PolarHBondContact O-N 3.03Å; A621-L624 PolarHBondContact O-N 3.48Å; L624-K627 PolarHBondContact O-N 2.75Å; L624-A628 PolarHBondContact O-N 3.47Å
625N72.6Confident70.7Confident102 Ų10293.1 Ų93.155%0.54550%0.502SS..Hα-helixtrans-67.8-39.7-179.8-144.711.6000111.4A621 N622 K627 A628 I629A621-N625 WeakPolarHBondContact O-CB 3.28Å; A621-N625 PolarHBondContact O-N 3.27Å; N622-N625 PolarHBondContact O-N 3.12Å; N625-K627 VanDerWaalsContact C-N 3.33Å; N625-K627 PolarHBondContact O-N 3.25Å; N625-A628 PolarHBondContact O-N 3.31Å; N625-I629 VanDerWaalsContact O-CG1 3.29Å; N625-I629 WeakPolarHBondContact O-CG1 3.4Å; N625-I629 PolarHBondContact O-N 3.02Å
626M71.2Confident70.8Confident125 Ų12594.3 Ų94.362%0.61650%0.503SS*.Hα-helixtrans-66.8-35.6176-160.8153.695.100112.1N622 Q623 I629 Q630N622-M626 WeakPolarHBondContact O-CB 3.32Å; N622-M626 PolarHBondContact O-N 2.89Å; Q623-M626 PolarHBondContact O-N 3.3Å; M626-I629 PolarHBondContact O-N 3.03Å; M626-Q630 WeakPolarHBondContact O-CG 3.18Å; M626-Q630 PolarHBondContact O-N 3.25Å
627K77.1Confident70.9Confident133 Ų13392.2 Ų92.258%0.57850%0.497SS*.Hα-helixtrans-66.3-43.5173.3-160.6173.8-176.1-178.80111.8Q623 L624 N625 I629 Q630 D631Q623-K627 WeakPolarHBondContact O-CB 3.28Å; Q623-K627 PolarHBondContact O-N 3.48Å; L624-K627 PolarHBondContact O-N 2.75Å; N625-K627 VanDerWaalsContact C-N 3.33Å; N625-K627 PolarHBondContact O-N 3.25Å; K627-I629 VanDerWaalsContact C-N 3.3Å; K627-I629 PolarHBondContact O-N 3.42Å; K627-Q630 PolarHBondContact O-N 3.42Å; K627-D631 VanDerWaalsContact O-CG 3.28Å; K627-D631 PolarHBondContact O-N 3Å
628A73.6Confident71.2Confident46 Ų4696.8 Ų96.838%0.3851%0.508SS..Hα-helixtrans-63.3-33.6175.300000113.2L624 N625 K632L624-A628 PolarHBondContact O-N 3.47Å; N625-A628 PolarHBondContact O-N 3.31Å; A628-K632 WeakPolarHBondContact O-CG 3.41Å; A628-K632 PolarHBondContact O-N 3.4Å; A628-K632 VanDerWaalsContact O-N 3.12Å
629I78.1Confident71.3Confident94 Ų9497.6 Ų97.648%0.48252%0.519SS..Hα-helixtrans-69-43.4173.4-68165000110.6N625 M626 K627 K632 Q633N625-I629 VanDerWaalsContact O-CG1 3.29Å; N625-I629 WeakPolarHBondContact O-CG1 3.4Å; N625-I629 PolarHBondContact O-N 3.02Å; M626-I629 PolarHBondContact O-N 3.03Å; K627-I629 VanDerWaalsContact C-N 3.3Å; K627-I629 PolarHBondContact O-N 3.42Å; I629-K632 PolarHBondContact O-N 3.47Å; I629-Q633 PolarHBondContact O-N 3.33Å
630Q74.8Confident71.2Confident116 Ų11699.7 Ų99.754%0.54252%0.521SS..Hα-helixtrans-63.2-41.9176.4-77.7179.5-23.200112.2M626 K627 Q633 A634M626-Q630 WeakPolarHBondContact O-CG 3.18Å; M626-Q630 PolarHBondContact O-N 3.25Å; K627-Q630 PolarHBondContact O-N 3.42Å; Q630-Q633 PolarHBondContact O-N 2.86Å; Q630-A634 PolarHBondContact O-N 3.47Å
