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Katanin p60 ATPase-containing subunit A1

Catalytic subunit of a complex which severs microtubules in an ATP-dependent manner. Microtubule severing may promote rapid reorganization of cellular microtubule arrays and the release of microtubules from the centrosome following nucleation.

AlphaFold DB , UniProt , Accession G4VB10, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene KATNA1, Length 524 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
1M60Low87.4Confident130 Ų13070.2 Ų70.264%0.6437%0.372SS*.  0109.80-100.1172.8-83.200106.6Q35 K38M1-Q35 HydrophobicContact SD-CB 4.38Å; M1-K38 HydrophobicContact CE-CB 3.56Å; M1-K38 HydrophobicContact CE-CD 3.53Å; M1-K38 HydrophobicContact CE-CG 4.17Å; M1-K38 HydrophobicContact SD-CB 3.75Å; M1-K38 HydrophobicContact SD-CD 3.85Å; M1-K38 HydrophobicContact SD-CG 4.42Å
2S75.4Confident88Confident41 Ų4168.8 Ų68.829%0.28736%0.362SS..  trans-79.2135.7179.268.40000108.6S4 E5S2-S4 WeakPolarHBondContact CB-OG 3.25Å; S2-S4 PolarHBondContact O-N 2.98Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S2-S4 PolarHBondContact OG-OG 3.5Å; S2-E5 PolarHBondContact O-N 3.36Å; S2-E5 WeakPolarHBondContact OG-CG 3.19Å; S2-E5 PolarHBondContact OG-N 3.12Å; S2-E5 PolarHBondContact OG-OE1 3.21Å
3L85.3Confident88.6Confident80 Ų8063.5 Ų63.542%0.41933%0.334SS..Hα-helixtrans-56.4-29.4174.5-179.264.5000111.2E5 I6 V7 F39 W52L3-E5 PolarHBondContact O-N 2.96Å; L3-I6 PolarHBondContact O-N 3.36Å; L3-V7 WeakPolarHBondContact O-CG2 3.46Å; L3-V7 PolarHBondContact O-N 3.23Å; L3-V7 VanDerWaalsContact O-N 3.15Å; L3-F39 HydrophobicContact CD1-CE1 4.39Å; L3-F39 HydrophobicContact CD1-CZ 4.38Å; L3-W52 HydrophobicContact CD1-CH2 3.62Å; L3-W52 HydrophobicContact CD1-CZ2 3.98Å
4S87.9Confident89.2Confident80 Ų8067.1 Ų67.156%0.55934%0.341SS*.Hα-helixtrans-59.8-38.9174.242.10000113.7S2 I6 V7 E8S2-S4 WeakPolarHBondContact CB-OG 3.25Å; S2-S4 PolarHBondContact O-N 2.98Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S2-S4 PolarHBondContact OG-OG 3.5Å; S4-I6 VanDerWaalsContact C-N 3.33Å; S4-I6 PolarHBondContact O-N 3.37Å; S4-V7 PolarHBondContact O-N 2.68Å; S4-E8 WeakPolarHBondContact O-CB 3.36Å; S4-E8 PolarHBondContact O-N 3.28Å
5E89.8Confident89.6Confident90 Ų9069.7 Ų69.742%0.42135%0.351SS..Hα-helixtrans-64.4-39177.2-78.2153-136.200111.7S2 L3 N9S2-E5 PolarHBondContact O-N 3.36Å; S2-E5 WeakPolarHBondContact OG-CG 3.19Å; S2-E5 PolarHBondContact OG-N 3.12Å; S2-E5 PolarHBondContact OG-OE1 3.21Å; L3-E5 PolarHBondContact O-N 2.96Å; E5-N9 WeakPolarHBondContact O-CB 3.39Å; E5-N9 PolarHBondContact O-N 2.97Å; E5-N9 PolarHBondContact O-ND2 2.94Å
6I91.8Very high90Very high7 Ų767.6 Ų67.64%0.03634%0.341CS..Hα-helixtrans-65.5-46.8178.4-60.2173.1000109.7L3 S4 E8 N9 V10 Q35 L36 F39L3-I6 PolarHBondContact O-N 3.36Å; S4-I6 VanDerWaalsContact C-N 3.33Å; S4-I6 PolarHBondContact O-N 3.37Å; I6-E8 PolarHBondContact O-N 3.29Å; I6-N9 PolarHBondContact O-N 3.25Å; I6-V10 WeakPolarHBondContact O-CG2 3.49Å; I6-V10 PolarHBondContact O-N 2.8Å; I6-Q35 HydrophobicContact CD1-CB 4.3Å; I6-Q35 HydrophobicContact CG1-CB 3.76Å; I6-L36 HydrophobicContact CG2-CB 4.44Å; I6-F39 HydrophobicContact CD1-CB 3.87Å; I6-F39 HydrophobicContact CD1-CG 4.13Å
7V93.1Very high90.2Very high88 Ų8864.8 Ų64.853%0.53333%0.331SS..Hα-helixtrans-62.2-43.6179.7173.10000111.2L3 S4 V10 K11L3-V7 WeakPolarHBondContact O-CG2 3.46Å; L3-V7 PolarHBondContact O-N 3.23Å; L3-V7 VanDerWaalsContact O-N 3.15Å; S4-V7 PolarHBondContact O-N 2.68Å; V7-V10 PolarHBondContact O-N 3.3Å; V7-K11 WeakPolarHBondContact O-CB 3.11Å; V7-K11 PolarHBondContact O-N 3.26Å
8E93.7Very high90.3Very high86 Ų8669.8 Ų69.840%0.40236%0.358SS..Hα-helixtrans-64.6-43.8-179.9-17158.8-156.700111.6S4 I6 V10 K11 Q12S4-E8 WeakPolarHBondContact O-CB 3.36Å; S4-E8 PolarHBondContact O-N 3.28Å; I6-E8 PolarHBondContact O-N 3.29Å; E8-V10 PolarHBondContact O-N 3.27Å; E8-K11 PolarHBondContact O-N 3.2Å; E8-Q12 WeakPolarHBondContact O-CG 3.35Å; E8-Q12 PolarHBondContact O-N 3.04Å; E8-Q12 PolarHBondContact OE1-NE2 3.3Å
9N93.9Very high90.5Very high25 Ų2573.1 Ų73.113%0.13438%0.375CS..Hα-helixtrans-61.4-44.1176.1-77-40.1000112.2E5 I6 A13 Q35E5-N9 WeakPolarHBondContact O-CB 3.39Å; E5-N9 PolarHBondContact O-N 2.97Å; E5-N9 PolarHBondContact O-ND2 2.94Å; I6-N9 PolarHBondContact O-N 3.25Å; N9-A13 VanDerWaalsContact O-CB 3.32Å; N9-A13 WeakPolarHBondContact O-CB 3.05Å; N9-A13 PolarHBondContact O-N 3.26Å; N9-Q35 PolarHBondContact ND2-NE2 3.16Å; N9-Q35 PolarHBondContact ND2-OE1 2.87Å
10V94.5Very high90.5Very high19 Ų1971.3 Ų71.312%0.11538%0.375CS..Hα-helixtrans-65.9-39.1178.1171.90000111.3I6 V7 E8 A13 R14 L59I6-V10 WeakPolarHBondContact O-CG2 3.49Å; I6-V10 PolarHBondContact O-N 2.8Å; V7-V10 PolarHBondContact O-N 3.3Å; E8-V10 PolarHBondContact O-N 3.27Å; V10-A13 PolarHBondContact O-N 2.9Å; V10-R14 PolarHBondContact O-N 2.67Å; V10-R14 VanDerWaalsContact O-N 3.1Å; V10-L59 HydrophobicContact CG1-CD2 3.64Å; V10-L59 HydrophobicContact CG2-CD1 3.92Å; V10-L59 HydrophobicContact CG2-CD2 4.13Å
11K95.5Very high90.6Very high126 Ų12671.3 Ų71.355%0.54838%0.376SS..Hα-helixtrans-63.8-48.6177.4-173.4-175.6173.9-1660111.4V7 E8 A13 R14 E15V7-K11 WeakPolarHBondContact O-CB 3.11Å; V7-K11 PolarHBondContact O-N 3.26Å; E8-K11 PolarHBondContact O-N 3.2Å; K11-A13 VanDerWaalsContact C-N 3.31Å; K11-A13 PolarHBondContact O-N 2.89Å; K11-R14 PolarHBondContact O-N 3.29Å; K11-E15 WeakPolarHBondContact O-CB 3.43Å; K11-E15 PolarHBondContact O-N 3.17Å
12Q94.8Very high92.3Very high54 Ų5468 Ų6825%0.25236%0.357SS..Hα-helixtrans-62.8-38.8177.1-70.3-178.413.400111.5E8 R14 E15 L16 Y28E8-Q12 WeakPolarHBondContact O-CG 3.35Å; E8-Q12 PolarHBondContact O-N 3.04Å; E8-Q12 PolarHBondContact OE1-NE2 3.3Å; Q12-R14 PolarHBondContact O-N 3.35Å; Q12-E15 PolarHBondContact O-N 3.06Å; Q12-L16 WeakPolarHBondContact O-CB 3.1Å; Q12-L16 WeakPolarHBondContact O-CD1 3.21Å; Q12-L16 VanDerWaalsContact O-CG 3.27Å; Q12-L16 WeakPolarHBondContact O-CG 3.38Å; Q12-L16 PolarHBondContact O-N 3.13Å; Q12-Y28 HydrophobicContact CB-CD1 4.04Å; Q12-Y28 HydrophobicContact CB-CE1 4.14Å; Q12-Y28 HydrophobicContact CB-CG 4.22Å; Q12-Y28 PolarHBondContact OE1-OH 3.36Å
13A96Very high93.1Very high0 Ų072.3 Ų72.30%037%0.372CS..Hα-helixtrans-59.5-46.7176.300000112.4N9 V10 K11 A17 S25 Y29N9-A13 VanDerWaalsContact O-CB 3.32Å; N9-A13 WeakPolarHBondContact O-CB 3.05Å; N9-A13 PolarHBondContact O-N 3.26Å; V10-A13 PolarHBondContact O-N 2.9Å; K11-A13 VanDerWaalsContact C-N 3.31Å; K11-A13 PolarHBondContact O-N 2.89Å; A13-A17 WeakPolarHBondContact O-CB 3.44Å; A13-A17 PolarHBondContact O-N 3.41Å; A13-S25 WeakPolarHBondContact O-CB 3.25Å; A13-S25 PolarHBondContact O-OG 2.98Å; A13-Y29 HydrophobicContact CB-CD1 4.12Å; A13-Y29 HydrophobicContact CB-CD2 3.51Å; A13-Y29 HydrophobicContact CB-CE1 4.25Å; A13-Y29 HydrophobicContact CB-CE2 3.63Å; A13-Y29 HydrophobicContact CB-CG 3.74Å
14R97.2Very high93.5Very high113 Ų11370.6 Ų70.643%0.42637%0.367SS..Hα-helixtrans-67.2-42.1178.3-73.9176.3174.5172.7-2.1112.5V10 K11 Q12 A17 L18 Y29 E62V10-R14 PolarHBondContact O-N 2.67Å; V10-R14 VanDerWaalsContact O-N 3.1Å; K11-R14 PolarHBondContact O-N 3.29Å; Q12-R14 PolarHBondContact O-N 3.35Å; R14-A17 PolarHBondContact O-N 2.75Å; R14-L18 WeakPolarHBondContact O-CG 3.49Å; R14-L18 PolarHBondContact O-N 3.06Å; R14-Y29 VanDerWaalsContact CG-OH 3.28Å; R14-Y29 WeakPolarHBondContact CG-OH 3.39Å; R14-E62 IonicContact CZ-OE1 2.9Å; R14-E62 IonicContact CZ-OE2 3.49Å; R14-E62 IonicContact NE-OE1 2.83Å; R14-E62 IonicContact NE-OE2 3.57Å; R14-E62 PolarHBondContact NE-OE2 3.49Å; R14-E62 IonicContact NH2-OE1 2.63Å; R14-E62 PolarHBondContact NH2-OE1 3.48Å; R14-E62 IonicContact NH2-OE2 2.68Å; R14-E62 PolarHBondContact NH2-OE2 3.02Å
15E95.8Very high93.9Very high107 Ų10766.8 Ų66.850%0.534%0.34SS..Hα-helixtrans-61.9-45.4177.4-171.8173.517900111.4K11 Q12 A17 L18 L19K11-E15 WeakPolarHBondContact O-CB 3.43Å; K11-E15 PolarHBondContact O-N 3.17Å; Q12-E15 PolarHBondContact O-N 3.06Å; E15-A17 VanDerWaalsContact C-N 3.35Å; E15-A17 PolarHBondContact O-N 2.55Å; E15-L18 PolarHBondContact O-N 3.42Å; E15-L19 HydrophobicContact CG-CD1 4.29Å; E15-L19 WeakPolarHBondContact O-CG 3.08Å; E15-L19 PolarHBondContact O-N 2.8Å
16L95Very high94.2Very high35 Ų3563.6 Ų63.618%0.18333%0.326CS..Hα-helixtrans-65.9-35.3177-71.2166.9000113Q12 L19 G20 N21 Y28Q12-L16 WeakPolarHBondContact O-CB 3.1Å; Q12-L16 WeakPolarHBondContact O-CD1 3.21Å; Q12-L16 VanDerWaalsContact O-CG 3.27Å; Q12-L16 WeakPolarHBondContact O-CG 3.38Å; Q12-L16 PolarHBondContact O-N 3.13Å; L16-L19 PolarHBondContact O-N 2.76Å; L16-G20 PolarHBondContact O-N 3.32Å; L16-N21 HydrophobicContact CD2-CB 4.25Å; L16-N21 PolarHBondContact O-N 3.49Å; L16-Y28 HydrophobicContact CD1-CD2 3.38Å; L16-Y28 HydrophobicContact CD1-CE2 3.47Å; L16-Y28 VanDerWaalsContact CD1-CE2 3.47Å; L16-Y28 HydrophobicContact CD1-CG 4.47Å
17A93.8Very high94.4Very high20 Ų2067.3 Ų67.317%0.16535%0.349CS..Hα-helixtrans-64.2-40.7173.900000111.9A13 R14 E15 L19 G20 V66A13-A17 WeakPolarHBondContact O-CB 3.44Å; A13-A17 PolarHBondContact O-N 3.41Å; R14-A17 PolarHBondContact O-N 2.75Å; E15-A17 VanDerWaalsContact C-N 3.35Å; E15-A17 PolarHBondContact O-N 2.55Å; A17-L19 VanDerWaalsContact C-N 3.32Å; A17-G20 PolarHBondContact O-N 2.73Å; A17-V66 HydrophobicContact CB-CG2 4.15Å
18L92.5Very high94.5Very high156 Ų15666.9 Ų66.982%0.81734%0.338SS*.Hα-helixtrans-67-32.9176.3-71.5171.6000112.5R14 E15 G20R14-L18 WeakPolarHBondContact O-CG 3.49Å; R14-L18 PolarHBondContact O-N 3.06Å; E15-L18 PolarHBondContact O-N 3.42Å; L18-G20 VanDerWaalsContact C-N 3.25Å; L18-G20 PolarHBondContact O-N 3.45Å
19L93Very high94.7Very high131 Ų13163.2 Ų63.269%0.68632%0.321SS*.THydrogen-bonded Turntrans-80.81.1176.3-66173.1000113.7E15 L16 A17 N21E15-L19 HydrophobicContact CG-CD1 4.29Å; E15-L19 WeakPolarHBondContact O-CG 3.08Å; E15-L19 PolarHBondContact O-N 2.8Å; L16-L19 PolarHBondContact O-N 2.76Å; A17-L19 VanDerWaalsContact C-N 3.32Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 2.66Å
20G91.6Very high94.7Very high37 Ų3764.6 Ų64.638%0.38133%0.333SS..THydrogen-bonded Turntrans77.28.9179.400000115.2L16 A17 L18 Y22L16-G20 PolarHBondContact O-N 3.32Å; A17-G20 PolarHBondContact O-N 2.73Å; L18-G20 VanDerWaalsContact C-N 3.25Å; L18-G20 PolarHBondContact O-N 3.45Å; G20-Y22 VanDerWaalsContact O-CD2 3.31Å; G20-Y22 WeakPolarHBondContact O-CD2 3.32Å; G20-Y22 WeakPolarHBondContact O-CE2 3.37Å; G20-Y22 PolarHBondContact O-N 2.99Å
21N92.7Very high94.7Very high73 Ų7366.5 Ų66.539%0.3934%0.344SS..  trans-92.473176.8-170.1-16.8000110.6L16 L19 S24 S25L16-N21 HydrophobicContact CD2-CB 4.25Å; L16-N21 PolarHBondContact O-N 3.49Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 2.66Å; N21-S24 PolarHBondContact ND2-OG 2.76Å; N21-S24 VanDerWaalsContact OD1-CB 3.3Å; N21-S24 WeakPolarHBondContact OD1-CB 3.39Å; N21-S24 PolarHBondContact OD1-N 3.12Å; N21-S24 PolarHBondContact OD1-OG 3.04Å; N21-S25 WeakPolarHBondContact O-CB 3.41Å; N21-S25 PolarHBondContact O-N 2.86Å
22Y94.7Very high94.6Very high61 Ų6160.6 Ų60.624%0.23932%0.319CS..Hα-helixtrans-67.8-37.1-171-55.3-66.4000113.8G20 S24 S25 L26 V66 V69 L73G20-Y22 VanDerWaalsContact O-CD2 3.31Å; G20-Y22 WeakPolarHBondContact O-CD2 3.32Å; G20-Y22 WeakPolarHBondContact O-CE2 3.37Å; G20-Y22 PolarHBondContact O-N 2.99Å; Y22-S24 PolarHBondContact O-N 3.24Å; Y22-S25 WeakPolarHBondContact O-CB 3.33Å; Y22-S25 PolarHBondContact O-N 3.32Å; Y22-L26 WeakPolarHBondContact O-CB 3.48Å; Y22-L26 VanDerWaalsContact O-CG 3.26Å; Y22-L26 WeakPolarHBondContact O-CG 3.33Å; Y22-L26 PolarHBondContact O-N 2.78Å; Y22-V66 HydrophobicContact CD1-CG1 4.11Å; Y22-V69 HydrophobicContact CD1-CG1 4.15Å; Y22-V69 HydrophobicContact CD2-CG1 4.28Å; Y22-V69 HydrophobicContact CE1-CG1 3.72Å; Y22-V69 HydrophobicContact CE2-CG1 3.88Å; Y22-V69 HydrophobicContact CG-CG1 4.39Å; Y22-L73 HydrophobicContact CD2-CD1 3.44Å; Y22-L73 VanDerWaalsContact CD2-CD1 3.44Å; Y22-L73 HydrophobicContact CE2-CD1 3.17Å
23E92.4Very high94.6Very high131 Ų13159.2 Ų59.261%0.61231%0.313SS*.Hα-helixtrans-61.3-45.2178.1-68.5-17617200112.1T27E23-T27 PolarHBondContact O-N 3.16Å; E23-T27 PolarHBondContact O-OG1 3.24Å; E23-T27 VanDerWaalsContact O-OG1 3.05Å
24S94.1Very high94.5Very high43 Ų4361.5 Ų61.530%0.30133%0.332SS..Hα-helixtrans-67.5-43.4176.8-55.20000110.4N21 Y22 L26 T27 Y28N21-S24 PolarHBondContact ND2-OG 2.76Å; N21-S24 VanDerWaalsContact OD1-CB 3.3Å; N21-S24 WeakPolarHBondContact OD1-CB 3.39Å; N21-S24 PolarHBondContact OD1-N 3.12Å; N21-S24 PolarHBondContact OD1-OG 3.04Å; Y22-S24 PolarHBondContact O-N 3.24Å; S24-L26 PolarHBondContact O-N 3.35Å; S24-T27 WeakPolarHBondContact O-CB 3.43Å; S24-T27 PolarHBondContact O-N 3.25Å; S24-T27 VanDerWaalsContact O-N 3.13Å; S24-Y28 VanDerWaalsContact O-CD2 3.26Å; S24-Y28 WeakPolarHBondContact O-CD2 2.95Å; S24-Y28 PolarHBondContact O-N 3.46Å
25S95.9Very high94.2Very high0 Ų057.8 Ų57.80%032%0.32CS..Hα-helixtrans-55.5-47.6176178.80000112.7A13 N21 Y22 T27 Y28 Y29A13-S25 WeakPolarHBondContact O-CB 3.25Å; A13-S25 PolarHBondContact O-OG 2.98Å; N21-S25 WeakPolarHBondContact O-CB 3.41Å; N21-S25 PolarHBondContact O-N 2.86Å; Y22-S25 WeakPolarHBondContact O-CB 3.33Å; Y22-S25 PolarHBondContact O-N 3.32Å; S25-T27 VanDerWaalsContact C-N 3.26Å; S25-T27 PolarHBondContact O-N 3.28Å; S25-Y28 PolarHBondContact O-N 2.81Å; S25-Y28 VanDerWaalsContact O-N 3.16Å; S25-Y29 WeakPolarHBondContact O-CD2 3.39Å; S25-Y29 PolarHBondContact O-N 2.85Å
26L95.8Very high94Very high24 Ų2452.8 Ų52.813%0.12630%0.296CS..Hα-helixtrans-58.5-38.3177.5-73171.6000112.1Y22 S24 S30 Y63 V66 K67 N70Y22-L26 WeakPolarHBondContact O-CB 3.48Å; Y22-L26 VanDerWaalsContact O-CG 3.26Å; Y22-L26 WeakPolarHBondContact O-CG 3.33Å; Y22-L26 PolarHBondContact O-N 2.78Å; S24-L26 PolarHBondContact O-N 3.35Å; L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 3.14Å; L26-Y63 HydrophobicContact CB-CE2 4.23Å; L26-Y63 HydrophobicContact CD2-CD2 3.69Å; L26-Y63 HydrophobicContact CD2-CE2 3.44Å; L26-Y63 VanDerWaalsContact CD2-CE2 3.44Å; L26-Y63 HydrophobicContact CG-CE2 4.45Å; L26-V66 HydrophobicContact CD2-CB 4.17Å; L26-V66 HydrophobicContact CD2-CG1 3.8Å; L26-V66 HydrophobicContact CG-CG1 3.95Å; L26-K67 HydrophobicContact CD2-CB 3.8Å; L26-N70 HydrophobicContact CD1-CB 4Å