631D76.8Confident71Confident90 Ų90102 Ų10248%0.48153%0.527SS..Hα-helixtrans-63.9-42.7177.3-68.7-21.6000110.9K627 Q633 A634 E635K627-D631 VanDerWaalsContact O-CG 3.28Å; K627-D631 PolarHBondContact O-N 3Å; D631-Q633 PolarHBondContact O-N 3.43Å; D631-A634 WeakPolarHBondContact O-CB 3.45Å; D631-A634 PolarHBondContact O-N 3.36Å; D631-E635 PolarHBondContact O-N 3.12Å
632K74.4Confident71Confident148 Ų148105.9 Ų105.964%0.64354%0.537SS*.Hα-helixtrans-63.3-38.9173.2-81.5-177.1176.7-179.20113.4A628 I629 A634 E635 T636A628-K632 WeakPolarHBondContact O-CG 3.41Å; A628-K632 PolarHBondContact O-N 3.4Å; A628-K632 VanDerWaalsContact O-N 3.12Å; I629-K632 PolarHBondContact O-N 3.47Å; K632-A634 VanDerWaalsContact C-N 3.33Å; K632-E635 PolarHBondContact O-N 2.92Å; K632-T636 WeakPolarHBondContact O-CB 3.47Å; K632-T636 PolarHBondContact O-N 3.45Å; K632-T636 PolarHBondContact O-OG1 2.85Å
633Q69Low70.5Confident117 Ų117108 Ų10855%0.54754%0.544SS..Hα-helixtrans-66.8-35.9174.8-99171.9-40.400111.8I629 Q630 D631 T636 N637I629-Q633 PolarHBondContact O-N 3.33Å; Q630-Q633 PolarHBondContact O-N 2.86Å; D631-Q633 PolarHBondContact O-N 3.43Å; Q633-T636 PolarHBondContact O-N 2.61Å; Q633-N637 WeakPolarHBondContact O-CB 3.19Å; Q633-N637 PolarHBondContact O-N 3.46Å; Q633-N637 PolarHBondContact O-ND2 3.32Å; Q633-N637 VanDerWaalsContact O-ND2 3.15Å
634A72.5Confident70.1Confident50 Ų50108.5 Ų108.541%0.41355%0.547SS..Hα-helixtrans-65.3-46.1174.200000111.7Q630 D631 K632 T636 N637 E638Q630-A634 PolarHBondContact O-N 3.47Å; D631-A634 WeakPolarHBondContact O-CB 3.45Å; D631-A634 PolarHBondContact O-N 3.36Å; K632-A634 VanDerWaalsContact C-N 3.33Å; A634-T636 VanDerWaalsContact C-N 3.34Å; A634-T636 PolarHBondContact O-N 3.02Å; A634-N637 PolarHBondContact O-N 3.48Å; A634-E638 PolarHBondContact O-N 3.42Å
635E73.5Confident69.4Low134 Ų134111.4 Ų111.463%0.62655%0.549SS*.Hα-helixtrans-61.1-40.6175.4-73.6179.1171.200112.2D631 K632 E638 A639D631-E635 PolarHBondContact O-N 3.12Å; K632-E635 PolarHBondContact O-N 2.92Å; E635-E638 PolarHBondContact O-N 2.94Å; E635-A639 WeakPolarHBondContact O-CB 3.42Å; E635-A639 PolarHBondContact O-N 2.84Å
636T71.7Confident68.5Low77 Ų77115.6 Ų115.647%0.47256%0.563SS.*Hα-helixtrans-66.6-42.3178.2-46.80000111.3K632 Q633 A634 A639 E640K632-T636 WeakPolarHBondContact O-CB 3.47Å; K632-T636 PolarHBondContact O-N 3.45Å; K632-T636 PolarHBondContact O-OG1 2.85Å; Q633-T636 PolarHBondContact O-N 2.61Å; A634-T636 VanDerWaalsContact C-N 3.34Å; A634-T636 PolarHBondContact O-N 3.02Å; T636-A639 PolarHBondContact O-N 3.34Å; T636-E640 PolarHBondContact O-N 2.64Å
637N69.6Low67.7Low88 Ų88115.8 Ų115.847%0.47157%0.565SS.*Hα-helixtrans-68.9-31.6177-71.1-22.5000112.6Q633 A634 K641Q633-N637 WeakPolarHBondContact O-CB 3.19Å; Q633-N637 PolarHBondContact O-N 3.46Å; Q633-N637 PolarHBondContact O-ND2 3.32Å; Q633-N637 VanDerWaalsContact O-ND2 3.15Å; A634-N637 PolarHBondContact O-N 3.48Å; N637-K641 WeakPolarHBondContact O-CB 3.38Å; N637-K641 WeakPolarHBondContact O-CG 3.47Å; N637-K641 PolarHBondContact O-N 2.8Å; N637-K641 VanDerWaalsContact O-N 3.14Å
638E70.3Confident66.2Low135 Ų135114.2 Ų114.263%0.63157%0.571SS**Hα-helixtrans-70.1-42.1172.2-80.8-172.3159.700111.7A634 E635 K641 E642A634-E638 PolarHBondContact O-N 3.42Å; E635-E638 PolarHBondContact O-N 2.94Å; E638-K641 PolarHBondContact O-N 3.04Å; E638-E642 PolarHBondContact O-N 3.17Å
639A65.9Low64.9Low50 Ų50117.1 Ų117.141%0.41359%0.586SS.*Hα-helixtrans-61.6-42.4174.500000112E635 T636 K641 E642 Q643E635-A639 WeakPolarHBondContact O-CB 3.42Å; E635-A639 PolarHBondContact O-N 2.84Å; T636-A639 PolarHBondContact O-N 3.34Å; A639-K641 PolarHBondContact O-N 3.07Å; A639-E642 PolarHBondContact O-N 3.17Å; A639-Q643 WeakPolarHBondContact O-CB 3.37Å; A639-Q643 PolarHBondContact O-N 3.1Å
640E65Low63.2Low111 Ų111120.4 Ų120.452%0.51960%0.604SS.*Hα-helixtrans-62.6-40.5174-77.7-177.2166.800112.1T636 Q643 E644T636-E640 PolarHBondContact O-N 2.64Å; E640-Q643 PolarHBondContact O-N 3.39Å; E640-E644 PolarHBondContact O-N 2.88Å
641K65Low61.8Low135 Ų135124 Ų12459%0.58762%0.618SS**Hα-helixtrans-68.7-30.1175.7-80.5178.6179.5176.30114.1N637 E638 A639 R645N637-K641 WeakPolarHBondContact O-CB 3.38Å; N637-K641 WeakPolarHBondContact O-CG 3.47Å; N637-K641 PolarHBondContact O-N 2.8Å; N637-K641 VanDerWaalsContact O-N 3.14Å; E638-K641 PolarHBondContact O-N 3.04Å; A639-K641 PolarHBondContact O-N 3.07Å; K641-R645 PolarHBondContact O-N 3.16Å
642E63.1Low60.4Low127 Ų127126.5 Ų126.559%0.59364%0.637SS**Hα-helixtrans-72.6-37.7171.1-77.9-167.9151.700111.4E638 A639 R645 F646E638-E642 PolarHBondContact O-N 3.17Å; A639-E642 PolarHBondContact O-N 3.17Å; E642-R645 PolarHBondContact O-N 3.23Å; E642-F646 PolarHBondContact O-N 2.92Å
643Q57Low59Low131 Ų131124.3 Ų124.361%0.61264%0.64SS**Hα-helixtrans-68-38.6177.4-150.41652.500112.1A639 E640 F646 I647A639-Q643 WeakPolarHBondContact O-CB 3.37Å; A639-Q643 PolarHBondContact O-N 3.1Å; E640-Q643 PolarHBondContact O-N 3.39Å; Q643-F646 PolarHBondContact O-N 3.25Å; Q643-I647 WeakPolarHBondContact O-CD1 3.21Å; Q643-I647 WeakPolarHBondContact O-CG1 3.26Å