27T95.7Very high93.8Very high84 Ų8456.8 Ų56.852%0.51531%0.312SS..Hα-helixtrans-61.8-48.4176.8-55.90000110.7E23 S24 S25 S30 V31E23-T27 PolarHBondContact O-N 3.16Å; E23-T27 PolarHBondContact O-OG1 3.24Å; E23-T27 VanDerWaalsContact O-OG1 3.05Å; S24-T27 WeakPolarHBondContact O-CB 3.43Å; S24-T27 PolarHBondContact O-N 3.25Å; S24-T27 VanDerWaalsContact O-N 3.13Å; S25-T27 VanDerWaalsContact C-N 3.26Å; S25-T27 PolarHBondContact O-N 3.28Å; T27-S30 PolarHBondContact O-N 2.93Å; T27-S30 PolarHBondContact O-OG 3.16Å; T27-V31 WeakPolarHBondContact O-CG2 3.23Å; T27-V31 PolarHBondContact O-N 2.79Å; T27-V31 VanDerWaalsContact O-N 3.13Å
28Y96.3Very high93.6Very high80 Ų8062.1 Ų62.131%0.31433%0.332SS..Hα-helixtrans-65.5-41.8178.8-79.3-77.5000113.5Q12 L16 S24 S25 S30 V31 G32Q12-Y28 HydrophobicContact CB-CD1 4.04Å; Q12-Y28 HydrophobicContact CB-CE1 4.14Å; Q12-Y28 HydrophobicContact CB-CG 4.22Å; Q12-Y28 PolarHBondContact OE1-OH 3.36Å; L16-Y28 HydrophobicContact CD1-CD2 3.38Å; L16-Y28 HydrophobicContact CD1-CE2 3.47Å; L16-Y28 VanDerWaalsContact CD1-CE2 3.47Å; L16-Y28 HydrophobicContact CD1-CG 4.47Å; S24-Y28 VanDerWaalsContact O-CD2 3.26Å; S24-Y28 WeakPolarHBondContact O-CD2 2.95Å; S24-Y28 PolarHBondContact O-N 3.46Å; S25-Y28 PolarHBondContact O-N 2.81Å; S25-Y28 VanDerWaalsContact O-N 3.16Å; Y28-S30 VanDerWaalsContact C-N 3.32Å; Y28-S30 PolarHBondContact O-N 2.99Å; Y28-V31 PolarHBondContact O-N 2.88Å; Y28-G32 PolarHBondContact O-N 2.81Å
29Y96.5Very high93.5Very high8 Ų856.8 Ų56.83%0.03130%0.302CS..Hα-helixtrans-58.4-44.3172.9-88.7-67.5000111.4A13 R14 S25 V31 G32 L33 L59 E62 Y63 V66A13-Y29 HydrophobicContact CB-CD1 4.12Å; A13-Y29 HydrophobicContact CB-CD2 3.51Å; A13-Y29 HydrophobicContact CB-CE1 4.25Å; A13-Y29 HydrophobicContact CB-CE2 3.63Å; A13-Y29 HydrophobicContact CB-CG 3.74Å; R14-Y29 VanDerWaalsContact CG-OH 3.28Å; R14-Y29 WeakPolarHBondContact CG-OH 3.39Å; S25-Y29 WeakPolarHBondContact O-CD2 3.39Å; S25-Y29 PolarHBondContact O-N 2.85Å; Y29-V31 VanDerWaalsContact C-N 3.34Å; Y29-V31 PolarHBondContact O-N 3.19Å; Y29-G32 PolarHBondContact O-N 2.71Å; Y29-L33 WeakPolarHBondContact O-CB 3.31Å; Y29-L33 WeakPolarHBondContact O-CG 3.42Å; Y29-L33 PolarHBondContact O-N 3.27Å; Y29-L59 HydrophobicContact CE1-CD2 4.15Å; Y29-E62 HydrophobicContact CE1-CB 4Å; Y29-E62 PolarHBondContact OH-OE2 3.03Å; Y29-Y63 VanDerWaalsContact CB-CD2 3.46Å; Y29-Y63 HydrophobicContact CG-CD2 4.18Å; Y29-V66 HydrophobicContact CE2-CG2 4.02Å
30S94.8Very high93.2Very high55 Ų5550.8 Ų50.839%0.38527%0.271SS..Hα-helixtrans-61.3-41.5-179.979.80000112.4L26 T27 Y28 A34L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 3.14Å; T27-S30 PolarHBondContact O-N 2.93Å; T27-S30 PolarHBondContact O-OG 3.16Å; Y28-S30 VanDerWaalsContact C-N 3.32Å; Y28-S30 PolarHBondContact O-N 2.99Å; S30-A34 WeakPolarHBondContact O-CB 3.17Å; S30-A34 PolarHBondContact O-N 3.28Å; S30-A34 VanDerWaalsContact O-N 3.09Å
31V94.4Very high93Very high59 Ų5954.4 Ų54.436%0.35829%0.285SS..Hα-helixtrans-67.6-46.8176.8175.90000110.3T27 Y28 Y29 L33 A34 Q35T27-V31 WeakPolarHBondContact O-CG2 3.23Å; T27-V31 PolarHBondContact O-N 2.79Å; T27-V31 VanDerWaalsContact O-N 3.13Å; Y28-V31 PolarHBondContact O-N 2.88Å; Y29-V31 VanDerWaalsContact C-N 3.34Å; Y29-V31 PolarHBondContact O-N 3.19Å; V31-L33 PolarHBondContact O-N 3.08Å; V31-A34 PolarHBondContact O-N 3.42Å; V31-Q35 HydrophobicContact CG1-CG 4.48Å; V31-Q35 WeakPolarHBondContact O-CG 3.48Å; V31-Q35 PolarHBondContact O-N 2.86Å
32G94.2Very high92.7Very high1 Ų155.1 Ų55.11%0.0130%0.296CS..Hα-helixtrans-58.9-4717800000112.7Y28 Y29 A34 Q35 L36Y28-G32 PolarHBondContact O-N 2.81Å; Y29-G32 PolarHBondContact O-N 2.71Å; G32-A34 VanDerWaalsContact C-N 3.35Å; G32-A34 PolarHBondContact O-N 2.89Å; G32-Q35 PolarHBondContact O-N 3.41Å; G32-L36 VanDerWaalsContact O-CB 3.26Å; G32-L36 WeakPolarHBondContact O-CB 3.32Å; G32-L36 PolarHBondContact O-N 3.05Å
33L94.5Very high92.3Very high25 Ų2553.3 Ų53.313%0.13129%0.29CS..Hα-helixtrans-63.4-37.9176.9-75.4170.8000112.4Y29 V31 L36 K37 R56 L59 Y63Y29-L33 WeakPolarHBondContact O-CB 3.31Å; Y29-L33 WeakPolarHBondContact O-CG 3.42Å; Y29-L33 PolarHBondContact O-N 3.27Å; V31-L33 PolarHBondContact O-N 3.08Å; L33-L36 PolarHBondContact O-N 3.45Å; L33-K37 WeakPolarHBondContact O-CB 3.43Å; L33-K37 PolarHBondContact O-N 3.18Å; L33-R56 HydrophobicContact CD2-CG 4.3Å; L33-L59 HydrophobicContact CD2-CB 3.79Å; L33-Y63 HydrophobicContact CD1-CG 4.19Å
34A92.9Very high91.8Very high49 Ų4952.7 Ų52.741%0.40530%0.3SS..Hα-helixtrans-67.6-42.1176.600000112.2S30 V31 G32 K38S30-A34 WeakPolarHBondContact O-CB 3.17Å; S30-A34 PolarHBondContact O-N 3.28Å; S30-A34 VanDerWaalsContact O-N 3.09Å; V31-A34 PolarHBondContact O-N 3.42Å; G32-A34 VanDerWaalsContact C-N 3.35Å; G32-A34 PolarHBondContact O-N 2.89Å; A34-K38 WeakPolarHBondContact O-CG 3.45Å; A34-K38 PolarHBondContact O-N 3.23Å
35Q92.3Very high91.6Very high35 Ų3555.4 Ų55.416%0.16431%0.308CS..Hα-helixtrans-65.5-43.4174.4-69.4176.9-13.700111.2M1 I6 N9 V31 G32 K37 K38 F39M1-Q35 HydrophobicContact SD-CB 4.38Å; I6-Q35 HydrophobicContact CD1-CB 4.3Å; I6-Q35 HydrophobicContact CG1-CB 3.76Å; N9-Q35 PolarHBondContact ND2-NE2 3.16Å; N9-Q35 PolarHBondContact ND2-OE1 2.87Å; V31-Q35 HydrophobicContact CG1-CG 4.48Å; V31-Q35 WeakPolarHBondContact O-CG 3.48Å; V31-Q35 PolarHBondContact O-N 2.86Å; G32-Q35 PolarHBondContact O-N 3.41Å; Q35-K37 PolarHBondContact O-N 3.04Å; Q35-K38 PolarHBondContact O-N 3.11Å; Q35-F39 PolarHBondContact O-N 3.09Å
36L91.7Very high91Very high1 Ų159 Ų591%0.00534%0.338CS..Hα-helixtrans-61.3-43.7177.5-176.460.5000111.6I6 G32 L33 K38 F39 T40 W52 V55 R56 L59I6-L36 HydrophobicContact CG2-CB 4.44Å; G32-L36 VanDerWaalsContact O-CB 3.26Å; G32-L36 WeakPolarHBondContact O-CB 3.32Å; G32-L36 PolarHBondContact O-N 3.05Å; L33-L36 PolarHBondContact O-N 3.45Å; L36-K38 VanDerWaalsContact C-N 3.3Å; L36-K38 PolarHBondContact O-N 2.81Å; L36-F39 HydrophobicContact CD1-CD1 4.48Å; L36-F39 WeakPolarHBondContact O-CB 3.29Å; L36-F39 PolarHBondContact O-N 3.29Å; L36-F39 VanDerWaalsContact O-N 3.1Å; L36-T40 PolarHBondContact O-N 3.18Å; L36-T40 PolarHBondContact O-OG1 3.39Å; L36-W52 HydrophobicContact CD1-CD2 4.45Å; L36-W52 HydrophobicContact CD1-CE3 3.51Å; L36-W52 HydrophobicContact CD1-CZ3 3.8Å; L36-V55 HydrophobicContact CD2-CG1 4.5Å; L36-R56 HydrophobicContact CD2-CB 3.63Å; L36-R56 HydrophobicContact CD2-CG 4.04Å; L36-R56 HydrophobicContact CG-CB 4.28Å; L36-L59 HydrophobicContact CD2-CD1 3.84Å
37K90.8Very high90.5Very high119 Ų11963.9 Ų63.952%0.51736%0.364SS..Hα-helixtrans-56.2-43.8174.6-177.9-179.8178-178.50111.8L33 Q35 V41L33-K37 WeakPolarHBondContact O-CB 3.43Å; L33-K37 PolarHBondContact O-N 3.18Å; Q35-K37 PolarHBondContact O-N 3.04Å; K37-V41 WeakPolarHBondContact O-CG2 3.35Å; K37-V41 PolarHBondContact O-N 2.95Å
38K89.5Confident90Very high133 Ų13366.6 Ų66.658%0.57837%0.365SS*.Hα-helixtrans-67.6-38.9176.8-65.3177.3-173.9177.90111.5M1 A34 Q35 L36 V41 S42M1-K38 HydrophobicContact CE-CB 3.56Å; M1-K38 HydrophobicContact CE-CD 3.53Å; M1-K38 HydrophobicContact CE-CG 4.17Å; M1-K38 HydrophobicContact SD-CB 3.75Å; M1-K38 HydrophobicContact SD-CD 3.85Å; M1-K38 HydrophobicContact SD-CG 4.42Å; A34-K38 WeakPolarHBondContact O-CG 3.45Å; A34-K38 PolarHBondContact O-N 3.23Å; Q35-K38 PolarHBondContact O-N 3.11Å; L36-K38 VanDerWaalsContact C-N 3.3Å; L36-K38 PolarHBondContact O-N 2.81Å; K38-V41 PolarHBondContact O-N 3.25Å; K38-S42 PolarHBondContact O-N 2.89Å
39F88.8Confident89.7Confident43 Ų4366.8 Ų66.819%0.18937%0.367CS..Hα-helixtrans-62.8-46.1176.2-174.7-107000111.9L3 I6 Q35 L36 V41 S42 I43 W52L3-F39 HydrophobicContact CD1-CE1 4.39Å; L3-F39 HydrophobicContact CD1-CZ 4.38Å; I6-F39 HydrophobicContact CD1-CB 3.87Å; I6-F39 HydrophobicContact CD1-CG 4.13Å; Q35-F39 PolarHBondContact O-N 3.09Å; L36-F39 HydrophobicContact CD1-CD1 4.48Å; L36-F39 WeakPolarHBondContact O-CB 3.29Å; L36-F39 PolarHBondContact O-N 3.29Å; L36-F39 VanDerWaalsContact O-N 3.1Å; F39-V41 PolarHBondContact O-N 3.39Å; F39-S42 PolarHBondContact O-N 2.96Å; F39-S42 PolarHBondContact O-OG 2.78Å; F39-I43 HydrophobicContact CD1-CD1 4.06Å; F39-I43 HydrophobicContact CE1-CD1 3.78Å; F39-I43 HydrophobicContact CE1-CG1 4.44Å; F39-I43 HydrophobicContact CZ-CD1 4.41Å; F39-W52 HydrophobicContact CD1-CD2 4.26Å; F39-W52 AromaticContact CE1-CD2 3.99Å; F39-W52 HydrophobicContact CE1-CD2 3.99Å; F39-W52 AromaticContact CE1-CE2 3.56Å; F39-W52 HydrophobicContact CE1-CG 4.41Å; F39-W52 HydrophobicContact CE1-CH2 4.38Å; F39-W52 AromaticContact CE1-CZ2 3.77Å; F39-W52 HydrophobicContact CE1-CZ2 3.77Å; F39-W52 AromaticContact CE1-NE1 3.77Å
40T87.9Confident89.3Confident6 Ų672.2 Ų72.24%0.03739%0.393CS..Hα-helixtrans-60.4-30.4178-44.80000113.1L36 S42 K49 W52 Q53L36-T40 PolarHBondContact O-N 3.18Å; L36-T40 PolarHBondContact O-OG1 3.39Å; T40-S42 VanDerWaalsContact C-N 3.33Å; T40-K49 HydrophobicContact CG2-CG 3.93Å; T40-W52 HydrophobicContact CG2-CB 4.42Å; T40-Q53 HydrophobicContact CG2-CG 4Å
41V86.6Confident89.1Confident113 Ų11375.7 Ų75.769%0.68540%0.403SS*.Hα-helixtrans-71.4-29.2176174.20000111.8K37 K38 F39 I43K37-V41 WeakPolarHBondContact O-CG2 3.35Å; K37-V41 PolarHBondContact O-N 2.95Å; K38-V41 PolarHBondContact O-N 3.25Å; F39-V41 PolarHBondContact O-N 3.39Å; V41-I43 VanDerWaalsContact C-N 3.3Å; V41-I43 PolarHBondContact O-N 3.34Å
42S86.3Confident88.9Confident87 Ų8775.9 Ų75.961%0.60840%0.398SS*.Hα-helixtrans-78-10.1179.7710000114.7K38 F39 T40K38-S42 PolarHBondContact O-N 2.89Å; F39-S42 PolarHBondContact O-N 2.96Å; F39-S42 PolarHBondContact O-OG 2.78Å; T40-S42 VanDerWaalsContact C-N 3.33Å
43I87Confident88.8Confident23 Ų2380.6 Ų80.612%0.11842%0.42CS..  trans-87120-177-59.3174.2000110.1F39 V41 E45 R48 K49 W52F39-I43 HydrophobicContact CD1-CD1 4.06Å; F39-I43 HydrophobicContact CE1-CD1 3.78Å; F39-I43 HydrophobicContact CE1-CG1 4.44Å; F39-I43 HydrophobicContact CZ-CD1 4.41Å; V41-I43 VanDerWaalsContact C-N 3.3Å; V41-I43 PolarHBondContact O-N 3.34Å; I43-E45 HydrophobicContact CG2-CB 4.48Å; I43-R48 HydrophobicContact CG2-CB 3.85Å; I43-K49 HydrophobicContact CG2-CB 4.19Å; I43-W52 HydrophobicContact CD1-CB 4.23Å; I43-W52 HydrophobicContact CD1-CG 3.81Å
44S82.4Confident88.6Confident119 Ų11982.9 Ų82.983%0.83244%0.435SS*.  trans-82.4-32.617752.10000113.6A46S44-A46 PolarHBondContact O-N 2.87Å
45E88.8Confident88.6Confident100 Ų10083 Ų8347%0.46743%0.43SS..  trans-73.8121.2-178.8-69.8178.6163.100112.1I43 N47 R48 K49I43-E45 HydrophobicContact CG2-CB 4.48Å; E45-N47 PolarHBondContact O-N 2.94Å; E45-R48 HydrophobicContact CB-CB 4.21Å; E45-R48 PolarHBondContact O-N 2.92Å; E45-R48 IonicContact OE1-NH1 3.92Å; E45-R48 WeakPolarHBondContact OE2-CD 3.28Å; E45-R48 IonicContact OE2-CZ 3.51Å; E45-R48 IonicContact OE2-NE 3.55Å; E45-R48 IonicContact OE2-NH1 2.83Å; E45-R48 PolarHBondContact OE2-NH1 3.45Å; E45-K49 WeakPolarHBondContact O-CB 3.33Å; E45-K49 PolarHBondContact O-N 3.19Å
46A83.5Confident88.7Confident76 Ų7685.7 Ų85.763%0.62844%0.439SS*.Hα-helixtrans-59.6-44.9-176.700000113.5S44 K49 Q50S44-A46 PolarHBondContact O-N 2.87Å; A46-K49 WeakPolarHBondContact O-CB 3.4Å; A46-K49 PolarHBondContact O-N 2.98Å; A46-Q50 PolarHBondContact O-N 3.03Å
47N85.5Confident88.7Confident126 Ų12690.7 Ų90.767%0.67446%0.462SS*.Hα-helixtrans-63.2-45.3-179-71.1-20.1000112.1E45 K49 Q50 Q51E45-N47 PolarHBondContact O-N 2.94Å; N47-K49 VanDerWaalsContact C-N 3.34Å; N47-Q50 PolarHBondContact O-N 2.99Å; N47-Q51 PolarHBondContact O-N 3.09Å; N47-Q51 VanDerWaalsContact O-N 3.09Å
48R85.8Confident88.9Confident140 Ų14090.1 Ų90.153%0.52846%0.461SS..Hα-helixtrans-64.9-41.2175.6-80-164.3169.4140.9-15111.6I43 E45 Q50 Q51 W52I43-R48 HydrophobicContact CG2-CB 3.85Å; E45-R48 HydrophobicContact CB-CB 4.21Å; E45-R48 PolarHBondContact O-N 2.92Å; E45-R48 IonicContact OE1-NH1 3.92Å; E45-R48 WeakPolarHBondContact OE2-CD 3.28Å; E45-R48 IonicContact OE2-CZ 3.51Å; E45-R48 IonicContact OE2-NE 3.55Å; E45-R48 IonicContact OE2-NH1 2.83Å; E45-R48 PolarHBondContact OE2-NH1 3.45Å; R48-Q50 VanDerWaalsContact C-N 3.25Å; R48-Q50 PolarHBondContact O-N 2.99Å; R48-Q51 PolarHBondContact O-N 3.08Å; R48-W52 PolarHBondContact O-N 2.6Å
49K89.4Confident89.2Confident84 Ų8484.3 Ų84.337%0.36544%0.436SS..Hα-helixtrans-58.9-40.6177.3-169174.9-176.5173.80111.2T40 I43 E45 A46 N47 W52 Q53T40-K49 HydrophobicContact CG2-CG 3.93Å; I43-K49 HydrophobicContact CG2-CB 4.19Å; E45-K49 WeakPolarHBondContact O-CB 3.33Å; E45-K49 PolarHBondContact O-N 3.19Å; A46-K49 WeakPolarHBondContact O-CB 3.4Å; A46-K49 PolarHBondContact O-N 2.98Å; N47-K49 VanDerWaalsContact C-N 3.34Å; K49-W52 PolarHBondContact O-N 3.23Å; K49-Q53 VanDerWaalsContact O-CG 3.29Å; K49-Q53 WeakPolarHBondContact O-CG 3.36Å; K49-Q53 PolarHBondContact O-N 3.11Å
50Q88.7Confident89.5Confident123 Ų12384.1 Ų84.158%0.57544%0.439SS*.Hα-helixtrans-64.8-45.4175.4-171.7177-3.600112.3A46 N47 R48 W52 Q53 T54A46-Q50 PolarHBondContact O-N 3.03Å; N47-Q50 PolarHBondContact O-N 2.99Å; R48-Q50 VanDerWaalsContact C-N 3.25Å; R48-Q50 PolarHBondContact O-N 2.99Å; Q50-W52 VanDerWaalsContact C-N 3.34Å; Q50-W52 PolarHBondContact O-N 3.27Å; Q50-Q53 WeakPolarHBondContact O-CB 3.41Å; Q50-Q53 PolarHBondContact O-N 3.4Å; Q50-Q53 VanDerWaalsContact O-N 3.1Å; Q50-T54 PolarHBondContact O-N 3.32Å; Q50-T54 PolarHBondContact O-OG1 3.17Å
51Q89.6Confident89.8Confident127 Ų12787.8 Ų87.859%0.59346%0.458SS*.Hα-helixtrans-58.6-44.8175.9-71.1175.3-1200112.1N47 R48 Q53 T54 V55N47-Q51 PolarHBondContact O-N 3.09Å; N47-Q51 VanDerWaalsContact O-N 3.09Å; R48-Q51 PolarHBondContact O-N 3.08Å; Q51-Q53 VanDerWaalsContact C-N 3.28Å; Q51-Q53 PolarHBondContact O-N 3.39Å; Q51-T54 WeakPolarHBondContact O-CB 3.31Å; Q51-T54 PolarHBondContact O-N 2.82Å; Q51-V55 WeakPolarHBondContact O-CG2 3.47Å; Q51-V55 PolarHBondContact O-N 2.84Å
52W91.9Very high90.1Very high64 Ų6484.9 Ų84.924%0.24244%0.437CS..Hα-helixtrans-69.2-26176.9-77.8107.9000113.3L3 L36 F39 T40 I43 R48 K49 Q50 V55 R56L3-W52 HydrophobicContact CD1-CH2 3.62Å; L3-W52 HydrophobicContact CD1-CZ2 3.98Å; L36-W52 HydrophobicContact CD1-CD2 4.45Å; L36-W52 HydrophobicContact CD1-CE3 3.51Å; L36-W52 HydrophobicContact CD1-CZ3 3.8Å; F39-W52 HydrophobicContact CD1-CD2 4.26Å; F39-W52 AromaticContact CE1-CD2 3.99Å; F39-W52 HydrophobicContact CE1-CD2 3.99Å; F39-W52 AromaticContact CE1-CE2 3.56Å; F39-W52 HydrophobicContact CE1-CG 4.41Å; F39-W52 HydrophobicContact CE1-CH2 4.38Å; F39-W52 AromaticContact CE1-CZ2 3.77Å; F39-W52 HydrophobicContact CE1-CZ2 3.77Å; F39-W52 AromaticContact CE1-NE1 3.77Å; T40-W52 HydrophobicContact CG2-CB 4.42Å; I43-W52 HydrophobicContact CD1-CB 4.23Å; I43-W52 HydrophobicContact CD1-CG 3.81Å; R48-W52 PolarHBondContact O-N 2.6Å; K49-W52 PolarHBondContact O-N 3.23Å; Q50-W52 VanDerWaalsContact C-N 3.34Å; Q50-W52 PolarHBondContact O-N 3.27Å; W52-V55 HydrophobicContact CE3-CB 4.31Å; W52-V55 HydrophobicContact CE3-CG1 4.31Å; W52-V55 HydrophobicContact CZ3-CG1 4.29Å; W52-R56 WeakPolarHBondContact O-CB 3.37Å; W52-R56 PolarHBondContact O-N 2.96Å
53Q90.6Very high90.6Very high100 Ų10083.3 Ų83.347%0.46742%0.418SS..Hα-helixtrans-68.6-40.1169.6-78.2176.3-30.400111.7T40 K49 Q50 Q51 R56 Q57T40-Q53 HydrophobicContact CG2-CG 4Å; K49-Q53 VanDerWaalsContact O-CG 3.29Å; K49-Q53 WeakPolarHBondContact O-CG 3.36Å; K49-Q53 PolarHBondContact O-N 3.11Å; Q50-Q53 WeakPolarHBondContact O-CB 3.41Å; Q50-Q53 PolarHBondContact O-N 3.4Å; Q50-Q53 VanDerWaalsContact O-N 3.1Å; Q51-Q53 VanDerWaalsContact C-N 3.28Å; Q51-Q53 PolarHBondContact O-N 3.39Å; Q53-R56 PolarHBondContact O-N 3.47Å; Q53-Q57 PolarHBondContact O-N 3.23Å
54T91.9Very high91Very high73 Ų7385.5 Ų85.545%0.44843%0.428SS..Hα-helixtrans-60.9-50.1173.6-53.30000111.3Q50 Q51 R56 Q57 E58Q50-T54 PolarHBondContact O-N 3.32Å; Q50-T54 PolarHBondContact O-OG1 3.17Å; Q51-T54 WeakPolarHBondContact O-CB 3.31Å; Q51-T54 PolarHBondContact O-N 2.82Å; T54-R56 PolarHBondContact O-N 2.84Å; T54-Q57 WeakPolarHBondContact O-CA 3.46Å; T54-Q57 WeakPolarHBondContact O-CB 3.39Å; T54-Q57 PolarHBondContact O-N 2.79Å; T54-E58 PolarHBondContact O-N 2.76Å
55V92.6Very high91.6Very high52 Ų5285.3 Ų85.332%0.31542%0.417SS..Hα-helixtrans-58.4-38.9176.8173.90000111.5L36 Q51 W52 Q57 E58 L59L36-V55 HydrophobicContact CD2-CG1 4.5Å; Q51-V55 WeakPolarHBondContact O-CG2 3.47Å; Q51-V55 PolarHBondContact O-N 2.84Å; W52-V55 HydrophobicContact CE3-CB 4.31Å; W52-V55 HydrophobicContact CE3-CG1 4.31Å; W52-V55 HydrophobicContact CZ3-CG1 4.29Å; V55-Q57 VanDerWaalsContact C-N 3.34Å; V55-E58 PolarHBondContact O-N 2.96Å; V55-L59 HydrophobicContact CG1-CD1 4.07Å; V55-L59 WeakPolarHBondContact O-CB 3.39Å; V55-L59 WeakPolarHBondContact O-CG 3.41Å; V55-L59 PolarHBondContact O-N 3.15Å
56R93Very high91.8Very high91 Ų9181.3 Ų81.334%0.34340%0.399SS..Hα-helixtrans-65.2-37.9176-177.7177.4167.3-143.2-12.8112.1L33 L36 W52 Q53 T54 T60L33-R56 HydrophobicContact CD2-CG 4.3Å; L36-R56 HydrophobicContact CD2-CB 3.63Å; L36-R56 HydrophobicContact CD2-CG 4.04Å; L36-R56 HydrophobicContact CG-CB 4.28Å; W52-R56 WeakPolarHBondContact O-CB 3.37Å; W52-R56 PolarHBondContact O-N 2.96Å; Q53-R56 PolarHBondContact O-N 3.47Å; T54-R56 PolarHBondContact O-N 2.84Å; R56-T60 WeakPolarHBondContact O-CB 3.49Å; R56-T60 PolarHBondContact O-N 3.49Å; R56-T60 PolarHBondContact O-OG1 3.46Å
57Q93.3Very high92.3Very high106 Ų10680.4 Ų80.450%0.49538%0.381SS..Hα-helixtrans-65.4-49.2176.6-172.659.744.600110.5Q53 T54 V55 L59 T60 D61Q53-Q57 PolarHBondContact O-N 3.23Å; T54-Q57 WeakPolarHBondContact O-CA 3.46Å; T54-Q57 WeakPolarHBondContact O-CB 3.39Å; T54-Q57 PolarHBondContact O-N 2.79Å; V55-Q57 VanDerWaalsContact C-N 3.34Å; Q57-L59 VanDerWaalsContact C-N 3.33Å; Q57-L59 PolarHBondContact O-N 3.28Å; Q57-T60 WeakPolarHBondContact O-CA 3.45Å; Q57-T60 WeakPolarHBondContact O-CB 3.44Å; Q57-T60 PolarHBondContact O-N 3.22Å; Q57-D61 PolarHBondContact NE2-OD1 3.24Å; Q57-D61 VanDerWaalsContact O-CG 3.29Å; Q57-D61 PolarHBondContact O-N 3.44Å
58E94.1Very high92.7Very high107 Ų10778.3 Ų78.350%0.537%0.37SS..Hα-helixtrans-56.2-45177.2-68.6171.9-175.300112.1T54 V55 T60 D61 E62T54-E58 PolarHBondContact O-N 2.76Å; V55-E58 PolarHBondContact O-N 2.96Å; E58-T60 VanDerWaalsContact C-N 3.29Å; E58-T60 PolarHBondContact O-N 3.34Å; E58-D61 PolarHBondContact O-N 3.16Å; E58-E62 PolarHBondContact O-N 3.11Å
59L94.9Very high93Very high10 Ų1074.6 Ų74.65%0.05236%0.363CS..Hα-helixtrans-68-27.7176.2-73.2172.3000113.5V10 Y29 L33 L36 V55 Q57 Y63V10-L59 HydrophobicContact CG1-CD2 3.64Å; V10-L59 HydrophobicContact CG2-CD1 3.92Å; V10-L59 HydrophobicContact CG2-CD2 4.13Å; Y29-L59 HydrophobicContact CE1-CD2 4.15Å; L33-L59 HydrophobicContact CD2-CB 3.79Å; L36-L59 HydrophobicContact CD2-CD1 3.84Å; V55-L59 HydrophobicContact CG1-CD1 4.07Å; V55-L59 WeakPolarHBondContact O-CB 3.39Å; V55-L59 WeakPolarHBondContact O-CG 3.41Å; V55-L59 PolarHBondContact O-N 3.15Å; Q57-L59 VanDerWaalsContact C-N 3.33Å; Q57-L59 PolarHBondContact O-N 3.28Å; L59-Y63 WeakPolarHBondContact O-CB 3.35Å; L59-Y63 PolarHBondContact O-N 3.42Å; L59-Y63 VanDerWaalsContact O-N 3.08Å
60T95.4Very high93.1Very high39 Ų3972 Ų7224%0.23935%0.353CS..Hα-helixtrans-72.6-39.3175-55.80000110.2R56 Q57 E58 Y63 E64R56-T60 WeakPolarHBondContact O-CB 3.49Å; R56-T60 PolarHBondContact O-N 3.49Å; R56-T60 PolarHBondContact O-OG1 3.46Å; Q57-T60 WeakPolarHBondContact O-CA 3.45Å; Q57-T60 WeakPolarHBondContact O-CB 3.44Å; Q57-T60 PolarHBondContact O-N 3.22Å; E58-T60 VanDerWaalsContact C-N 3.29Å; E58-T60 PolarHBondContact O-N 3.34Å; T60-Y63 PolarHBondContact O-N 2.92Å; T60-E64 PolarHBondContact O-N 2.87Å
61D94.6Very high93.2Very high83 Ų8371.4 Ų71.444%0.44435%0.35SS..Hα-helixtrans-65.6-41.9176.2-59.2-18.8000110.8Q57 E58 Y63 E64 L65Q57-D61 PolarHBondContact NE2-OD1 3.24Å; Q57-D61 VanDerWaalsContact O-CG 3.29Å; Q57-D61 PolarHBondContact O-N 3.44Å; E58-D61 PolarHBondContact O-N 3.16Å; D61-Y63 PolarHBondContact O-N 3.06Å; D61-E64 PolarHBondContact O-N 3.4Å; D61-L65 WeakPolarHBondContact O-CG 3.38Å; D61-L65 PolarHBondContact O-N 3.09Å
62E94.1Very high93.1Very high52 Ų5269 Ų6924%0.24334%0.344CS..Hα-helixtrans-58.9-44.4171.2-76.2-178.4-157.300112.4R14 Y29 E58 L65 V66R14-E62 IonicContact CZ-OE1 2.9Å; R14-E62 IonicContact CZ-OE2 3.49Å; R14-E62 IonicContact NE-OE1 2.83Å; R14-E62 IonicContact NE-OE2 3.57Å; R14-E62 PolarHBondContact NE-OE2 3.49Å; R14-E62 IonicContact NH2-OE1 2.63Å; R14-E62 PolarHBondContact NH2-OE1 3.48Å; R14-E62 IonicContact NH2-OE2 2.68Å; R14-E62 PolarHBondContact NH2-OE2 3.02Å; Y29-E62 HydrophobicContact CE1-CB 4Å; Y29-E62 PolarHBondContact OH-OE2 3.03Å; E58-E62 PolarHBondContact O-N 3.11Å; E62-L65 PolarHBondContact O-N 3.46Å; E62-V66 WeakPolarHBondContact O-CG2 3.31Å; E62-V66 PolarHBondContact O-N 3.18Å
63Y96.2Very high92.8Very high54 Ų5469.5 Ų69.521%0.21235%0.351CS..Hα-helixtrans-62.3-44.1178.9170.3-98.9000112.4L26 Y29 L33 L59 T60 D61 V66 K67L26-Y63 HydrophobicContact CB-CE2 4.23Å; L26-Y63 HydrophobicContact CD2-CD2 3.69Å; L26-Y63 HydrophobicContact CD2-CE2 3.44Å; L26-Y63 VanDerWaalsContact CD2-CE2 3.44Å; L26-Y63 HydrophobicContact CG-CE2 4.45Å; Y29-Y63 VanDerWaalsContact CB-CD2 3.46Å; Y29-Y63 HydrophobicContact CG-CD2 4.18Å; L33-Y63 HydrophobicContact CD1-CG 4.19Å; L59-Y63 WeakPolarHBondContact O-CB 3.35Å; L59-Y63 PolarHBondContact O-N 3.42Å; L59-Y63 VanDerWaalsContact O-N 3.08Å; T60-Y63 PolarHBondContact O-N 2.92Å; D61-Y63 PolarHBondContact O-N 3.06Å; Y63-V66 PolarHBondContact O-N 3.42Å; Y63-K67 HydrophobicContact CE1-CD 3.98Å; Y63-K67 VanDerWaalsContact O-CB 3.31Å; Y63-K67 WeakPolarHBondContact O-CB 3.49Å; Y63-K67 PolarHBondContact O-N 2.82Å
64E95.1Very high92.4Very high70 Ų7066.8 Ų66.833%0.32734%0.343SS..Hα-helixtrans-66.7-37.4177.6-69.9-63.4143.600111.5T60 D61 V66 K67 D68T60-E64 PolarHBondContact O-N 2.87Å; D61-E64 PolarHBondContact O-N 3.4Å; E64-V66 PolarHBondContact O-N 2.9Å; E64-K67 VanDerWaalsContact CD-NZ 3.32Å; E64-K67 WeakPolarHBondContact O-CB 3.41Å; E64-K67 PolarHBondContact O-N 3.43Å; E64-K67 IonicContact OE1-NZ 3.84Å; E64-K67 PolarHBondContact OE1-NZ 2.81Å; E64-K67 IonicContact OE2-NZ 3.17Å; E64-K67 PolarHBondContact OE2-NZ 2.98Å; E64-D68 WeakPolarHBondContact O-CB 3.24Å; E64-D68 PolarHBondContact O-N 2.88Å
65L94.2Very high92Very high114 Ų11466.6 Ų66.660%0.59735%0.345SS*.Hα-helixtrans-58.7-46.8172-74.8168.3000112.3D61 E62 K67 D68 V69D61-L65 WeakPolarHBondContact O-CG 3.38Å; D61-L65 PolarHBondContact O-N 3.09Å; E62-L65 PolarHBondContact O-N 3.46Å; L65-K67 VanDerWaalsContact C-N 3.29Å; L65-K67 PolarHBondContact O-N 3.07Å; L65-D68 PolarHBondContact O-N 2.83Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 2.79Å; L65-V69 VanDerWaalsContact O-N 3.09Å
66V94.3Very high91.5Very high16 Ų1671.5 Ų71.510%0.09736%0.363CS..Hα-helixtrans-64.3-37177.81740000111.1A17 Y22 L26 Y29 E62 Y63 E64 V69 N70A17-V66 HydrophobicContact CB-CG2 4.15Å; Y22-V66 HydrophobicContact CD1-CG1 4.11Å; L26-V66 HydrophobicContact CD2-CB 4.17Å; L26-V66 HydrophobicContact CD2-CG1 3.8Å; L26-V66 HydrophobicContact CG-CG1 3.95Å; Y29-V66 HydrophobicContact CE2-CG2 4.02Å; E62-V66 WeakPolarHBondContact O-CG2 3.31Å; E62-V66 PolarHBondContact O-N 3.18Å; Y63-V66 PolarHBondContact O-N 3.42Å; E64-V66 PolarHBondContact O-N 2.9Å; V66-V69 PolarHBondContact O-N 2.78Å; V66-N70 PolarHBondContact O-N 2.97Å
67K94.4Very high90.4Very high57 Ų5775.4 Ų75.425%0.24838%0.382CS..Hα-helixtrans-68.2-41.8178.4-177.8175.6154.7-140.50112L26 Y63 E64 L65 V69 N70 Q71L26-K67 HydrophobicContact CD2-CB 3.8Å; Y63-K67 HydrophobicContact CE1-CD 3.98Å; Y63-K67 VanDerWaalsContact O-CB 3.31Å; Y63-K67 WeakPolarHBondContact O-CB 3.49Å; Y63-K67 PolarHBondContact O-N 2.82Å; E64-K67 VanDerWaalsContact CD-NZ 3.32Å; E64-K67 WeakPolarHBondContact O-CB 3.41Å; E64-K67 PolarHBondContact O-N 3.43Å; E64-K67 IonicContact OE1-NZ 3.84Å; E64-K67 PolarHBondContact OE1-NZ 2.81Å; E64-K67 IonicContact OE2-NZ 3.17Å; E64-K67 PolarHBondContact OE2-NZ 2.98Å; L65-K67 VanDerWaalsContact C-N 3.29Å; L65-K67 PolarHBondContact O-N 3.07Å; K67-V69 VanDerWaalsContact C-N 3.35Å; K67-N70 PolarHBondContact O-N 3.03Å; K67-Q71 WeakPolarHBondContact O-CG 3.23Å; K67-Q71 PolarHBondContact O-N 2.81Å
68D92.9Very high88.6Confident83 Ų8377 Ų7744%0.44439%0.393SS..Hα-helixtrans-62.4-42.6175-74.5-10.4000111.2E64 L65 Q71 T72E64-D68 WeakPolarHBondContact O-CB 3.24Å; E64-D68 PolarHBondContact O-N 2.88Å; L65-D68 PolarHBondContact O-N 2.83Å; D68-Q71 PolarHBondContact O-N 2.54Å; D68-T72 WeakPolarHBondContact O-CB 3.35Å; D68-T72 PolarHBondContact O-N 2.83Å; D68-T72 PolarHBondContact O-OG1 3.34Å
69V91.7Very high86.1Confident62 Ų6276.3 Ų76.338%0.37640%0.399SS..Hα-helixtrans-60.4-46.4173.5172.10000110.6Y22 L65 V66 K67 Q71 T72 L73Y22-V69 HydrophobicContact CD1-CG1 4.15Å; Y22-V69 HydrophobicContact CD2-CG1 4.28Å; Y22-V69 HydrophobicContact CE1-CG1 3.72Å; Y22-V69 HydrophobicContact CE2-CG1 3.88Å; Y22-V69 HydrophobicContact CG-CG1 4.39Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 2.79Å; L65-V69 VanDerWaalsContact O-N 3.09Å; V66-V69 PolarHBondContact O-N 2.78Å; K67-V69 VanDerWaalsContact C-N 3.35Å; V69-Q71 PolarHBondContact O-N 3Å; V69-T72 PolarHBondContact O-N 2.98Å; V69-L73 HydrophobicContact CG1-CD1 3.97Å; V69-L73 WeakPolarHBondContact O-CG 3.24Å; V69-L73 PolarHBondContact O-N 3.36Å
70N92Very high83.7Confident30 Ų3083.5 Ų83.516%0.1644%0.438CS..Hα-helixtrans-64.7-40.1179.4-165.146.6000112.8L26 V66 K67 L73 S74L26-N70 HydrophobicContact CD1-CB 4Å; V66-N70 PolarHBondContact O-N 2.97Å; K67-N70 PolarHBondContact O-N 3.03Å; N70-L73 PolarHBondContact O-N 3.22Å; N70-S74 WeakPolarHBondContact O-CB 3.47Å; N70-S74 PolarHBondContact O-N 2.86Å; N70-S74 PolarHBondContact O-OG 2.83Å
71Q90Very high81.1Confident110 Ų11089.4 Ų89.451%0.51447%0.468SS..Hα-helixtrans-65.5-42175.7-74.7-178.5300111.8K67 D68 V69 L73 S74 S75K67-Q71 WeakPolarHBondContact O-CG 3.23Å; K67-Q71 PolarHBondContact O-N 2.81Å; D68-Q71 PolarHBondContact O-N 2.54Å; V69-Q71 PolarHBondContact O-N 3Å; Q71-L73 VanDerWaalsContact C-N 3.35Å; Q71-S74 PolarHBondContact O-N 3.49Å; Q71-S75 PolarHBondContact O-N 3.42Å
72T87.1Confident78.4Confident76 Ų7692.6 Ų92.647%0.46649%0.485SS..Hα-helixtrans-63.7-41.1176.2-54.90000111D68 V69 S74 S75 F76D68-T72 WeakPolarHBondContact O-CB 3.35Å; D68-T72 PolarHBondContact O-N 2.83Å; D68-T72 PolarHBondContact O-OG1 3.34Å; V69-T72 PolarHBondContact O-N 2.98Å; T72-S74 VanDerWaalsContact C-N 3.32Å; T72-S74 PolarHBondContact O-N 2.93Å; T72-S75 PolarHBondContact O-N 3.43Å; T72-S75 PolarHBondContact O-OG 2.81Å; T72-F76 HydrophobicContact CG2-CE2 3.82Å; T72-F76 WeakPolarHBondContact O-CD2 3.4Å; T72-F76 WeakPolarHBondContact O-CE2 3.23Å; T72-F76 PolarHBondContact O-N 3.35Å
73L86.6Confident75.5Confident75 Ų7595.6 Ų95.639%0.39351%0.512SS..Hα-helixtrans-67.6-32.9174.4-73.1169.2000112.8Y22 V69 N70 Q71Y22-L73 HydrophobicContact CD2-CD1 3.44Å; Y22-L73 VanDerWaalsContact CD2-CD1 3.44Å; Y22-L73 HydrophobicContact CE2-CD1 3.17Å; V69-L73 HydrophobicContact CG1-CD1 3.97Å; V69-L73 WeakPolarHBondContact O-CG 3.24Å; V69-L73 PolarHBondContact O-N 3.36Å; N70-L73 PolarHBondContact O-N 3.22Å; Q71-L73 VanDerWaalsContact C-N 3.35Å
74S81.8Confident72.8Confident42 Ų4296.2 Ų96.229%0.29454%0.535SS..Hα-helixtrans-72.7-34.2177.4-58.60000112.2N70 Q71 T72 F76 K77 I78N70-S74 WeakPolarHBondContact O-CB 3.47Å; N70-S74 PolarHBondContact O-N 2.86Å; N70-S74 PolarHBondContact O-OG 2.83Å; Q71-S74 PolarHBondContact O-N 3.49Å; T72-S74 VanDerWaalsContact C-N 3.32Å; T72-S74 PolarHBondContact O-N 2.93Å; S74-F76 VanDerWaalsContact C-N 3.26Å; S74-F76 PolarHBondContact O-N 2.82Å; S74-K77 PolarHBondContact O-N 2.94Å; S74-I78 WeakPolarHBondContact O-CG1 3.3Å
75S84.5Confident70.2Confident70 Ų70101 Ų10149%0.4956%0.561SS.*Hα-helixtrans-65.6-31.617768.30000112.1Q71 T72 K77 I78Q71-S75 PolarHBondContact O-N 3.42Å; T72-S75 PolarHBondContact O-N 3.43Å; T72-S75 PolarHBondContact O-OG 2.81Å; S75-K77 PolarHBondContact O-N 2.94Å; S75-I78 PolarHBondContact O-N 3.42Å
76F82Confident67.7Low155 Ų155101 Ų10168%0.6857%0.571SS**THydrogen-bonded Turntrans-68.2-20.8171.7-67.5-59.9000113.8T72 S74T72-F76 HydrophobicContact CG2-CE2 3.82Å; T72-F76 WeakPolarHBondContact O-CD2 3.4Å; T72-F76 WeakPolarHBondContact O-CE2 3.23Å; T72-F76 PolarHBondContact O-N 3.35Å; S74-F76 VanDerWaalsContact C-N 3.26Å; S74-F76 PolarHBondContact O-N 2.82Å
77K69.1Low65.2Low173 Ų173104.5 Ų104.575%0.75260%0.601SS**THydrogen-bonded Turntrans-88.8-8.3-179.9-69.6-178.7178.9177.60114.1S74 S75S74-K77 PolarHBondContact O-N 2.94Å; S75-K77 PolarHBondContact O-N 2.94Å
78I55.5Low62.5Low140 Ų140110.4 Ų110.472%0.71863%0.628SS**SBendtrans-101.35.8-168.3-67.4170.3000113.7S74 S75S74-I78 WeakPolarHBondContact O-CG1 3.3Å; S75-I78 PolarHBondContact O-N 3.42Å
79S42.8Very low60Low91 Ų91110.6 Ų110.664%0.63664%0.64SS**  trans-12766.8-176.159.70000113.2
80D43.4Very low57.5Low161 Ų161112.5 Ų112.586%0.86166%0.657SS**  trans-115.56.3165-86.2-30.2000113.1