644E58Low57.7Low147 Ų147127.9 Ų127.969%0.68766%0.657SS**Hα-helixtrans-66.8-32.6171.9-76.1-172.3155.200113E640 F646 I647E640-E644 PolarHBondContact O-N 2.88Å; E644-F646 VanDerWaalsContact C-N 3.28Å; E644-F646 PolarHBondContact O-N 3.42Å; E644-I647 PolarHBondContact O-N 3.39Å
645R57.4Low56Low183 Ų183135.4 Ų135.469%0.69170%0.704SS**Hα-helixtrans-67.4-26.5175.1-101.7-175.8-73.6-167.32.6113.4K641 E642K641-R645 PolarHBondContact O-N 3.16Å; E642-R645 PolarHBondContact O-N 3.23Å
646F54.8Low55.1Low190 Ų190135.5 Ų135.583%0.83371%0.708SS**THydrogen-bonded Turntrans-81.1-11.2175.1-96.6-86.3000114.1E642 Q643 E644E642-F646 PolarHBondContact O-N 2.92Å; Q643-F646 PolarHBondContact O-N 3.25Å; E644-F646 VanDerWaalsContact C-N 3.28Å; E644-F646 PolarHBondContact O-N 3.42Å
647I54.3Low54.2Low130 Ų130138.6 Ų138.667%0.66772%0.72SS**THydrogen-bonded Turntrans-105.816-176-56.7166000111.7Q643 E644 P649Q643-I647 WeakPolarHBondContact O-CD1 3.21Å; Q643-I647 WeakPolarHBondContact O-CG1 3.26Å; E644-I647 PolarHBondContact O-N 3.39Å; I647-P649 WeakPolarHBondContact O-CD 3.35Å
648S45.5Very low53.4Low99 Ų99141.4 Ų141.469%0.69273%0.734SS**  trans-75.9119.3171.9-150.30000110.5D650S648-D650 PolarHBondContact O-N 3.12Å
649P45.6Very low52.4Low107 Ų107141.8 Ų141.870%0.69574%0.74SS**  trans-76.1125.1-178.829.3-30.7000110.5I647 K651I647-P649 WeakPolarHBondContact O-CD 3.35Å; P649-K651 PolarHBondContact O-N 2.78Å
650D43.9Very low51.6Low163 Ų163147.5 Ų147.587%0.87276%0.761SS**  trans-52.6110.1169-123.2-19.7000109.7S648 T652S648-D650 PolarHBondContact O-N 3.12Å; D650-T652 PolarHBondContact O-N 3.19Å
651K44.6Very low50.7Low193 Ų193149.9 Ų149.984%0.83978%0.777SS**  trans-75.5105.3172-87.5-176.5176.3177.40108.6P649 S653P649-K651 PolarHBondContact O-N 2.78Å; K651-S653 PolarHBondContact O-N 2.87Å
652T47.9Very low49.6Very low141 Ų141151 Ų15187%0.86579%0.791SS**  trans-58.9121.9156.4220000110.3D650D650-T652 PolarHBondContact O-N 3.19Å
653S44.1Very low48.6Very low102 Ų102152.8 Ų152.871%0.71381%0.806SS**  trans-160116.2149.967.80000114K651K651-S653 PolarHBondContact O-N 2.87Å
654Q41.6Very low47.9Very low192 Ų192154.7 Ų154.790%0.89782%0.822SS**  trans79.3127141.9-67.4-177.3-15.500122.3
655C37.2Very low47Very low209 Ų209155.4 Ų155.4100%1.41283%0.834SS**  trans81.70170.9-74.60000118.4

Retrieved 655 of 655 residues in 435.1 ms (Link to these results)

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