81D40.5Very low54.8Low164 Ų164121.8 Ų121.888%0.87769%0.689SS**SBendtrans-112.8103.1174.6-80.8-30.5000112.8
82D37.9Very low52.2Low149 Ų149126.8 Ų126.880%0.79771%0.705SS**  trans27.7127.6141.2-139.34.4000121.7
83S34.6Very low49.6Very low116 Ų116130.8 Ų130.881%0.81172%0.724SS**  trans67.496.3152.972.70000119.8
84G38.2Very low47.2Very low67 Ų67132.4 Ų132.469%0.69174%0.741SS**  trans-171.1-16.1167.100000119.7S86G84-S86 PolarHBondContact O-N 2.97Å
85L41Very low44.9Very low170 Ų170142 Ų14289%0.8977%0.771SS**G310 helixtrans-90.610.5-167.1-70.2167.1000115.9A87L85-A87 PolarHBondContact O-N 3.2Å
86S40.5Very low42.4Very low113 Ų113144.1 Ų144.179%0.7979%0.786SS**G310 helixtrans-79.8-3.9-176.769.80000116G84G84-S86 PolarHBondContact O-N 2.97Å
87A42.6Very low40.1Very low90 Ų90141.4 Ų141.474%0.74479%0.792SS**G310 helixtrans-102.3-8.1-17200000115.9L85L85-A87 PolarHBondContact O-N 3.2Å
88F37.8Very low38.4Very low182 Ų182140.4 Ų140.480%0.79880%0.8SS**SBendtrans-102.8-20.5-174.4-159.4-100.5000114.2S90F88-S90 VanDerWaalsContact C-N 3.3Å; F88-S90 PolarHBondContact O-N 3.06Å
89A40.8Very low37.6Very low86 Ų86142.9 Ų142.971%0.71181%0.809SS**G310 helixtrans-77-6.1-172.600000115.2R91A89-R91 PolarHBondContact O-N 3.41Å
90S38.4Very low37.4Very low103 Ų103147 Ų14772%0.7282%0.818SS**G310 helixtrans-86.64-170.5-37.40000115.6F88F88-S90 VanDerWaalsContact C-N 3.3Å; F88-S90 PolarHBondContact O-N 3.06Å
91R35.7Very low37.5Very low224 Ų224145 Ų14585%0.84581%0.814SS**G310 helixtrans-114.5-1.1-170.4-98.2-174.8-165.8-179.66.2117.8A89A89-R91 PolarHBondContact O-N 3.41Å
92Y35.9Very low37.9Very low216 Ų216144 Ų14485%0.84781%0.814SS**  trans-125.863.5178.5-75.4-83.5000111.5
93N32.3Very low38.1Very low159 Ų159148.6 Ų148.685%0.8582%0.82SS**  trans-119.685.9167.6-148.73.6000108.3
94S36.3Very low38.7Very low110 Ų110145.6 Ų145.677%0.76980%0.795SS**  trans-173.2119.2163.3-83.90000111.7
95R32.9Very low39.4Very low244 Ų244148.2 Ų148.292%0.92180%0.8SS**  trans78.3131.8168.5-59.2173.8164.2173.1-5.6114.3
96S31.6Very low40.2Very low113 Ų113144.2 Ų144.279%0.7978%0.779SS**  cis-176.2156.418.531.20000110.9
97A35.1Very low41Very low98 Ų98142.3 Ų142.381%0.8176%0.763SS**  trans74.2109.7155.100000119.5
98V33.7Very low41.4Very low153 Ų153149.4 Ų149.493%0.92777%0.77SS**  trans-62.7124163.9176.90000108.9
99E38.1Very low42.3Very low192 Ų192145.6 Ų145.690%0.89776%0.764SS**  trans-112.8127.2170-154.2169.6-157.800109.1
100E38.3Very low42.8Very low176 Ų176147 Ų14782%0.82277%0.766SS**PPolyproline II helixtrans-74.9142.5-166-142.3169.1-175.300111.7T102E100-T102 PolarHBondContact O-N 2.98Å
101P45Very low43.5Very low120 Ų120147.7 Ų147.778%0.77977%0.768SS**PPolyproline II helixtrans-70.3127.7179.729.1-33.4000110.8R103P101-R103 PolarHBondContact O-N 3.48Å
102T50.3Low44.5Very low143 Ų143142.4 Ų142.488%0.87776%0.762SS**PPolyproline II helixtrans-50.1120-179.3-14.60000111.7E100 D104E100-T102 PolarHBondContact O-N 2.98Å; T102-D104 PolarHBondContact O-N 3.13Å
103R41.1Very low45.2Very low245 Ų245138.1 Ų138.193%0.92576%0.761SS**  trans-62.4113.5173.8-88.4-178.1168.8175-2.6110.5P101P101-R103 PolarHBondContact O-N 3.48Å
104D47.4Very low45.9Very low53 Ų53138.8 Ų138.828%0.28376%0.763SS.*  trans-72.8120.2171.5-178.8-5.4000110.2T102 D106 V107 R404T102-D104 PolarHBondContact O-N 3.13Å; D104-D106 PolarHBondContact O-N 3.28Å; D104-D106 PolarHBondContact OD1-N 3.05Å; D104-V107 HydrophobicContact CB-CG2 3.86Å; D104-V107 PolarHBondContact O-N 3.5Å; D104-R404 IonicContact OD2-CZ 3.13Å; D104-R404 IonicContact OD2-NE 2.89Å; D104-R404 PolarHBondContact OD2-NE 2.92Å; D104-R404 IonicContact OD2-NH2 2.68Å; D104-R404 PolarHBondContact OD2-NH2 3.39Å
105P53.7Low46.3Very low122 Ų122141.9 Ų141.979%0.79277%0.766SS**THydrogen-bonded Turntrans-66-14.6179.125.9-32.5000114.1
106D56.1Low46.5Very low87 Ų87141.1 Ų141.147%0.46576%0.763SS.*THydrogen-bonded Turntrans-92.33.8178-85.88.2000113.5D104 R272D104-D106 PolarHBondContact O-N 3.28Å; D104-D106 PolarHBondContact OD1-N 3.05Å; D106-R272 IonicContact OD2-CZ 3.36Å; D106-R272 IonicContact OD2-NH1 2.8Å; D106-R272 PolarHBondContact OD2-NH1 2.81Å; D106-R272 IonicContact OD2-NH2 2.94Å; D106-R272 PolarHBondContact OD2-NH2 3.03Å
107V57.5Low46.8Very low73 Ų73147 Ų14744%0.44277%0.768SS.*  trans-93.8107.1171.7-176.10000110.4D104D104-V107 HydrophobicContact CB-CG2 3.86Å; D104-V107 PolarHBondContact O-N 3.5Å
108W50.6Low47.1Very low239 Ų239150.6 Ų150.691%0.90577%0.768SS**PPolyproline II helixtrans-66.8128162.8-83.9-17.6000110.6
109P56.8Low47.2Very low102 Ų102146.4 Ų146.466%0.66276%0.756SS**PPolyproline II helixtrans-61.4151.916327.4-31.7000109.1
110P51.3Low47.2Very low116 Ų116144.8 Ų144.875%0.75375%0.753SS**PPolyproline II helixtrans-54.2138.7174.323-32.5000109.7
111P53.5Low47.2Very low116 Ų116141.3 Ų141.375%0.75375%0.748SS**PPolyproline II helixtrans-58.8139179.422.9-31.6000109.7
112P56Low46.9Very low113 Ų113141 Ų14173%0.73475%0.749SS**PPolyproline II helixtrans-57.4144175.421.8-30000109.8L114P112-L114 PolarHBondContact O-N 3.32Å
113P51.8Low46.5Very low126 Ų126142.9 Ų142.982%0.81875%0.748SS**PPolyproline II helixtrans-53.5127.2178.3-23.232000110.7E115P113-E115 PolarHBondContact O-N 2.91Å
114L47.4Very low46.3Very low173 Ų173138 Ų13891%0.90674%0.74SS**  trans-57.5104175-92.6147.7000110P112 R116P112-L114 PolarHBondContact O-N 3.32Å; L114-R116 PolarHBondContact O-N 3.07Å; L114-R116 VanDerWaalsContact O-N 3.12Å
115E43.7Very low45.9Very low176 Ų176140.8 Ų140.882%0.82276%0.763SS**  trans-65.3109.4164.7-83.3-172.8161.600108.9P113 R117P113-E115 PolarHBondContact O-N 2.91Å; E115-R117 PolarHBondContact O-N 3.32Å
116R37.9Very low45Very low227 Ų227138.3 Ų138.386%0.85776%0.76SS**  trans-66.296.1168.2-69.4-175.4-176.7-167.51.3108.8L114 H118L114-R116 PolarHBondContact O-N 3.07Å; L114-R116 VanDerWaalsContact O-N 3.12Å; R116-H118 PolarHBondContact O-N 3.5Å
117R36.6Very low44.3Very low236 Ų236139.6 Ų139.689%0.89178%0.776SS**  trans-81.8107.5167-117.8-179.1-177.2-171.21109.7E115 G119E115-R117 PolarHBondContact O-N 3.32Å; R117-G119 PolarHBondContact O-N 3.1Å
118H42.4Very low43.4Very low175 Ų175143.6 Ų143.681%0.8179%0.794SS**  trans-60.2128.3166.3-74.8-82.7000110R116R116-H118 PolarHBondContact O-N 3.5Å
119G36.2Very low43Very low65 Ų65140.7 Ų140.767%0.6780%0.795SS**  trans-76.1139.1174.400000111.9R117R117-G119 PolarHBondContact O-N 3.1Å
120N37.2Very low42.4Very low158 Ų158144.7 Ų144.785%0.84581%0.805SS**  169.6147.2105.5-97.8-1000112.5
121S37.8Very low41.8Very low103 Ų103144.7 Ų144.772%0.7281%0.805SS**  trans64.5103.3154.654.50000118.1
122S39.2Very low41.1Very low113 Ų113146.9 Ų146.979%0.7981%0.81SS**  83.7105.781.6-650000112.9
123Q42Very low40.3Very low183 Ų183146 Ų14686%0.85581%0.807SS**  162.8132.7120.4-87.8179.1-2.300113
124N37.6Very low39.7Very low143 Ų143146 Ų14677%0.76580%0.804SS**  trans67.7105143.7-85.76.3000123.2
125S38Very low39.3Very low111 Ų111142.8 Ų142.878%0.77680%0.796SS**  52.9124.611564.50000121.3
126G36.2Very low38.8Very low69 Ų69139.3 Ų139.371%0.71179%0.791SS**  trans146.196.3143.900000117.6
127S41Very low38.9Very low115 Ų115134.2 Ų134.280%0.80479%0.79SS**  trans46.7118.6142.359.40000122.8
128N37.6Very low39Very low156 Ų156133.1 Ų133.183%0.83479%0.788SS**  trans14.8131.7136.5-73.8-13.4000120.2
129I42Very low38.8Very low178 Ų178136.2 Ų136.291%0.91379%0.794SS**  -171.1146.3121.7-88.1147.7000109.4
130Q44.8Very low39.3Very low187 Ų187142.1 Ų142.187%0.87480%0.801SS**  trans-67169.4-168.2-80.6176.6-12.600117.7
131P39Very low40Very low115 Ų115139.5 Ų139.575%0.74779%0.793SS**  trans-108.6158.6-16840.1-29.8000115.8
132N38.1Very low40.4Very low162 Ų162140.8 Ų140.887%0.86680%0.799SS**  trans177.9146.4154.6-98.9-16.4000105.8
133S38.8Very low40.5Very low95 Ų95141.7 Ų141.766%0.66480%0.799SS**  cis-176.3167-0.342.50000106.3
134V41.3Very low40.6Very low126 Ų126137.7 Ų137.776%0.76480%0.798SS**  trans96.2119151.4-165.10000121.3
135S37.2Very low40.7Very low105 Ų105139.7 Ų139.773%0.73480%0.802SS**  trans79.7108.9142.7-73.70000124.6
136S34.3Very low40.8Very low104 Ų104139.3 Ų139.373%0.72781%0.806SS**  34.3117.9111.7-177.40000119.6
137S39.7Very low40.9Very low119 Ų119141.8 Ų141.883%0.83281%0.812SS**  trans-161.6146.4132.549.40000112.6
138Y39Very low40.9Very low213 Ų213141 Ų14184%0.83581%0.812SS**  trans-61.4152-175.9-81.3-115.5000114.7
139Y38.9Very low41.3Very low240 Ų240138.2 Ų138.294%0.94181%0.811SS**  trans-162.9134.8134.2-106.7-77.7000111.4
140K44.9Very low41.6Very low190 Ų190135.4 Ų135.483%0.82681%0.805SS**  trans-131.3172.3174.8-138-173.1-170.7-177.50107
141P51.9Low42.6Very low103 Ų103132.4 Ų132.467%0.66980%0.801SS**  -99.8-162-109.339.7-22.8000113.3
142P46.2Very low43Very low130 Ų130132.3 Ų132.384%0.84480%0.801SS**  -147.6163.3122.833.6-14.9000117.1
143V41.8Very low43.1Very low131 Ų131130.3 Ų130.379%0.79480%0.799SS**  trans-88.6145.1176.6178.60000110.2
144A44.1Very low43.7Very low100 Ų100132.2 Ų132.283%0.82681%0.806SS**  trans-147.7133.7159.200000112.1
145H39.9Very low43.5Very low184 Ų184133.5 Ų133.585%0.85281%0.809SS**  trans-71150.9178.7-69.6-93.3000113.5
146A40.5Very low43.8Very low104 Ų104134.1 Ų134.186%0.8681%0.813SS**  trans-178.6141.1131.700000112.6
147S37.1Very low44Very low120 Ų120138.4 Ų138.484%0.83982%0.819SS**  trans-84.3151.9-176.5-11.70000112.9
148A41.6Very low44.1Very low99 Ų99138.2 Ų138.282%0.81882%0.818SS**  trans162122.8133.600000114.1
149A46.6Very low44.2Very low98 Ų98133.6 Ų133.681%0.8182%0.816SS**  trans37.6151.1136.800000124.1
150P48.7Very low44.3Very low119 Ų119125.9 Ų125.977%0.77380%0.802SS**PPolyproline II helixtrans-92.8167.3-165.239.1-34.5000114.3
151P65.6Low44Very low123 Ų123124 Ų12480%0.79980%0.801SS**PPolyproline II helixtrans-88157.3179.934.7-32.3000113.9
152P48.1Very low43.3Very low114 Ų114125.7 Ų125.774%0.7481%0.81SS**PPolyproline II helixtrans-97.3167.7-16738.7-35.3000114.9
153S40Very low43Very low119 Ų119124.1 Ų124.183%0.83281%0.808SS**PPolyproline II helixtrans-73.2142.3164.252.40000111.8
154V49.7Very low42.7Very low135 Ų135121.3 Ų121.382%0.81881%0.806SS**  trans-136.4126.3168.2-159.10000110.5
155N38.9Very low42.5Very low153 Ų153121.5 Ų121.582%0.81880%0.801SS**  trans-77.5140.4175.2-120.4-18.3000110.5
156S42.9Very low42.5Very low118 Ų118122.7 Ų122.783%0.82580%0.804SS**  trans-141.4115.8156.558.70000110.9
157K38.5Very low42.4Very low194 Ų194128.8 Ų128.884%0.84381%0.805SS**  trans-77142.8173.1-63.7170.8175175.50110.3
158S42.1Very low42.6Very low116 Ų116135.2 Ų135.281%0.81181%0.811SS**  trans-179124.7135.952.30000113.4
159S41.1Very low42.4Very low115 Ų115136.4 Ų136.480%0.80480%0.803SS**  trans57.9103.2133.5-150.70000118.8
160A40.2Very low42.3Very low78 Ų78138.8 Ų138.865%0.64581%0.807SS**  88.7128.380.200000115.2
161N38.3Very low41.9Very low151 Ų151141 Ų14181%0.80781%0.805SS**  trans64.8117.9154.2-61.3-11.2000119.7
162T38.3Very low40.8Very low138 Ų138140.7 Ų140.785%0.84780%0.803SS**  155142.6101.3-53.20000110.2
163A38.3Very low40.6Very low98 Ų98141.2 Ų141.281%0.8181%0.809SS**  trans-60156.3-175.700000115.3
164G36.7Very low40.7Very low72 Ų72141 Ų14174%0.74281%0.805SS**  trans-179.585.5172.200000113.3
165S39.2Very low40.5Very low104 Ų104141.6 Ų141.673%0.72781%0.809SS**  trans-60.8129.2171.6179.50000112.2
166F40.3Very low40.5Very low209 Ų209142.3 Ų142.392%0.91781%0.813SS**  trans-144.9107.4155.3-85.6-74.2000111.7
167R39.4Very low40.5Very low232 Ų232141.9 Ų141.988%0.87582%0.816SS**  trans-67140.5164.6-73.4173.3165.2176.9-5.1110.2
168R39.7Very low40.4Very low255 Ų255143.5 Ų143.596%0.96282%0.817SS**  trans-118.6120.1148.4-81.3-172.1-160.7164.67.7109.5
169N38.7Very low40.4Very low124 Ų124143.8 Ų143.866%0.66382%0.819SS**  trans-115.5124.3179.3-172.950.9000105.3
170V43.7Very low40.2Very low147 Ų147147.4 Ų147.489%0.89182%0.82SS**  trans-125110.7167-179.50000106.7
171K41.3Very low40.1Very low165 Ų165147.5 Ų147.572%0.71783%0.829SS**  trans-94161.5-179.2-96.5-175.8174.3-176.60111
172P41.3Very low40Very low118 Ų118147 Ų14777%0.76683%0.832SS**  trans-91.7163.9-176.637.7-33.6000113.4
173S43.6Very low40Very low124 Ų124144.2 Ų144.287%0.86782%0.823SS**  trans-105135177.5-51.10000111.9
174P43.2Very low40.1Very low116 Ų116148 Ų14875%0.75382%0.824SS**  trans-126.9144.4155.935.9-23000111.9
175T45Very low40.1Very low147 Ų147150.9 Ų150.990%0.90283%0.827SS**  trans-146.8125.3162.147.30000112.6
176N39.5Very low40Very low168 Ų168151.5 Ų151.590%0.89883%0.831SS**  trans-52.9156.3168.6-72.4-43.9000114.7
177A41.5Very low40Very low108 Ų108145.7 Ų145.789%0.89382%0.822SS**  -170.5153.911900000111.6
178R36.2Very low39.9Very low228 Ų228141.9 Ų141.986%0.8682%0.819SS**  trans-128.9138.4-156.5-168.2-168.4-163.7-178.73.6107.4
179S42.8Very low39.8Very low123 Ų123136 Ų13686%0.8681%0.806SS**  trans-163.6127.1150.357.30000112.8
180K37.5Very low39.8Very low190 Ų190141.1 Ų141.183%0.82682%0.817SS**  trans-80.2157.7174.1-67.8176.1170.6-1780111.4
181G38.6Very low39.4Very low80 Ų80144.7 Ų144.783%0.82581%0.814SS**  trans-169117.3159.100000111.3
182T34.3Very low39.3Very low141 Ų141143.8 Ų143.887%0.86582%0.822SS**  trans-111.7159.1-173.2-44.30000110.2
183A38.5Very low39Very low79 Ų79146.7 Ų146.765%0.65382%0.823SS**  trans127.6112.3152.800000112.8
184Q40.4Very low38.7Very low178 Ų178146.6 Ų146.683%0.83282%0.822SS**  64.4128.992.6-71-176.3300112.2
185T38.4Very low38.1Very low133 Ų133144.5 Ų144.582%0.81682%0.821SS**  -175162.351.422.80000111.7
186S35.6Very low37.7Very low116 Ų116143.3 Ų143.381%0.81182%0.819SS**  trans-47.8156.7174.8-49.50000119.8
187A39.9Very low37.6Very low88 Ų88144.4 Ų144.473%0.72782%0.819SS**  144.6141.1102.300000116.2
188N38.9Very low37.5Very low151 Ų151145.3 Ų145.381%0.80782%0.816SS**  trans83.797.2147.2-82.8-13.5000123.6
189N37.4Very low37.3Very low131 Ų131139.6 Ų139.670%0.70182%0.817SS**  53.6115.1102.4-147.813.1000120.2
190R39Very low37Very low232 Ų232137.2 Ų137.288%0.87581%0.812SS**  167.4112.1115.2-90.8176.5-169.9177.44.6114.8
191R33.7Very low36.8Very low222 Ų222135.3 Ų135.384%0.83881%0.811SS**  trans-7.7135.2140.8-163.5-175.1-154.3-1736.6119.3
192V40.5Very low36.5Very low147 Ų147139.8 Ų139.889%0.89182%0.816SS**  -155.8141.3129.51790000110.9
193K33.7Very low36.3Very low178 Ų178138.3 Ų138.377%0.77481%0.807SS**  trans-83.3151.3179.6-78.6174.8165.8-178.80114
194S37.4Very low36.1Very low122 Ų122139.9 Ų139.985%0.85381%0.814SS**  trans155.2128.1132.358.20000107.5
195G30.5Very low35.6Very low72 Ų72137.3 Ų137.374%0.74281%0.81SS**  cis11893.736.200000107.6
196S38.5Very low35.2Very low122 Ų122135.1 Ų135.185%0.85381%0.805SS**  trans177.2125.6157.427.30000110.2
197Q36.7Very low35Very low191 Ų191134.7 Ų134.789%0.89380%0.802SS**  trans-68.1160.8170.4-72.2-178.1-44.600110.7
198P38.3Very low34.5Very low128 Ų128136.7 Ų136.783%0.83180%0.801SS**  -137.9162.2108.732.1-16.7000114.5
199A33.5Very low34.5Very low107 Ų107136.1 Ų136.188%0.88480%0.798SS**  trans-57151.5175.500000113.9
200G35.3Very low34.8Very low74 Ų74136.4 Ų136.476%0.76380%0.799SS**  trans-172.498.8171.800000112
201D34.4Very low35.8Very low150 Ų150130.3 Ų130.380%0.80278%0.781SS**  trans22.6108.5159.9-79.7-32.7000120.7T203D201-T203 VanDerWaalsContact C-N 3.31Å; D201-T203 PolarHBondContact O-N 3.36Å; D201-T203 VanDerWaalsContact O-N 3.12Å
202N31.1Very low37.4Very low173 Ų173127 Ų12793%0.92578%0.775SS**  trans-74.284.3150.2-80.2-19.7000109.3
203T31.6Very low39.1Very low110 Ų110128 Ų12868%0.67577%0.767SS**  trans-9788.4157.3-11.60000107.6D201 T205D201-T203 VanDerWaalsContact C-N 3.31Å; D201-T203 PolarHBondContact O-N 3.36Å; D201-T203 VanDerWaalsContact O-N 3.12Å; T203-T205 VanDerWaalsContact C-N 3.29Å; T203-T205 PolarHBondContact O-N 3.27Å
204S32.6Very low41.4Very low113 Ų113120.7 Ų120.779%0.7974%0.735SS**  trans-64.394.4162.948.60000107.9A206S204-A206 VanDerWaalsContact C-N 3.29Å; S204-A206 PolarHBondContact O-N 3.45Å
205T29.9Very low43.3Very low123 Ų123119.6 Ų119.676%0.75572%0.72SS**  trans-60.993.4165.237.20000108.3T203 S207T203-T205 VanDerWaalsContact C-N 3.29Å; T203-T205 PolarHBondContact O-N 3.27Å; T205-S207 PolarHBondContact O-N 2.9Å
206A31Very low45.4Very low87 Ų87117.6 Ų117.672%0.71970%0.696SS**  trans-59.9104.7160.600000107.3S204 N208S204-A206 VanDerWaalsContact C-N 3.29Å; S204-A206 PolarHBondContact O-N 3.45Å; A206-N208 VanDerWaalsContact C-N 3.25Å; A206-N208 PolarHBondContact O-N 3.04Å
207S31.4Very low47Very low107 Ų107116.7 Ų116.775%0.74869%0.686SS**  trans-63.790.3168.4-46.30000107.8T205 N209T205-S207 PolarHBondContact O-N 2.9Å; S207-N209 VanDerWaalsContact C-N 3.33Å; S207-N209 PolarHBondContact O-N 3.19Å
208N30.1Very low48.9Very low131 Ų131111.5 Ų111.570%0.70168%0.684SS**  trans-61.296.4166.2-94.8-7.5000107.9A206 N210A206-N208 VanDerWaalsContact C-N 3.25Å; A206-N208 PolarHBondContact O-N 3.04Å; N208-N210 PolarHBondContact O-N 3.27Å
209N38.2Very low50.9Low139 Ų139108.2 Ų108.274%0.74366%0.655SS**  trans-69.276.7157.6-77.8-4.7000107.5S207 E211S207-N209 VanDerWaalsContact C-N 3.33Å; S207-N209 PolarHBondContact O-N 3.19Å; N209-E211 PolarHBondContact O-N 3.37Å
210N42.5Very low53.2Low137 Ų137107.2 Ų107.273%0.73364%0.635SS**  trans-70.681.1163.1-91-1.1000107N208 E212N208-N210 PolarHBondContact O-N 3.27Å; N210-E212 PolarHBondContact O-N 3.28Å
211E61.3Low55.5Low104 Ų104109.9 Ų109.949%0.48663%0.626SS.*  trans-66.8114.3167.7-61.7-176.7165.400107.6N209 K213 R234N209-E211 PolarHBondContact O-N 3.37Å; E211-K213 PolarHBondContact O-N 3.07Å; E211-K213 VanDerWaalsContact O-N 3.09Å; E211-R234 IonicContact OE1-CZ 3.55Å; E211-R234 IonicContact OE1-NH1 2.84Å; E211-R234 PolarHBondContact OE1-NH1 3.46Å; E211-R234 IonicContact OE2-CZ 3.39Å; E211-R234 VanDerWaalsContact OE2-CZ 3.26Å; E211-R234 IonicContact OE2-NH1 3.4Å; E211-R234 PolarHBondContact OE2-NH1 2.86Å; E211-R234 IonicContact OE2-NH2 2.82Å; E211-R234 PolarHBondContact OE2-NH2 3.12Å
212E67Low57.8Low152 Ų152108 Ų10871%0.7162%0.615SS**PPolyproline II helixtrans-57.6116.6173.8-65.5-173.3162.400108.4N210 F331 Y332N210-E212 PolarHBondContact O-N 3.28Å; E212-F331 HydrophobicContact CB-CE1 4.27Å; E212-F331 HydrophobicContact CB-CZ 4.03Å; E212-Y332 WeakPolarHBondContact O-CE1 3.44Å
213K76.1Confident60.2Low167 Ų167101.3 Ų101.373%0.72658%0.58SS**PPolyproline II helixtrans-88.3141.4174.8-71.7-167.9175.8-168.60109.2E211 D215 F331E211-K213 PolarHBondContact O-N 3.07Å; E211-K213 VanDerWaalsContact O-N 3.09Å; K213-D215 PolarHBondContact O-N 3.31Å; K213-F331 VanDerWaalsContact O-CZ 3.23Å; K213-F331 WeakPolarHBondContact O-CZ 3.43Å
214F81.1Confident62.8Low25 Ų2596.4 Ų96.411%0.1155%0.549CS..PPolyproline II helixtrans-57.1128.2174.7-177.9-103.1000109.9A216 Y219 V224 L324 D327 M328 F331 Y332F214-A216 PolarHBondContact O-N 2.91Å; F214-A216 VanDerWaalsContact O-N 3.15Å; F214-Y219 HydrophobicContact CE1-CD2 4.18Å; F214-Y219 HydrophobicContact CZ-CD2 4.41Å; F214-Y219 HydrophobicContact CZ-CE2 4.32Å; F214-V224 HydrophobicContact CD1-CG1 3.96Å; F214-L324 HydrophobicContact CD1-CD1 4.39Å; F214-L324 HydrophobicContact CE1-CD1 3.48Å; F214-L324 VanDerWaalsContact CE1-CD1 3.48Å; F214-L324 HydrophobicContact CZ-CD1 3.86Å; F214-D327 HydrophobicContact CE2-CB 4.23Å; F214-D327 HydrophobicContact CZ-CB 4.04Å; F214-M328 HydrophobicContact CD1-CG 3.92Å; F214-M328 HydrophobicContact CD2-CB 4.38Å; F214-M328 HydrophobicContact CD2-CG 3.88Å; F214-M328 HydrophobicContact CE1-CG 3.94Å; F214-M328 HydrophobicContact CE2-CB 4.41Å; F214-M328 HydrophobicContact CE2-CG 3.91Å; F214-M328 HydrophobicContact CG-CG 3.89Å; F214-M328 HydrophobicContact CZ-CG 3.93Å; F214-F331 HydrophobicContact CB-CD1 4.11Å; F214-F331 HydrophobicContact CB-CE1 4.26Å; F214-F331 HydrophobicContact CD2-CB 3.58Å; F214-F331 AromaticContact CD2-CD1 3.93Å; F214-F331 HydrophobicContact CD2-CD1 3.93Å; F214-F331 HydrophobicContact CD2-CD2 4.14Å; F214-F331 AromaticContact CD2-CG 3.62Å; F214-F331 HydrophobicContact CD2-CG 3.62Å; F214-F331 HydrophobicContact CE2-CB 3.93Å; F214-F331 HydrophobicContact CE2-CG 4.34Å; F214-Y332 HydrophobicContact CB-CE2 4.12Å; F214-Y332 PolarHBondContact N-OH 2.99Å; F214-Y332 VanDerWaalsContact N-OH 3.17Å
215D78.1Confident65.3Low100 Ų10095.5 Ų95.554%0.53553%0.533SS..  trans-72.9107.5173.9-175.216.4000109.1K213 T217K213-D215 PolarHBondContact O-N 3.31Å; D215-T217 PolarHBondContact O-N 2.59Å; D215-T217 VanDerWaalsContact O-N 3.11Å; D215-T217 WeakPolarHBondContact OD1-CG2 3.45Å; D215-T217 PolarHBondContact OD1-N 2.56Å; D215-T217 PolarHBondContact OD1-OG1 3.03Å; D215-T217 WeakPolarHBondContact OD2-CG2 3.39Å; D215-T217 PolarHBondContact OD2-OG1 3.32Å
216A74.3Confident67.8Low29 Ų2992.6 Ų92.624%0.2452%0.515CS..  trans-74.18.3-178.900000113.5F214 G218 Y219 V224F214-A216 PolarHBondContact O-N 2.91Å; F214-A216 VanDerWaalsContact O-N 3.15Å; A216-G218 PolarHBondContact O-N 2.96Å; A216-G218 VanDerWaalsContact O-N 3.12Å; A216-Y219 PolarHBondContact O-N 3.22Å; A216-V224 HydrophobicContact CB-CG2 3.96Å
217T73.3Confident70.3Confident103 Ų10388.8 Ų88.863%0.63248%0.482SS*.THydrogen-bonded Turntrans-58.6117.4-179.953.50000111.4D215D215-T217 PolarHBondContact O-N 2.59Å; D215-T217 VanDerWaalsContact O-N 3.11Å; D215-T217 WeakPolarHBondContact OD1-CG2 3.45Å; D215-T217 PolarHBondContact OD1-N 2.56Å; D215-T217 PolarHBondContact OD1-OG1 3.03Å; D215-T217 WeakPolarHBondContact OD2-CG2 3.39Å; D215-T217 PolarHBondContact OD2-OG1 3.32Å
218G75.8Confident72.9Confident83 Ų8386.7 Ų86.786%0.85646%0.461SS*.THydrogen-bonded Turntrans97.9-7.6-178.800000115.2A216A216-G218 PolarHBondContact O-N 2.96Å; A216-G218 VanDerWaalsContact O-N 3.12Å
219Y80.2Confident75.5Confident58 Ų5888.9 Ų88.923%0.22746%0.459CS..SBendtrans-113.2159.4175.6-67.3-75.2000111.6F214 A216 K221 L324 D327F214-Y219 HydrophobicContact CE1-CD2 4.18Å; F214-Y219 HydrophobicContact CZ-CD2 4.41Å; F214-Y219 HydrophobicContact CZ-CE2 4.32Å; A216-Y219 PolarHBondContact O-N 3.22Å; Y219-K221 PolarHBondContact O-N 3.38Å; Y219-L324 HydrophobicContact CD1-CB 3.81Å; Y219-L324 HydrophobicContact CD1-CD1 3.89Å; Y219-L324 HydrophobicContact CD1-CD2 4.05Å; Y219-L324 HydrophobicContact CD1-CG 4.12Å; Y219-L324 HydrophobicContact CD2-CD1 3.67Å; Y219-L324 HydrophobicContact CE1-CB 3.64Å; Y219-L324 HydrophobicContact CE1-CD1 4.15Å; Y219-L324 HydrophobicContact CE1-CG 4.35Å; Y219-L324 HydrophobicContact CE2-CD1 3.92Å; Y219-L324 HydrophobicContact CG-CB 4.46Å; Y219-L324 HydrophobicContact CG-CD1 3.65Å; Y219-L324 HydrophobicContact CG-CD2 4.24Å; Y219-L324 HydrophobicContact CG-CG 4.32Å; Y219-D327 PolarHBondContact OH-OD2 2.93Å
220D82Confident77.6Confident86 Ų8686.1 Ų86.146%0.4644%0.444SS..  trans-71.8124.3169.4-167.5-25.2000108.7D222 L223 V224D220-D222 PolarHBondContact O-N 3.29Å; D220-D222 PolarHBondContact OD1-N 3.09Å; D220-D222 VanDerWaalsContact OD1-N 3.13Å; D220-L223 HydrophobicContact CB-CB 4.2Å; D220-L223 HydrophobicContact CB-CD1 3.84Å; D220-L223 HydrophobicContact CB-CG 3.87Å; D220-L223 WeakPolarHBondContact O-CB 3.38Å; D220-L223 PolarHBondContact O-N 3.17Å; D220-L223 VanDerWaalsContact O-N 3.08Å; D220-V224 PolarHBondContact O-N 2.89Å; D220-V224 VanDerWaalsContact O-N 3.13Å
221K83.7Confident79.5Confident130 Ų13079.7 Ų79.757%0.56541%0.41SS*.Hα-helixtrans-57.8-36.5-177.5-169177.3-178.1-92.30111.4Y219 L223 V224 E225Y219-K221 PolarHBondContact O-N 3.38Å; K221-L223 VanDerWaalsContact C-N 3.32Å; K221-L223 PolarHBondContact O-N 3.45Å; K221-V224 PolarHBondContact O-N 3.11Å; K221-E225 WeakPolarHBondContact CE-OE1 3.47Å; K221-E225 IonicContact NZ-OE1 2.7Å; K221-E225 PolarHBondContact NZ-OE1 2.91Å; K221-E225 WeakPolarHBondContact O-CG 3.3Å; K221-E225 PolarHBondContact O-N 3.04Å
222D82.5Confident80.6Confident110 Ų11076 Ų7659%0.58839%0.394SS*.Hα-helixtrans-68.2-34.8-179.1-67.6-11.5000111.2D220 T226D220-D222 PolarHBondContact O-N 3.29Å; D220-D222 PolarHBondContact OD1-N 3.09Å; D220-D222 VanDerWaalsContact OD1-N 3.13Å; D222-T226 WeakPolarHBondContact O-CB 3.36Å; D222-T226 PolarHBondContact O-N 3.45Å; D222-T226 PolarHBondContact O-OG1 3.36Å
223L81.7Confident81.5Confident34 Ų3471.5 Ų71.518%0.17837%0.374CS..Hα-helixtrans-68.8-42.1175-66.7179000111.4D220 K221 T226 L227 L321 L324D220-L223 HydrophobicContact CB-CB 4.2Å; D220-L223 HydrophobicContact CB-CD1 3.84Å; D220-L223 HydrophobicContact CB-CG 3.87Å; D220-L223 WeakPolarHBondContact O-CB 3.38Å; D220-L223 PolarHBondContact O-N 3.17Å; D220-L223 VanDerWaalsContact O-N 3.08Å; K221-L223 VanDerWaalsContact C-N 3.32Å; K221-L223 PolarHBondContact O-N 3.45Å; L223-T226 PolarHBondContact O-N 2.86Å; L223-L227 WeakPolarHBondContact O-CG 3.39Å; L223-L227 PolarHBondContact O-N 3.41Å; L223-L321 HydrophobicContact CD2-CD1 4.45Å; L223-L324 HydrophobicContact CB-CD2 4.21Å
224V85.1Confident81.5Confident6 Ų669 Ų694%0.03636%0.36CS..Hα-helixtrans-61.6-49.8177.1179.60000110.5F214 A216 D220 K221 T226 L227 E228 L324 M328F214-V224 HydrophobicContact CD1-CG1 3.96Å; A216-V224 HydrophobicContact CB-CG2 3.96Å; D220-V224 PolarHBondContact O-N 2.89Å; D220-V224 VanDerWaalsContact O-N 3.13Å; K221-V224 PolarHBondContact O-N 3.11Å; V224-T226 VanDerWaalsContact C-N 3.3Å; V224-T226 PolarHBondContact O-N 3.31Å; V224-L227 PolarHBondContact O-N 2.8Å; V224-E228 HydrophobicContact CG1-CG 4.45Å; V224-E228 PolarHBondContact O-N 3.1Å; V224-L324 HydrophobicContact CB-CD2 4.5Å; V224-L324 HydrophobicContact CG2-CD1 3.92Å; V224-L324 HydrophobicContact CG2-CD2 3.73Å; V224-L324 HydrophobicContact CG2-CG 4.45Å; V224-M328 HydrophobicContact CG1-SD 4.49Å
225E85.1Confident81.3Confident94 Ų9473.7 Ų73.744%0.43939%0.386SS..Hα-helixtrans-62.2-38179.5-72.7-176.7-174.400112.2K221 R229K221-E225 WeakPolarHBondContact CE-OE1 3.47Å; K221-E225 IonicContact NZ-OE1 2.7Å; K221-E225 PolarHBondContact NZ-OE1 2.91Å; K221-E225 WeakPolarHBondContact O-CG 3.3Å; K221-E225 PolarHBondContact O-N 3.04Å; E225-R229 WeakPolarHBondContact O-CB 3.43Å; E225-R229 PolarHBondContact O-N 3.25Å
226T82.9Confident81.4Confident62 Ų6270 Ų7038%0.3837%0.367SS..Hα-helixtrans-64.1-44.7176.1-59.70000111D222 L223 V224 R229 D230D222-T226 WeakPolarHBondContact O-CB 3.36Å; D222-T226 PolarHBondContact O-N 3.45Å; D222-T226 PolarHBondContact O-OG1 3.36Å; L223-T226 PolarHBondContact O-N 2.86Å; V224-T226 VanDerWaalsContact C-N 3.3Å; V224-T226 PolarHBondContact O-N 3.31Å; T226-R229 PolarHBondContact O-N 3.2Å; T226-D230 WeakPolarHBondContact CG2-OD2 3.39Å; T226-D230 VanDerWaalsContact O-CB 3.3Å; T226-D230 WeakPolarHBondContact O-CB 3.4Å; T226-D230 PolarHBondContact O-N 2.96Å
227L84.4Confident82.1Confident7 Ų774.3 Ų74.34%0.03739%0.386CS..Hα-helixtrans-65.1-45176.6-74.9177.9000112.7L223 V224 R229 D230 I231 V232 L321 L324 M328L223-L227 WeakPolarHBondContact O-CG 3.39Å; L223-L227 PolarHBondContact O-N 3.41Å; V224-L227 PolarHBondContact O-N 2.8Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 2.79Å; L227-D230 PolarHBondContact O-N 3.37Å; L227-I231 HydrophobicContact CD2-CD1 3.3Å; L227-I231 HydrophobicContact CD2-CG1 3.96Å; L227-I231 WeakPolarHBondContact O-CA 3.01Å; L227-I231 WeakPolarHBondContact O-CB 3.45Å; L227-I231 PolarHBondContact O-N 3.23Å; L227-V232 PolarHBondContact O-N 2.78Å; L227-L321 HydrophobicContact CD1-CD1 3.6Å; L227-L321 HydrophobicContact CD1-CG 4.23Å; L227-L321 HydrophobicContact CD2-CD1 3.72Å; L227-L321 HydrophobicContact CD2-CD2 4.39Å; L227-L321 HydrophobicContact CD2-CG 3.97Å; L227-L321 HydrophobicContact CG-CD1 3.66Å; L227-L321 HydrophobicContact CG-CG 4.4Å; L227-L324 HydrophobicContact CD1-CB 4.14Å; L227-L324 HydrophobicContact CD1-CD2 3.5Å; L227-L324 VanDerWaalsContact CD1-CD2 3.5Å; L227-L324 HydrophobicContact CD1-CG 3.54Å; L227-M328 HydrophobicContact CB-CE 4.36Å; L227-M328 HydrophobicContact CB-SD 4Å; L227-M328 HydrophobicContact CD1-SD 3.98Å
228E86.3Confident82.9Confident63 Ų6370.2 Ų70.229%0.29436%0.361SS..Hα-helixtrans-58.5-40.5177-76.2-170.616900111.7V224 V232 M328 Y332V224-E228 HydrophobicContact CG1-CG 4.45Å; V224-E228 PolarHBondContact O-N 3.1Å; E228-V232 WeakPolarHBondContact O-CB 3.22Å; E228-M328 HydrophobicContact CB-CE 4.35Å; E228-M328 HydrophobicContact CG-CE 3.27Å; E228-Y332 PolarHBondContact OE1-OH 3.22Å
229R84.3Confident83.6Confident178 Ų17872.8 Ų72.867%0.67235%0.345SS*.Hα-helixtrans-74-45.6-179.8-173-169.668.3-147.8-9.5112.8E225 T226 L227E225-R229 WeakPolarHBondContact O-CB 3.43Å; E225-R229 PolarHBondContact O-N 3.25Å; T226-R229 PolarHBondContact O-N 3.2Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 2.79Å
230D81.3Confident84Confident80 Ų8071 Ų7143%0.42834%0.338SS..Hα-helixtrans-92.5-28.3-166-64-16.9000112.7T226 L227T226-D230 WeakPolarHBondContact CG2-OD2 3.39Å; T226-D230 VanDerWaalsContact O-CB 3.3Å; T226-D230 WeakPolarHBondContact O-CB 3.4Å; T226-D230 PolarHBondContact O-N 2.96Å; L227-D230 PolarHBondContact O-N 3.37Å
231I82.9Confident84.2Confident2 Ų274 Ų741%0.0135%0.354CS..THydrogen-bonded Turntrans-108.2-39.5-172.9-56.5-160.3000112.1L227 Q233 F303 N304 V305 L325L227-I231 HydrophobicContact CD2-CD1 3.3Å; L227-I231 HydrophobicContact CD2-CG1 3.96Å; L227-I231 WeakPolarHBondContact O-CA 3.01Å; L227-I231 WeakPolarHBondContact O-CB 3.45Å; L227-I231 PolarHBondContact O-N 3.23Å; I231-Q233 PolarHBondContact O-N 2.96Å; I231-F303 HydrophobicContact CG2-CB 3.72Å; I231-F303 HydrophobicContact CG2-CD1 4.03Å; I231-F303 HydrophobicContact CG2-CG 4.37Å; I231-F303 WeakPolarHBondContact O-CA 3.42Å; I231-N304 PolarHBondContact O-N 3.28Å; I231-V305 HydrophobicContact CD1-CG2 4.21Å; I231-V305 HydrophobicContact CG2-CG2 3.75Å; I231-L325 HydrophobicContact CG2-CD1 4.08Å
232V84.3Confident84.3Confident26 Ų2672.1 Ų72.116%0.15835%0.35CS..EExtended strand (participates in β ladder)trans-81.2114.9-171.1-173.70000111.5L227 E228 R234 T301 F303 M328L227-V232 PolarHBondContact O-N 2.78Å; E228-V232 WeakPolarHBondContact O-CB 3.22Å; V232-R234 HydrophobicContact CG1-CG 4.46Å; V232-T301 HydrophobicContact CG1-CG2 3.73Å; V232-F303 HydrophobicContact CG2-CD1 3.76Å; V232-F303 HydrophobicContact CG2-CE1 3.51Å; V232-F303 HydrophobicContact CG2-CZ 4.22Å; V232-M328 HydrophobicContact CG2-CE 4.13Å
233Q85.3Confident84.5Confident59 Ų5967.4 Ų67.428%0.27632%0.324SS..EExtended strand (participates in β ladder)trans-116.1108.2170.8-64.5174.931.100108.3I231 F302I231-Q233 PolarHBondContact O-N 2.96Å; Q233-F302 HydrophobicContact CB-CB 4.41Å; Q233-F302 HydrophobicContact CB-CD1 4.21Å; Q233-F302 PolarHBondContact N-O 3.03Å; Q233-F302 WeakPolarHBondContact O-CA 3.48Å; Q233-F302 VanDerWaalsContact O-CB 3.25Å; Q233-F302 WeakPolarHBondContact O-CB 3.34Å; Q233-F302 PolarHBondContact O-N 2.97Å
234R76.2Confident84.8Confident115 Ų11566.4 Ų66.443%0.43432%0.321SS..SBendtrans-68.1-42-178.6-66.5-172.9-179166.80.1112.3E211 V232E211-R234 IonicContact OE1-CZ 3.55Å; E211-R234 IonicContact OE1-NH1 2.84Å; E211-R234 PolarHBondContact OE1-NH1 3.46Å; E211-R234 IonicContact OE2-CZ 3.39Å; E211-R234 VanDerWaalsContact OE2-CZ 3.26Å; E211-R234 IonicContact OE2-NH1 3.4Å; E211-R234 PolarHBondContact OE2-NH1 2.86Å; E211-R234 IonicContact OE2-NH2 2.82Å; E211-R234 PolarHBondContact OE2-NH2 3.12Å; V232-R234 HydrophobicContact CG1-CG 4.46Å
235N77.4Confident84.9Confident122 Ų12267.5 Ų67.565%0.65233%0.331SS*.  trans-134.693.9-177.3-66.229.2000110.1N237N235-N237 PolarHBondContact O-N 3.21Å
236P81.2Confident85.1Confident22 Ų2264.4 Ų64.414%0.14332%0.317CS..  trans-68.8-13.4177.222-25.9000113.6V238 K292 A295 T296 F302P236-V238 VanDerWaalsContact C-N 3.33Å; P236-V238 PolarHBondContact O-N 2.84Å; P236-K292 HydrophobicContact CB-CB 3.88Å; P236-K292 HydrophobicContact CB-CD 4.15Å; P236-K292 HydrophobicContact CB-CG 3.81Å; P236-K292 HydrophobicContact CG-CB 4.3Å; P236-K292 HydrophobicContact CG-CG 4.48Å; P236-A295 HydrophobicContact CG-CB 4.11Å; P236-T296 WeakPolarHBondContact CG-OG1 3.35Å; P236-F302 HydrophobicContact CG-CB 4.25Å; P236-F302 HydrophobicContact CG-CG 4.39Å
237N87.7Confident85.5Confident120 Ų12067.1 Ų67.164%0.64233%0.33SS*.  trans55.438.7172.4-67.4-28.8000114.6N235 T296N235-N237 PolarHBondContact O-N 3.21Å; N237-T296 PolarHBondContact N-OG1 2.79Å
238V90.8Very high85.8Confident18 Ų1871.6 Ų71.611%0.10935%0.353CS..  trans-112.8127.9173.9-178.30000108P236 D242 I243 L289 K292 A293 T296P236-V238 VanDerWaalsContact C-N 3.33Å; P236-V238 PolarHBondContact O-N 2.84Å; V238-D242 HydrophobicContact CG1-CB 4.39Å; V238-I243 HydrophobicContact CG1-CD1 4.46Å; V238-I243 HydrophobicContact CG1-CG1 4.43Å; V238-L289 HydrophobicContact CB-CD1 4.45Å; V238-L289 HydrophobicContact CG1-CD1 3.63Å; V238-L289 HydrophobicContact CG1-CG 3.97Å; V238-L289 HydrophobicContact CG2-CD1 3.93Å; V238-K292 HydrophobicContact CB-CB 4.08Å; V238-K292 HydrophobicContact CG2-CB 3.85Å; V238-K292 HydrophobicContact CG2-CD 4.29Å; V238-A293 HydrophobicContact CG1-CB 4.05Å; V238-A293 WeakPolarHBondContact O-CA 3.38Å; V238-T296 PolarHBondContact N-OG1 3.06Å; V238-T296 WeakPolarHBondContact O-CB 3.33Å; V238-T296 WeakPolarHBondContact O-CG2 3.36Å; V238-T296 PolarHBondContact O-OG1 2.93Å; V238-T296 VanDerWaalsContact O-OG1 3.1Å
239R89.7Confident86Confident136 Ų13668.8 Ų68.851%0.51334%0.341SS..  trans-103.5166.1176.6-60.2-160.4177.1-76.3-3.4111.8D241 D242R239-D241 PolarHBondContact O-N 3.06Å; R239-D242 PolarHBondContact N-OD2 3.19Å; R239-D242 PolarHBondContact O-N 2.9Å; R239-D242 VanDerWaalsContact O-N 3.14Å
240W89.2Confident86.4Confident22 Ų2261.5 Ų61.58%0.08331%0.314CS..G310 helixtrans-58.8-30.5174.5-68.6124.5000113.5D242 I243 K250 L253 Q254 L290 A293 V294 E297W240-D242 VanDerWaalsContact C-N 3.28Å; W240-D242 PolarHBondContact O-N 3.11Å; W240-I243 PolarHBondContact O-N 2.71Å; W240-K250 HydrophobicContact CE3-CB 4.36Å; W240-K250 HydrophobicContact CE3-CD 3.96Å; W240-K250 HydrophobicContact CE3-CG 3.74Å; W240-K250 HydrophobicContact CZ3-CB 4.3Å; W240-K250 HydrophobicContact CZ3-CG 3.81Å; W240-K250 PolarHBondContact O-NZ 3.49Å; W240-L253 HydrophobicContact CH2-CB 4.3Å; W240-Q254 HydrophobicContact CZ2-CG 3.97Å; W240-L290 HydrophobicContact CE3-CD1 4.4Å; W240-L290 HydrophobicContact CZ3-CD1 3.64Å; W240-L290 HydrophobicContact CZ3-CG 4.34Å; W240-A293 HydrophobicContact CD2-CB 4.37Å; W240-A293 HydrophobicContact CE3-CB 3.89Å; W240-A293 HydrophobicContact CZ3-CB 3.99Å; W240-V294 HydrophobicContact CH2-CB 4.46Å; W240-V294 HydrophobicContact CH2-CG2 3.45Å; W240-V294 VanDerWaalsContact CH2-CG2 3.45Å; W240-V294 HydrophobicContact CZ2-CG2 4Å; W240-V294 HydrophobicContact CZ3-CG2 4.4Å; W240-E297 VanDerWaalsContact CD1-CG 3.4Å; W240-E297 HydrophobicContact CD2-CG 4.31Å; W240-E297 HydrophobicContact CG-CG 4.09Å; W240-E297 PolarHBondContact N-OE1 3.34Å
241D86.8Confident86.9Confident149 Ų14963.6 Ų63.680%0.79732%0.316SS*.G310 helixtrans-72.7-21.1-179.4-63.8-26.2000112.8R239 I243R239-D241 PolarHBondContact O-N 3.06Å; D241-I243 PolarHBondContact O-N 3.43Å
242D84.8Confident87.3Confident89 Ų8964.7 Ų64.748%0.47632%0.322SS..G310 helixtrans-80-8.6177.8-57.1-42.5000112.2V238 R239 W240V238-D242 HydrophobicContact CG1-CB 4.39Å; R239-D242 PolarHBondContact N-OD2 3.19Å; R239-D242 PolarHBondContact O-N 2.9Å; R239-D242 VanDerWaalsContact O-N 3.14Å; W240-D242 VanDerWaalsContact C-N 3.28Å; W240-D242 PolarHBondContact O-N 3.11Å
243I88.1Confident87.6Confident11 Ų1163.5 Ų63.56%0.05631%0.314CS..SBendtrans-107.2118-177.6-56.3-177.6000109.3V238 W240 D241 A245 L246 K250 L289 L290 A293V238-I243 HydrophobicContact CG1-CD1 4.46Å; V238-I243 HydrophobicContact CG1-CG1 4.43Å; W240-I243 PolarHBondContact O-N 2.71Å; D241-I243 PolarHBondContact O-N 3.43Å; I243-A245 PolarHBondContact O-N 3.21Å; I243-L246 HydrophobicContact CG2-CD1 4.12Å; I243-K250 PolarHBondContact O-NZ 3.37Å; I243-L289 HydrophobicContact CD1-CD2 4.46Å; I243-L289 HydrophobicContact CD1-CG 4.09Å; I243-L289 HydrophobicContact CG1-CD2 3.87Å; I243-L289 HydrophobicContact CG1-CG 3.97Å; I243-L290 HydrophobicContact CD1-CB 4.42Å; I243-L290 HydrophobicContact CD1-CD1 3.81Å; I243-L290 HydrophobicContact CG2-CD1 4.39Å; I243-A293 HydrophobicContact CD1-CB 3.55Å
244A88Confident87.8Confident14 Ų1464.3 Ų64.312%0.11632%0.318CS..  trans-69.7132.4175.800000111.8T422 L423 I426A244-T422 HydrophobicContact CB-CG2 3.84Å; A244-L423 HydrophobicContact CB-CD2 3.65Å; A244-L423 HydrophobicContact CB-CG 3.7Å; A244-I426 HydrophobicContact CB-CD1 4.07Å
245A86.4Confident88.3Confident29 Ų2963.1 Ų63.124%0.2432%0.318CS..SBendtrans54.9-138.3175.100000113.6I243 D247 K250 A419I243-A245 PolarHBondContact O-N 3.21Å; A245-D247 VanDerWaalsContact C-N 3.27Å; A245-D247 PolarHBondContact O-N 2.98Å; A245-K250 WeakPolarHBondContact O-CE 3.45Å; A245-K250 PolarHBondContact O-NZ 3.23Å; A245-A419 HydrophobicContact CB-CB 3.41Å; A245-A419 VanDerWaalsContact CB-CB 3.41Å
246L90.2Very high88.7Confident29 Ų2957.4 Ų57.415%0.15229%0.288CS..  trans59.632.3-176.7-58.4177.8000113.5I243 D248 A249 K250 I412 P413I243-L246 HydrophobicContact CG2-CD1 4.12Å; L246-D248 VanDerWaalsContact C-N 3.29Å; L246-D248 PolarHBondContact O-N 3.35Å; L246-A249 HydrophobicContact CB-CB 4.27Å; L246-A249 PolarHBondContact O-N 3.45Å; L246-K250 WeakPolarHBondContact O-CG 3.46Å; L246-K250 PolarHBondContact O-N 3.34Å; L246-I412 HydrophobicContact CD1-CG2 3.93Å; L246-I412 HydrophobicContact CD2-CG2 3.89Å; L246-P413 HydrophobicContact CD2-CG 4.28Å
247D90.4Very high88.8Confident119 Ų11956.8 Ų56.864%0.63628%0.283SS*.Hα-helixtrans-55.9-40.8-173.4-57.3-62.1000113A245 K250 R251A245-D247 VanDerWaalsContact C-N 3.27Å; A245-D247 PolarHBondContact O-N 2.98Å; D247-K250 PolarHBondContact O-N 3.06Å; D247-R251 VanDerWaalsContact O-CB 3.31Å; D247-R251 WeakPolarHBondContact O-CB 3.38Å; D247-R251 PolarHBondContact O-N 3.44Å
248D89.9Confident88.7Confident100 Ų10052.5 Ų52.554%0.53526%0.261SS..Hα-helixtrans-65.5-43176-73.1-43.2000112.1L246 R251 L252L246-D248 VanDerWaalsContact C-N 3.29Å; L246-D248 PolarHBondContact O-N 3.35Å; D248-R251 PolarHBondContact O-N 2.81Å; D248-R251 IonicContact OD1-CZ 2.99Å; D248-R251 IonicContact OD1-NH1 3.45Å; D248-R251 PolarHBondContact OD1-NH1 3.36Å; D248-R251 IonicContact OD1-NH2 2.78Å; D248-R251 PolarHBondContact OD1-NH2 3.24Å; D248-L252 WeakPolarHBondContact O-CB 3.43Å; D248-L252 VanDerWaalsContact O-CG 3.25Å; D248-L252 WeakPolarHBondContact O-CG 3.27Å; D248-L252 PolarHBondContact O-N 2.82Å
249A92Very high88.5Confident4 Ų454.9 Ų54.93%0.03327%0.273CS..Hα-helixtrans-68.1-40.5177.800000111.8L246 L252 L253 L290 V410 I412L246-A249 HydrophobicContact CB-CB 4.27Å; L246-A249 PolarHBondContact O-N 3.45Å; A249-L252 PolarHBondContact O-N 2.93Å; A249-L253 WeakPolarHBondContact O-CB 3.49Å; A249-L253 WeakPolarHBondContact O-CG 3.47Å; A249-L253 PolarHBondContact O-N 2.96Å; A249-L290 HydrophobicContact CB-CD2 4.2Å; A249-V410 HydrophobicContact CB-CG1 3.69Å; A249-I412 HydrophobicContact CB-CD1 3.43Å; A249-I412 VanDerWaalsContact CB-CD1 3.43Å
250K92.2Very high88.3Confident25 Ų2549.1 Ų49.111%0.10925%0.253CS..Hα-helixtrans-60.1-47.5173.1-69.8-177.7-177.7177.10110.8W240 I243 A245 L246 D247 L253 Q254 L290W240-K250 HydrophobicContact CE3-CB 4.36Å; W240-K250 HydrophobicContact CE3-CD 3.96Å; W240-K250 HydrophobicContact CE3-CG 3.74Å; W240-K250 HydrophobicContact CZ3-CB 4.3Å; W240-K250 HydrophobicContact CZ3-CG 3.81Å; W240-K250 PolarHBondContact O-NZ 3.49Å; I243-K250 PolarHBondContact O-NZ 3.37Å; A245-K250 WeakPolarHBondContact O-CE 3.45Å; A245-K250 PolarHBondContact O-NZ 3.23Å; L246-K250 WeakPolarHBondContact O-CG 3.46Å; L246-K250 PolarHBondContact O-N 3.34Å; D247-K250 PolarHBondContact O-N 3.06Å; K250-L253 PolarHBondContact O-N 3.4Å; K250-Q254 WeakPolarHBondContact O-CB 3.36Å; K250-Q254 VanDerWaalsContact O-CG 3.23Å; K250-Q254 WeakPolarHBondContact O-CG 3.31Å; K250-Q254 PolarHBondContact O-N 3.34Å; K250-L290 HydrophobicContact CG-CD1 4.16Å
251R91.9Very high88Confident125 Ų12551.2 Ų51.247%0.47227%0.265SS..Hα-helixtrans-58.8-50176.5-177-178.968.2-137.2-12111.3D247 D248 L253 Q254 E255D247-R251 VanDerWaalsContact O-CB 3.31Å; D247-R251 WeakPolarHBondContact O-CB 3.38Å; D247-R251 PolarHBondContact O-N 3.44Å; D248-R251 PolarHBondContact O-N 2.81Å; D248-R251 IonicContact OD1-CZ 2.99Å; D248-R251 IonicContact OD1-NH1 3.45Å; D248-R251 PolarHBondContact OD1-NH1 3.36Å; D248-R251 IonicContact OD1-NH2 2.78Å; D248-R251 PolarHBondContact OD1-NH2 3.24Å; R251-L253 VanDerWaalsContact C-N 3.32Å; R251-L253 PolarHBondContact O-N 2.83Å; R251-Q254 PolarHBondContact O-N 2.86Å; R251-E255 WeakPolarHBondContact CG-OE1 3.45Å; R251-E255 WeakPolarHBondContact O-CB 3.44Å; R251-E255 WeakPolarHBondContact O-CG 3.47Å; R251-E255 PolarHBondContact O-N 3.1Å
252L90.8Very high87.9Confident25 Ų2548.9 Ų48.913%0.13126%0.256CS..Hα-helixtrans-61.7-38.9-179.7-72.2177.1000112.5D248 A249 A256 V410D248-L252 WeakPolarHBondContact O-CB 3.43Å; D248-L252 VanDerWaalsContact O-CG 3.25Å; D248-L252 WeakPolarHBondContact O-CG 3.27Å; D248-L252 PolarHBondContact O-N 2.82Å; A249-L252 PolarHBondContact O-N 2.93Å; L252-A256 VanDerWaalsContact O-CB 3.23Å; L252-A256 WeakPolarHBondContact O-CB 3.25Å; L252-A256 PolarHBondContact O-N 3.11Å; L252-V410 HydrophobicContact CB-CG2 4.16Å; L252-V410 HydrophobicContact CD1-CG1 4.24Å; L252-V410 HydrophobicContact CD1-CG2 4.36Å
253L90.1Very high88Confident0 Ų048.2 Ų48.20%025%0.252CS..Hα-helixtrans-72.2-39.5175.5-74.1169.1000112.3W240 A249 K250 R251 E255 A256 V257 V277 M279 L290 V294 L389W240-L253 HydrophobicContact CH2-CB 4.3Å; A249-L253 WeakPolarHBondContact O-CB 3.49Å; A249-L253 WeakPolarHBondContact O-CG 3.47Å; A249-L253 PolarHBondContact O-N 2.96Å; K250-L253 PolarHBondContact O-N 3.4Å; R251-L253 VanDerWaalsContact C-N 3.32Å; R251-L253 PolarHBondContact O-N 2.83Å; L253-E255 VanDerWaalsContact C-N 3.31Å; L253-E255 PolarHBondContact O-N 3.48Å; L253-A256 PolarHBondContact O-N 3.01Å; L253-V257 HydrophobicContact CD2-CG2 4.35Å; L253-V257 VanDerWaalsContact O-CB 3.24Å; L253-V257 WeakPolarHBondContact O-CB 3.42Å; L253-V257 VanDerWaalsContact O-CG2 3.23Å; L253-V257 WeakPolarHBondContact O-CG2 3.31Å; L253-V257 PolarHBondContact O-N 3.4Å; L253-V277 HydrophobicContact CD2-CG1 3.84Å; L253-M279 HydrophobicContact CD1-SD 4.3Å; L253-L290 HydrophobicContact CD1-CD1 4.31Å; L253-L290 HydrophobicContact CD1-CD2 3.28Å; L253-L290 HydrophobicContact CD1-CG 3.46Å; L253-L290 VanDerWaalsContact CD1-CG 3.46Å; L253-V294 HydrophobicContact CB-CG2 4.04Å; L253-V294 HydrophobicContact CD1-CG2 4Å; L253-V294 HydrophobicContact CD2-CG2 4.4Å; L253-V294 HydrophobicContact CG-CG2 4.4Å; L253-L389 HydrophobicContact CD2-CD2 4.24Å
254Q89.4Confident87.8Confident76 Ų7649.9 Ų49.936%0.35526%0.263SS..Iπ-helixtrans-59.5-44.6173.2-76174.60.600110.9W240 K250 R251 V258 L259W240-Q254 HydrophobicContact CZ2-CG 3.97Å; K250-Q254 WeakPolarHBondContact O-CB 3.36Å; K250-Q254 VanDerWaalsContact O-CG 3.23Å; K250-Q254 WeakPolarHBondContact O-CG 3.31Å; K250-Q254 PolarHBondContact O-N 3.34Å; R251-Q254 PolarHBondContact O-N 2.86Å; Q254-V258 HydrophobicContact CB-CG2 4.4Å; Q254-V258 HydrophobicContact CG-CG2 4.24Å; Q254-V258 WeakPolarHBondContact O-CA 3.43Å; Q254-V258 VanDerWaalsContact O-CB 3.31Å; Q254-V258 WeakPolarHBondContact O-CB 3.41Å; Q254-V258 PolarHBondContact O-N 3.38Å; Q254-L259 PolarHBondContact O-N 3.22Å
255E88Confident87.7Confident90 Ų9051.8 Ų51.842%0.42128%0.284SS..Iπ-helixtrans-65-42.5176.8-73.8175-163.800113R251 L253 L259R251-E255 WeakPolarHBondContact CG-OE1 3.45Å; R251-E255 WeakPolarHBondContact O-CB 3.44Å; R251-E255 WeakPolarHBondContact O-CG 3.47Å; R251-E255 PolarHBondContact O-N 3.1Å; L253-E255 VanDerWaalsContact C-N 3.31Å; L253-E255 PolarHBondContact O-N 3.48Å; E255-L259 HydrophobicContact CB-CD1 4.22Å; E255-L259 HydrophobicContact CG-CD1 3.96Å
256A85.4Confident87.7Confident3 Ų355.2 Ų55.23%0.02529%0.294CS..Iπ-helixtrans-76.4-30.9-176.200000113.4L252 L253 P260 V277 K408L252-A256 VanDerWaalsContact O-CB 3.23Å; L252-A256 WeakPolarHBondContact O-CB 3.25Å; L252-A256 PolarHBondContact O-N 3.11Å; L253-A256 PolarHBondContact O-N 3.01Å; A256-P260 WeakPolarHBondContact O-CG 3.43Å; A256-V277 HydrophobicContact CB-CG2 4.18Å; A256-K408 HydrophobicContact CB-CG 4.49Å
257V83.8Confident87.5Confident8 Ų855.6 Ų55.65%0.04829%0.294CS..Iπ-helixtrans-118.7-48.9-166.6-171.10000112.7L253 V277 V294 M387L253-V257 HydrophobicContact CD2-CG2 4.35Å; L253-V257 VanDerWaalsContact O-CB 3.24Å; L253-V257 WeakPolarHBondContact O-CB 3.42Å; L253-V257 VanDerWaalsContact O-CG2 3.23Å; L253-V257 WeakPolarHBondContact O-CG2 3.31Å; L253-V257 PolarHBondContact O-N 3.4Å; V257-V277 HydrophobicContact CG2-CG2 4.49Å; V257-V294 HydrophobicContact CB-CG1 3.93Å; V257-V294 HydrophobicContact CG1-CG1 3.45Å; V257-V294 VanDerWaalsContact CG1-CG1 3.45Å; V257-V294 HydrophobicContact CG2-CG1 4.13Å; V257-M387 HydrophobicContact CB-CE 4.01Å; V257-M387 HydrophobicContact CB-SD 3.74Å; V257-M387 HydrophobicContact CG1-CE 3.69Å; V257-M387 HydrophobicContact CG1-SD 3.31Å; V257-M387 WeakPolarHBondContact CG1-SD 3.49Å; V257-M387 HydrophobicContact CG2-CE 3.18Å; V257-M387 HydrophobicContact CG2-SD 3.38Å; V257-M387 WeakPolarHBondContact CG2-SD 3.23Å
258V84.6Confident87Confident30 Ų3055.7 Ų55.718%0.18229%0.289CS..Iπ-helixtrans-78.1-46.8-173.7-177.20000110.7Q254 M261 V262 C298Q254-V258 HydrophobicContact CB-CG2 4.4Å; Q254-V258 HydrophobicContact CG-CG2 4.24Å; Q254-V258 WeakPolarHBondContact O-CA 3.43Å; Q254-V258 VanDerWaalsContact O-CB 3.31Å; Q254-V258 WeakPolarHBondContact O-CB 3.41Å; Q254-V258 PolarHBondContact O-N 3.38Å; V258-M261 PolarHBondContact O-N 3.37Å; V258-V262 HydrophobicContact CG1-CG2 3.95Å; V258-V262 WeakPolarHBondContact O-CG2 3.25Å; V258-V262 PolarHBondContact O-N 2.91Å; V258-V262 VanDerWaalsContact O-N 3.11Å; V258-C298 VanDerWaalsContact CG2-SG 3.6Å
259L87.6Confident86.7Confident68 Ų6853.9 Ų53.936%0.35629%0.294SS..Hα-helixtrans-58.3-41.6-177-67.8-173.2000114Q254 E255 M261 V262 I263 F267Q254-L259 PolarHBondContact O-N 3.22Å; E255-L259 HydrophobicContact CB-CD1 4.22Å; E255-L259 HydrophobicContact CG-CD1 3.96Å; L259-M261 PolarHBondContact O-N 2.86Å; L259-V262 PolarHBondContact O-N 3.3Å; L259-I263 WeakPolarHBondContact O-CG1 3.49Å; L259-I263 PolarHBondContact O-N 3.43Å; L259-F267 VanDerWaalsContact C-CE2 3.44Å; L259-F267 HydrophobicContact CB-CE2 3.68Å; L259-F267 HydrophobicContact CB-CZ 3.65Å
260P84.3Confident86.3Confident15 Ų1561.7 Ų61.710%0.09733%0.333CS..Hα-helixtrans-51.5-37.3171.6-33.338.6000114.9A256 P264 F267 P273A256-P260 WeakPolarHBondContact O-CG 3.43Å; P260-P264 WeakPolarHBondContact O-CA 3.46Å; P260-F267 HydrophobicContact CB-CD2 4.39Å; P260-F267 HydrophobicContact CB-CG 4.32Å; P260-F267 HydrophobicContact CG-CD1 3.96Å; P260-F267 HydrophobicContact CG-CD2 4.34Å; P260-F267 HydrophobicContact CG-CE1 3.87Å; P260-F267 HydrophobicContact CG-CE2 4.26Å; P260-F267 HydrophobicContact CG-CG 4.2Å; P260-F267 HydrophobicContact CG-CZ 4.02Å; P260-P273 HydrophobicContact CB-CB 3.9Å; P260-P273 HydrophobicContact CB-CG 3.73Å; P260-P273 HydrophobicContact CG-CB 3.77Å; P260-P273 HydrophobicContact CG-CG 4.04Å
261M82.4Confident85.9Confident67 Ų6766.3 Ų66.333%0.3335%0.35SS..Hα-helixtrans-79.6-34.4-179.9-61.2-173.671.600112.2V258 L259 C298 T300 P334V258-M261 PolarHBondContact O-N 3.37Å; L259-M261 PolarHBondContact O-N 2.86Å; M261-C298 HydrophobicContact CE-CB 4.49Å; M261-C298 HydrophobicContact SD-CB 3.63Å; M261-T300 HydrophobicContact CE-CG2 4Å; M261-T300 HydrophobicContact SD-CG2 4.06Å; M261-P334 HydrophobicContact CE-CB 3.84Å; M261-P334 HydrophobicContact CE-CG 4Å
262V85.5Confident85.5Confident100 Ų10065.3 Ų65.361%0.60635%0.346SS*.Hα-helixtrans-78-39.3-178179.10000112.2V258 L259 P264V258-V262 HydrophobicContact CG1-CG2 3.95Å; V258-V262 WeakPolarHBondContact O-CG2 3.25Å; V258-V262 PolarHBondContact O-N 2.91Å; V258-V262 VanDerWaalsContact O-N 3.11Å; L259-V262 PolarHBondContact O-N 3.3Å; V262-P264 VanDerWaalsContact C-CD 3.44Å
263I86.8Confident85.1Confident75 Ų7566.6 Ų66.639%0.38536%0.356SS..  trans-128.560.4-177.652168.5000112.1L259 G265 F266 F267L259-I263 WeakPolarHBondContact O-CG1 3.49Å; L259-I263 PolarHBondContact O-N 3.43Å; I263-G265 PolarHBondContact O-N 3.41Å; I263-F266 HydrophobicContact CB-CB 4.34Å; I263-F266 HydrophobicContact CD1-CB 3.93Å; I263-F266 HydrophobicContact CD1-CD1 4.34Å; I263-F266 HydrophobicContact CD1-CG 4.13Å; I263-F266 HydrophobicContact CG1-CB 4.22Å; I263-F266 WeakPolarHBondContact O-CB 3.39Å; I263-F266 PolarHBondContact O-N 2.64Å; I263-F267 HydrophobicContact CD1-CE2 4.04Å; I263-F267 HydrophobicContact CG1-CD2 4.21Å; I263-F267 HydrophobicContact CG1-CE2 3.85Å
264P83.7Confident84.8Confident45 Ų4572 Ų7229%0.29238%0.376SS..THydrogen-bonded Turntrans-58.1-28.4-175.122.1-33.7000113.5P260 V262 F266 F267 P382P260-P264 WeakPolarHBondContact O-CA 3.46Å; V262-P264 VanDerWaalsContact C-CD 3.44Å; P264-F266 PolarHBondContact O-N 2.95Å; P264-F267 PolarHBondContact O-N 3.43Å; P264-P382 HydrophobicContact CB-CB 3.8Å; P264-P382 HydrophobicContact CB-CG 3.52Å; P264-P382 HydrophobicContact CG-CG 4.36Å
265G85.6Confident84.4Confident54 Ų5470.6 Ų70.656%0.55737%0.369SS*.THydrogen-bonded Turntrans-61.1-26.3174.800000114.6I263I263-G265 PolarHBondContact O-N 3.41Å
266F88Confident84.5Confident102 Ų10266.3 Ų66.345%0.44735%0.349SS..THydrogen-bonded Turntrans-80.1-36.4178.4-175.4-92.3000112.1I263 P264 K268 R271I263-F266 HydrophobicContact CB-CB 4.34Å; I263-F266 HydrophobicContact CD1-CB 3.93Å; I263-F266 HydrophobicContact CD1-CD1 4.34Å; I263-F266 HydrophobicContact CD1-CG 4.13Å; I263-F266 HydrophobicContact CG1-CB 4.22Å; I263-F266 WeakPolarHBondContact O-CB 3.39Å; I263-F266 PolarHBondContact O-N 2.64Å; P264-F266 PolarHBondContact O-N 2.95Å; F266-K268 VanDerWaalsContact C-N 3.29Å; F266-K268 PolarHBondContact O-N 3.28Å; F266-R271 PolarHBondContact O-NE 2.88Å; F266-R271 VanDerWaalsContact O-NE 3.13Å; F266-R271 PolarHBondContact O-NH2 2.68Å
267F84.8Confident84.9Confident36 Ų3666.2 Ų66.216%0.15835%0.348CS..SBendtrans-87.260.9-174.1-72.3-92.8000112.6L259 P260 I263 P264 R271 P273L259-F267 VanDerWaalsContact C-CE2 3.44Å; L259-F267 HydrophobicContact CB-CE2 3.68Å; L259-F267 HydrophobicContact CB-CZ 3.65Å; P260-F267 HydrophobicContact CB-CD2 4.39Å; P260-F267 HydrophobicContact CB-CG 4.32Å; P260-F267 HydrophobicContact CG-CD1 3.96Å; P260-F267 HydrophobicContact CG-CD2 4.34Å; P260-F267 HydrophobicContact CG-CE1 3.87Å; P260-F267 HydrophobicContact CG-CE2 4.26Å; P260-F267 HydrophobicContact CG-CG 4.2Å; P260-F267 HydrophobicContact CG-CZ 4.02Å; I263-F267 HydrophobicContact CD1-CE2 4.04Å; I263-F267 HydrophobicContact CG1-CD2 4.21Å; I263-F267 HydrophobicContact CG1-CE2 3.85Å; P264-F267 PolarHBondContact O-N 3.43Å; F267-R271 CarbonylContact C-O 3.42Å; F267-R271 WeakPolarHBondContact CA-O 3.05Å; F267-R271 WeakPolarHBondContact CB-O 3.39Å; F267-R271 VanDerWaalsContact CD1-O 3.25Å; F267-R271 WeakPolarHBondContact CD1-O 3.37Å; F267-P273 HydrophobicContact CB-CG 3.94Å; F267-P273 HydrophobicContact CD1-CG 4.32Å; F267-P273 HydrophobicContact CG-CG 4.4Å
268K80.1Confident85.4Confident121 Ų12165.8 Ų65.853%0.52635%0.346SS..  trans-121.3156.2179.6-64.2-174173.5-173.40112.2F266 I270 R271F266-K268 VanDerWaalsContact C-N 3.29Å; F266-K268 PolarHBondContact O-N 3.28Å; K268-I270 PolarHBondContact O-N 3.2Å; K268-R271 PolarHBondContact O-N 3.2Å
269G83.5Confident85.9Confident62 Ų6264.4 Ų64.464%0.63934%0.337SS*.G310 helixtrans60.9-124.7178.100000111.8R271 R272G269-R271 PolarHBondContact O-N 3.34Å; G269-R272 PolarHBondContact O-N 3.17Å
270I84.6Confident86.3Confident168 Ų16861.1 Ų61.186%0.86232%0.32SS*.G310 helixtrans-64.7-23.4179.5-163.8168.1000113.4K268 R272K268-I270 PolarHBondContact O-N 3.2Å; I270-R272 PolarHBondContact O-N 3.45Å
271R84.1Confident86.8Confident122 Ų12260.4 Ų60.446%0.4632%0.316SS..G310 helixtrans-9029.1178.3-61.8179.2-64.6179.10.7112.1F266 F267 K268 G269F266-R271 PolarHBondContact O-NE 2.88Å; F266-R271 VanDerWaalsContact O-NE 3.13Å; F266-R271 PolarHBondContact O-NH2 2.68Å; F267-R271 CarbonylContact C-O 3.42Å; F267-R271 WeakPolarHBondContact CA-O 3.05Å; F267-R271 WeakPolarHBondContact CB-O 3.39Å; F267-R271 VanDerWaalsContact CD1-O 3.25Å; F267-R271 WeakPolarHBondContact CD1-O 3.37Å; K268-R271 PolarHBondContact O-N 3.2Å; G269-R271 PolarHBondContact O-N 3.34Å
272R81.8Confident87.4Confident105 Ų10557.2 Ų57.240%0.39630%0.3SS..PPolyproline II helixtrans-55.6144.717664.3-174-172.5170.84.5110.1D106 G269 I270D106-R272 IonicContact OD2-CZ 3.36Å; D106-R272 IonicContact OD2-NH1 2.8Å; D106-R272 PolarHBondContact OD2-NH1 2.81Å; D106-R272 IonicContact OD2-NH2 2.94Å; D106-R272 PolarHBondContact OD2-NH2 3.03Å; G269-R272 PolarHBondContact O-N 3.17Å; I270-R272 PolarHBondContact O-N 3.45Å
273P83.6Confident87.9Confident51 Ų5155.1 Ų55.133%0.33129%0.288SS..PPolyproline II helixtrans-57.1150176.4-23.535.1000111.8P260 F267 K275P260-P273 HydrophobicContact CB-CB 3.9Å; P260-P273 HydrophobicContact CB-CG 3.73Å; P260-P273 HydrophobicContact CG-CB 3.77Å; P260-P273 HydrophobicContact CG-CG 4.04Å; F267-P273 HydrophobicContact CB-CG 3.94Å; F267-P273 HydrophobicContact CD1-CG 4.32Å; F267-P273 HydrophobicContact CG-CG 4.4Å; P273-K275 PolarHBondContact O-N 3.07Å
274W84.3Confident88.2Confident113 Ų11353.1 Ų53.143%0.42829%0.286SS..PPolyproline II helixtrans-67.1128.9170.7-53.9101.9000108.9E407 K408W274-E407 HydrophobicContact CE3-CB 3.47Å; W274-E407 VanDerWaalsContact CE3-CB 3.47Å; W274-E407 HydrophobicContact CE3-CG 4.34Å; W274-E407 VanDerWaalsContact CE3-OE2 3.26Å; W274-E407 HydrophobicContact CZ3-CB 3.79Å; W274-K408 HydrophobicContact CB-CB 4.48Å; W274-K408 HydrophobicContact CD2-CB 4.34Å; W274-K408 HydrophobicContact CG-CB 4.22Å
275K79.6Confident88.7Confident48 Ų4851.6 Ų51.621%0.20928%0.276CS..SBendtrans-84.7-29.9-178.2-62.9176.2-169.3155.90113P273 V372 T373 V388P273-K275 PolarHBondContact O-N 3.07Å; K275-V372 HydrophobicContact CD-CG2 4.49Å; K275-T373 WeakPolarHBondContact CE-OG1 3.3Å; K275-T373 PolarHBondContact NZ-OG1 3.32Å; K275-V388 PolarHBondContact O-N 3.47Å; K275-V388 VanDerWaalsContact O-N 3.09Å
276G90.6Very high89Confident0 Ų050.2 Ų50.20%026%0.262CS..EExtended strand (participates in β ladder)trans-129.4127-177.600000111.2V388 L406 E407 K408G276-V388 WeakPolarHBondContact CA-O 3.34Å; G276-L406 CarbonylContact O-C 3.58Å; G276-E407 PolarHBondContact O-N 2.75Å; G276-K408 PolarHBondContact O-N 3.43Å
277V93.4Very high89.3Confident0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-120.2126.9172.4-172.10000109.2L253 A256 V257 M387 V388 L389 A390 K408 V410L253-V277 HydrophobicContact CD2-CG1 3.84Å; A256-V277 HydrophobicContact CB-CG2 4.18Å; V257-V277 HydrophobicContact CG2-CG2 4.49Å; V277-M387 HydrophobicContact CG2-CE 4.06Å; V277-V388 PolarHBondContact N-O 3.41Å; V277-L389 HydrophobicContact CB-CD2 3.81Å; V277-L389 HydrophobicContact CG1-CD2 4.45Å; V277-L389 HydrophobicContact CG2-CD2 4.34Å; V277-L389 WeakPolarHBondContact O-CA 3.38Å; V277-A390 PolarHBondContact O-N 2.98Å; V277-K408 CarbonylContact C-O 3.55Å; V277-K408 WeakPolarHBondContact CA-O 3.41Å; V277-K408 HydrophobicContact CG1-CB 4.18Å; V277-K408 HydrophobicContact CG1-CG 4.31Å; V277-K408 HydrophobicContact CG2-CB 4.21Å; V277-V410 HydrophobicContact CG1-CG2 3.97Å
278L95Very high89.7Confident0 Ų046.2 Ų46.20%025%0.248CC..EExtended strand (participates in β ladder)trans-105.4120.4175.9177.164.6000110.3V280 I342 A390 T392 I398 L406 K408 R409 V410 W517L278-V280 HydrophobicContact CD1-CG1 4.33Å; L278-V280 HydrophobicContact CD2-CG1 3.64Å; L278-V280 HydrophobicContact CG-CG1 3.58Å; L278-I342 HydrophobicContact CD1-CG2 4.26Å; L278-A390 CarbonylContact C-O 3.59Å; L278-A390 WeakPolarHBondContact CA-O 3.36Å; L278-A390 HydrophobicContact CD1-CB 3.79Å; L278-T392 HydrophobicContact CD1-CG2 3.83Å; L278-T392 HydrophobicContact CG-CG2 4.47Å; L278-I398 HydrophobicContact CD1-CD1 3.97Å; L278-I398 HydrophobicContact CD2-CD1 3.72Å; L278-L406 HydrophobicContact CB-CB 3.9Å; L278-L406 HydrophobicContact CB-CD1 4.02Å; L278-L406 HydrophobicContact CB-CG 4.37Å; L278-L406 HydrophobicContact CD1-CD1 4.05Å; L278-L406 HydrophobicContact CD2-CD1 4.29Å; L278-L406 HydrophobicContact CG-CD1 4.33Å; L278-K408 PolarHBondContact N-O 2.85Å; L278-R409 HydrophobicContact CB-CG 4.35Å; L278-R409 HydrophobicContact CD2-CG 4.37Å; L278-R409 CarbonylContact O-C 3.55Å; L278-R409 WeakPolarHBondContact O-CA 3.44Å; L278-V410 PolarHBondContact O-N 3Å; L278-W517 HydrophobicContact CD2-CH2 4.18Å
279M95.6Very high90.3Very high0 Ų044 Ų440%024%0.241CC..EExtended strand (participates in β ladder)trans-91.3120168.3-63.3177-75.700109.4L253 K287 L290 A291 F338 A390 A391 T392 V410 I412L253-M279 HydrophobicContact CD1-SD 4.3Å; M279-K287 HydrophobicContact CB-CD 4.21Å; M279-K287 HydrophobicContact CB-CG 4.26Å; M279-L290 HydrophobicContact SD-CB 4.19Å; M279-L290 HydrophobicContact SD-CD2 3.89Å; M279-L290 HydrophobicContact SD-CG 4.38Å; M279-A291 HydrophobicContact CE-CB 3.86Å; M279-F338 HydrophobicContact CE-CD2 4.17Å; M279-F338 HydrophobicContact CE-CE2 3.57Å; M279-A390 PolarHBondContact N-O 2.87Å; M279-A391 HydrophobicContact CE-CB 4.37Å; M279-A391 WeakPolarHBondContact O-CA 3.42Å; M279-T392 PolarHBondContact O-N 3.42Å; M279-T392 VanDerWaalsContact O-N 3.11Å; M279-V410 WeakPolarHBondContact CA-O 3.37Å; M279-I412 HydrophobicContact CB-CG1 4.2Å
280V95.3Very high90.8Very high0 Ų041 Ų410%021%0.211CC..EExtended strand (participates in β ladder)trans-116.4143.2179.5-520000110.1L278 T392 P395 V410 Y411 I412 W517 M518L278-V280 HydrophobicContact CD1-CG1 4.33Å; L278-V280 HydrophobicContact CD2-CG1 3.64Å; L278-V280 HydrophobicContact CG-CG1 3.58Å; V280-T392 HydrophobicContact CB-CG2 4.35Å; V280-T392 HydrophobicContact CG1-CG2 3.86Å; V280-P395 HydrophobicContact CB-CB 4.13Å; V280-P395 HydrophobicContact CB-CG 4.24Å; V280-P395 HydrophobicContact CG1-CB 3.76Å; V280-P395 HydrophobicContact CG1-CG 4.4Å; V280-V410 PolarHBondContact N-O 3.43Å; V280-Y411 HydrophobicContact CG2-CD2 4.18Å; V280-Y411 CarbonylContact O-C 3.57Å; V280-Y411 WeakPolarHBondContact O-CA 3.35Å; V280-Y411 WeakPolarHBondContact O-CD2 3.31Å; V280-I412 PolarHBondContact O-N 3.34Å; V280-W517 HydrophobicContact CB-CZ3 4.47Å; V280-W517 HydrophobicContact CG1-CH2 4.11Å; V280-W517 HydrophobicContact CG1-CZ3 3.85Å; V280-W517 HydrophobicContact CG2-CE3 4.37Å; V280-W517 HydrophobicContact CG2-CZ3 4.08Å; V280-M518 HydrophobicContact CG2-CG 4.06Å; V280-M518 HydrophobicContact CG2-SD 3.36Å; V280-M518 WeakPolarHBondContact CG2-SD 3.47Å
281G95Very high91.2Very high0 Ų033 Ų330%017%0.17CC..  trans157.6177.2171.200000112.5K287 N393G281-K287 PolarHBondContact O-NZ 3.41Å; G281-N393 PolarHBondContact O-OD1 2.97Å
282P95.5Very high91.7Very high0 Ų029.7 Ų29.70%016%0.159CC..  trans-56.7157.3-178.1-19.629.2000113.1T285 K287 I412 L414 V506 Y514P282-T285 HydrophobicContact CB-CG2 4.17Å; P282-T285 HydrophobicContact CG-CG2 4.48Å; P282-T285 PolarHBondContact O-OG1 3.03Å; P282-K287 PolarHBondContact O-NZ 2.78Å; P282-I412 WeakPolarHBondContact CD-O 3.23Å; P282-L414 HydrophobicContact CB-CD2 4.26Å; P282-L414 HydrophobicContact CG-CD2 4.29Å; P282-L414 HydrophobicContact CG-CG 4.26Å; P282-V506 HydrophobicContact CB-CG1 4.02Å; P282-V506 HydrophobicContact CB-CG2 3.69Å; P282-V506 HydrophobicContact CG-CG1 4.22Å; P282-Y514 HydrophobicContact CB-CE2 4.07Å; P282-Y514 HydrophobicContact CG-CD2 3.87Å; P282-Y514 HydrophobicContact CG-CE2 3.64Å
283P94.1Very high92.2Very high55 Ų5524.7 Ų24.736%0.35714%0.14SC..THydrogen-bonded Turntrans-62.7154.617328.5-35.3000111T285 N393 V506P283-T285 VanDerWaalsContact C-N 3.31Å; P283-T285 PolarHBondContact O-N 2.93Å; P283-N393 WeakPolarHBondContact CA-OD1 3.49Å; P283-V506 HydrophobicContact CG-CG2 4.47Å
284G93.3Very high92.6Very high33 Ų3322.3 Ų22.334%0.3412%0.124SC..THydrogen-bonded Turntrans7412174.800000116.1G451 A452G284-G451 WeakPolarHBondContact O-CA 3.11Å; G284-G451 PolarHBondContact O-N 2.68Å; G284-A452 PolarHBondContact O-N 3.33Å; G284-A452 VanDerWaalsContact O-N 3.09Å
285T94.3Very high92.9Very high13 Ų1317 Ų178%0.0810%0.104CC..SBendtrans-93.50.9179.158.60000114.8P282 P283 I412 L414P282-T285 HydrophobicContact CB-CG2 4.17Å; P282-T285 HydrophobicContact CG-CG2 4.48Å; P282-T285 PolarHBondContact O-OG1 3.03Å; P283-T285 VanDerWaalsContact C-N 3.31Å; P283-T285 PolarHBondContact O-N 2.93Å; T285-I412 WeakPolarHBondContact OG1-CG2 3.42Å; T285-L414 HydrophobicContact CG2-CD2 4.06Å
286G92.8Very high93.5Very high26 Ų2615.9 Ų15.927%0.26810%0.102SC..  trans91.920.9173.700000116.1T288 L289 L290G286-T288 PolarHBondContact O-N 3.44Å; G286-L289 WeakPolarHBondContact O-CB 3.33Å; G286-L289 PolarHBondContact O-N 2.76Å; G286-L289 VanDerWaalsContact O-N 3.08Å; G286-L290 WeakPolarHBondContact O-CB 3.44Å; G286-L290 PolarHBondContact O-N 3.36Å
287K94.6Very high93.4Very high10 Ų1019.4 Ų19.44%0.04312%0.118CC..Hα-helixtrans-50.8-49.7175.9-65.2-174.1-70.6-79.30113.1M279 G281 P282 L289 L290 A291 A391 T392 N393 I412M279-K287 HydrophobicContact CB-CD 4.21Å; M279-K287 HydrophobicContact CB-CG 4.26Å; G281-K287 PolarHBondContact O-NZ 3.41Å; P282-K287 PolarHBondContact O-NZ 2.78Å; K287-L289 VanDerWaalsContact C-N 3.34Å; K287-L289 PolarHBondContact O-N 3.22Å; K287-L290 WeakPolarHBondContact O-CB 3.09Å; K287-L290 PolarHBondContact O-N 3.03Å; K287-A291 PolarHBondContact O-N 2.84Å; K287-A391 HydrophobicContact CB-CB 4.01Å; K287-A391 HydrophobicContact CD-CB 4.12Å; K287-T392 WeakPolarHBondContact CE-O 3.38Å; K287-N393 WeakPolarHBondContact CE-OD1 3.38Å; K287-N393 PolarHBondContact NZ-OD1 3.09Å; K287-I412 HydrophobicContact CG-CB 4.27Å; K287-I412 HydrophobicContact CG-CG1 4.01Å
288T92.7Very high93Very high44 Ų4420.4 Ų20.427%0.2713%0.125SC..Hα-helixtrans-64.9-36.8177.5-42.30000112.3G286 K292 F338 D340G286-T288 PolarHBondContact O-N 3.44Å; T288-K292 WeakPolarHBondContact O-CG 3.43Å; T288-K292 PolarHBondContact O-N 3.03Å; T288-K292 VanDerWaalsContact O-N 3.16Å; T288-F338 HydrophobicContact CG2-CE1 3.71Å; T288-F338 HydrophobicContact CG2-CZ 4.32Å; T288-D340 PolarHBondContact OG1-OD2 3.25Å
289L93Very high92.6Very high73 Ų7323.4 Ų23.438%0.38216%0.156SC..Hα-helixtrans-67.1-40176.4-16968.7000110.9V238 I243 G286 K287 K292 A293V238-L289 HydrophobicContact CB-CD1 4.45Å; V238-L289 HydrophobicContact CG1-CD1 3.63Å; V238-L289 HydrophobicContact CG1-CG 3.97Å; V238-L289 HydrophobicContact CG2-CD1 3.93Å; I243-L289 HydrophobicContact CD1-CD2 4.46Å; I243-L289 HydrophobicContact CD1-CG 4.09Å; I243-L289 HydrophobicContact CG1-CD2 3.87Å; I243-L289 HydrophobicContact CG1-CG 3.97Å; G286-L289 WeakPolarHBondContact O-CB 3.33Å; G286-L289 PolarHBondContact O-N 2.76Å; G286-L289 VanDerWaalsContact O-N 3.08Å; K287-L289 VanDerWaalsContact C-N 3.34Å; K287-L289 PolarHBondContact O-N 3.22Å; L289-K292 PolarHBondContact O-N 3.02Å; L289-A293 PolarHBondContact O-N 3.33Å
290L94Very high92.3Very high0 Ų023.7 Ų23.70%016%0.158CC..Hα-helixtrans-64.2-43.2176.8-159.570000111.7W240 I243 A249 K250 L253 M279 G286 K287 K292 A293 V294 I412W240-L290 HydrophobicContact CE3-CD1 4.4Å; W240-L290 HydrophobicContact CZ3-CD1 3.64Å; W240-L290 HydrophobicContact CZ3-CG 4.34Å; I243-L290 HydrophobicContact CD1-CB 4.42Å; I243-L290 HydrophobicContact CD1-CD1 3.81Å; I243-L290 HydrophobicContact CG2-CD1 4.39Å; A249-L290 HydrophobicContact CB-CD2 4.2Å; K250-L290 HydrophobicContact CG-CD1 4.16Å; L253-L290 HydrophobicContact CD1-CD1 4.31Å; L253-L290 HydrophobicContact CD1-CD2 3.28Å; L253-L290 HydrophobicContact CD1-CG 3.46Å; L253-L290 VanDerWaalsContact CD1-CG 3.46Å; M279-L290 HydrophobicContact SD-CB 4.19Å; M279-L290 HydrophobicContact SD-CD2 3.89Å; M279-L290 HydrophobicContact SD-CG 4.38Å; G286-L290 WeakPolarHBondContact O-CB 3.44Å; G286-L290 PolarHBondContact O-N 3.36Å; K287-L290 WeakPolarHBondContact O-CB 3.09Å; K287-L290 PolarHBondContact O-N 3.03Å; L290-K292 VanDerWaalsContact C-N 3.35Å; L290-K292 PolarHBondContact O-N 3.28Å; L290-A293 PolarHBondContact O-N 2.85Å; L290-V294 WeakPolarHBondContact O-CG2 3.47Å; L290-V294 PolarHBondContact O-N 3.28Å; L290-I412 HydrophobicContact CD2-CD1 3.59Å; L290-I412 HydrophobicContact CD2-CG1 4.49Å
291A93.5Very high92.1Very high0 Ų024.9 Ų24.90%017%0.165CC..Hα-helixtrans-60.7-42.3174.300000112.7M279 K287 A293 V294 A295 F302 F338 L389M279-A291 HydrophobicContact CE-CB 3.86Å; K287-A291 PolarHBondContact O-N 2.84Å; A291-A293 VanDerWaalsContact C-N 3.33Å; A291-A293 PolarHBondContact O-N 3.08Å; A291-V294 PolarHBondContact O-N 2.85Å; A291-A295 PolarHBondContact O-N 3.31Å; A291-F302 HydrophobicContact CB-CE2 4.11Å; A291-F302 HydrophobicContact CB-CZ 4.12Å; A291-F338 HydrophobicContact CB-CB 4.4Å; A291-F338 HydrophobicContact CB-CD1 4.31Å; A291-F338 HydrophobicContact CB-CD2 3.39Å; A291-F338 HydrophobicContact CB-CE2 3.63Å; A291-F338 HydrophobicContact CB-CG 3.76Å; A291-F338 HydrophobicContact CB-CZ 4.19Å; A291-L389 HydrophobicContact CB-CD1 3.84Å
292K93.1Very high92Very high53 Ų5324.9 Ų24.923%0.2317%0.165CC..Hα-helixtrans-63.9-37.7175.4-75.4-179.7179.2-174.50112.5P236 V238 T288 L289 L290 A295 T296 F302P236-K292 HydrophobicContact CB-CB 3.88Å; P236-K292 HydrophobicContact CB-CD 4.15Å; P236-K292 HydrophobicContact CB-CG 3.81Å; P236-K292 HydrophobicContact CG-CB 4.3Å; P236-K292 HydrophobicContact CG-CG 4.48Å; V238-K292 HydrophobicContact CB-CB 4.08Å; V238-K292 HydrophobicContact CG2-CB 3.85Å; V238-K292 HydrophobicContact CG2-CD 4.29Å; T288-K292 WeakPolarHBondContact O-CG 3.43Å; T288-K292 PolarHBondContact O-N 3.03Å; T288-K292 VanDerWaalsContact O-N 3.16Å; L289-K292 PolarHBondContact O-N 3.02Å; L290-K292 VanDerWaalsContact C-N 3.35Å; L290-K292 PolarHBondContact O-N 3.28Å; K292-A295 PolarHBondContact O-N 3.03Å; K292-T296 PolarHBondContact O-N 3.47Å; K292-T296 PolarHBondContact O-OG1 3.16Å; K292-F302 HydrophobicContact CG-CE1 3.83Å; K292-F302 HydrophobicContact CG-CZ 3.95Å
293A92.8Very high91.9Very high0 Ų025 Ų250%017%0.165CC..Hα-helixtrans-64.3-46174.300000111.8V238 W240 I243 L289 L290 A291 A295 T296 E297V238-A293 HydrophobicContact CG1-CB 4.05Å; V238-A293 WeakPolarHBondContact O-CA 3.38Å; W240-A293 HydrophobicContact CD2-CB 4.37Å; W240-A293 HydrophobicContact CE3-CB 3.89Å; W240-A293 HydrophobicContact CZ3-CB 3.99Å; I243-A293 HydrophobicContact CD1-CB 3.55Å; L289-A293 PolarHBondContact O-N 3.33Å; L290-A293 PolarHBondContact O-N 2.85Å; A291-A293 VanDerWaalsContact C-N 3.33Å; A291-A293 PolarHBondContact O-N 3.08Å; A293-A295 VanDerWaalsContact C-N 3.31Å; A293-A295 PolarHBondContact O-N 3.48Å; A293-T296 PolarHBondContact O-N 3.46Å; A293-E297 WeakPolarHBondContact O-CB 3.48Å; A293-E297 WeakPolarHBondContact O-CG 3.4Å; A293-E297 PolarHBondContact O-N 3.21Å
294V91.6Very high91.8Very high0 Ų024.2 Ų24.20%016%0.158CC..Hα-helixtrans-54-48.7174.3172.90000111.2W240 L253 V257 L290 A291 T296 E297 C298 L389W240-V294 HydrophobicContact CH2-CB 4.46Å; W240-V294 HydrophobicContact CH2-CG2 3.45Å; W240-V294 VanDerWaalsContact CH2-CG2 3.45Å; W240-V294 HydrophobicContact CZ2-CG2 4Å; W240-V294 HydrophobicContact CZ3-CG2 4.4Å; L253-V294 HydrophobicContact CB-CG2 4.04Å; L253-V294 HydrophobicContact CD1-CG2 4Å; L253-V294 HydrophobicContact CD2-CG2 4.4Å; L253-V294 HydrophobicContact CG-CG2 4.4Å; V257-V294 HydrophobicContact CB-CG1 3.93Å; V257-V294 HydrophobicContact CG1-CG1 3.45Å; V257-V294 VanDerWaalsContact CG1-CG1 3.45Å; V257-V294 HydrophobicContact CG2-CG1 4.13Å; L290-V294 WeakPolarHBondContact O-CG2 3.47Å; L290-V294 PolarHBondContact O-N 3.28Å; A291-V294 PolarHBondContact O-N 2.85Å; V294-T296 PolarHBondContact O-N 2.78Å; V294-E297 PolarHBondContact O-N 3.29Å; V294-C298 WeakPolarHBondContact O-CB 3.33Å; V294-C298 PolarHBondContact O-N 3.15Å; V294-C298 PolarHBondContact O-SG 3.32Å; V294-C298 VanDerWaalsContact O-SG 3.4Å; V294-L389 HydrophobicContact CB-CD1 4.24Å; V294-L389 HydrophobicContact CG1-CD1 4.16Å
295A91.5Very high91.7Very high1 Ų122.6 Ų22.61%0.00814%0.142CC..Hα-helixtrans-64.7-39.2-178.900000113.2P236 A291 K292 A293 G299 T300 F302P236-A295 HydrophobicContact CG-CB 4.11Å; A291-A295 PolarHBondContact O-N 3.31Å; K292-A295 PolarHBondContact O-N 3.03Å; A293-A295 VanDerWaalsContact C-N 3.31Å; A293-A295 PolarHBondContact O-N 3.48Å; A295-G299 PolarHBondContact O-N 3.5Å; A295-T300 PolarHBondContact O-N 3.44Å; A295-T300 VanDerWaalsContact O-N 3.11Å; A295-F302 HydrophobicContact CB-CB 3.89Å; A295-F302 HydrophobicContact CB-CD2 3.39Å; A295-F302 HydrophobicContact CB-CE2 4.13Å; A295-F302 HydrophobicContact CB-CG 3.92Å
296T91.1Very high91.3Very high26 Ų2623.8 Ų23.816%0.1615%0.151CC..Hα-helixtrans-66.7-39.8177.3-56.40000111.7P236 N237 V238 K292 A293 V294 G299P236-T296 WeakPolarHBondContact CG-OG1 3.35Å; N237-T296 PolarHBondContact N-OG1 2.79Å; V238-T296 PolarHBondContact N-OG1 3.06Å; V238-T296 WeakPolarHBondContact O-CB 3.33Å; V238-T296 WeakPolarHBondContact O-CG2 3.36Å; V238-T296 PolarHBondContact O-OG1 2.93Å; V238-T296 VanDerWaalsContact O-OG1 3.1Å; K292-T296 PolarHBondContact O-N 3.47Å; K292-T296 PolarHBondContact O-OG1 3.16Å; A293-T296 PolarHBondContact O-N 3.46Å; V294-T296 PolarHBondContact O-N 2.78Å; T296-G299 PolarHBondContact O-N 2.72Å
297E88.4Confident90.5Very high74 Ų7424.1 Ų24.135%0.34615%0.149SC..Hα-helixtrans-77.2-32-175.8-67.3-80.1160.500111.9W240 A293 V294W240-E297 VanDerWaalsContact CD1-CG 3.4Å; W240-E297 HydrophobicContact CD2-CG 4.31Å; W240-E297 HydrophobicContact CG-CG 4.09Å; W240-E297 PolarHBondContact N-OE1 3.34Å; A293-E297 WeakPolarHBondContact O-CB 3.48Å; A293-E297 WeakPolarHBondContact O-CG 3.4Å; A293-E297 PolarHBondContact O-N 3.21Å; V294-E297 PolarHBondContact O-N 3.29Å
298C85.7Confident89.6Confident20 Ų2027.3 Ų27.314%0.13517%0.173CC..Hα-helixtrans-82.5-14.1171.6-67.30000113.9V258 M261 V294 T300V258-C298 VanDerWaalsContact CG2-SG 3.6Å; M261-C298 HydrophobicContact CE-CB 4.49Å; M261-C298 HydrophobicContact SD-CB 3.63Å; V294-C298 WeakPolarHBondContact O-CB 3.33Å; V294-C298 PolarHBondContact O-N 3.15Å; V294-C298 PolarHBondContact O-SG 3.32Å; V294-C298 VanDerWaalsContact O-SG 3.4Å; C298-T300 VanDerWaalsContact C-N 3.32Å; C298-T300 HydrophobicContact CB-CG2 3.69Å; C298-T300 PolarHBondContact O-N 3.36Å
299G87.1Confident88.8Confident64 Ų6427 Ų2766%0.6617%0.172SC*.THydrogen-bonded Turntrans64.333.7-175.900000113.6A295 T296A295-G299 PolarHBondContact O-N 3.5Å; T296-G299 PolarHBondContact O-N 2.72Å
300T88.3Confident87.9Confident6 Ų623.6 Ų23.64%0.03715%0.154CC..PPolyproline II helixtrans-97150.6-177.763.10000112M261 A295 C298 F302 P334 T336M261-T300 HydrophobicContact CE-CG2 4Å; M261-T300 HydrophobicContact SD-CG2 4.06Å; A295-T300 PolarHBondContact O-N 3.44Å; A295-T300 VanDerWaalsContact O-N 3.11Å; C298-T300 VanDerWaalsContact C-N 3.32Å; C298-T300 HydrophobicContact CB-CG2 3.69Å; C298-T300 PolarHBondContact O-N 3.36Å; T300-F302 PolarHBondContact O-N 2.87Å; T300-P334 WeakPolarHBondContact CA-O 3.42Å; T300-P334 WeakPolarHBondContact CB-O 3.27Å; T300-P334 HydrophobicContact CG2-CB 3.94Å; T300-P334 HydrophobicContact CG2-CG 4.34Å; T300-T336 PolarHBondContact OG1-OG1 3.22Å
301T90.9Very high86.6Confident25 Ų2528.4 Ų28.415%0.15318%0.184CC..EExtended strand (participates in β ladder)trans-60.3125.5167.3-52.50000109.8V232 F303 Y332 P334 S335 T336V232-T301 HydrophobicContact CG1-CG2 3.73Å; T301-F303 HydrophobicContact CG2-CD2 4.27Å; T301-F303 HydrophobicContact CG2-CE2 3.62Å; T301-F303 HydrophobicContact CG2-CZ 4.09Å; T301-Y332 PolarHBondContact OG1-O 3.04Å; T301-P334 PolarHBondContact N-O 3.31Å; T301-P334 VanDerWaalsContact N-O 3.1Å; T301-S335 CarbonylContact O-C 3.58Å; T301-S335 WeakPolarHBondContact O-CA 3.46Å; T301-T336 PolarHBondContact O-N 2.71Å
302F93.9Very high85.3Confident0 Ų030.4 Ų30.40%020%0.198CC..EExtended strand (participates in β ladder)trans-100.5120.4-177.1-173-111.3000111Q233 P236 A291 K292 A295 T300 N304 T336 F338Q233-F302 HydrophobicContact CB-CB 4.41Å; Q233-F302 HydrophobicContact CB-CD1 4.21Å; Q233-F302 PolarHBondContact N-O 3.03Å; Q233-F302 WeakPolarHBondContact O-CA 3.48Å; Q233-F302 VanDerWaalsContact O-CB 3.25Å; Q233-F302 WeakPolarHBondContact O-CB 3.34Å; Q233-F302 PolarHBondContact O-N 2.97Å; P236-F302 HydrophobicContact CG-CB 4.25Å; P236-F302 HydrophobicContact CG-CG 4.39Å; A291-F302 HydrophobicContact CB-CE2 4.11Å; A291-F302 HydrophobicContact CB-CZ 4.12Å; K292-F302 HydrophobicContact CG-CE1 3.83Å; K292-F302 HydrophobicContact CG-CZ 3.95Å; A295-F302 HydrophobicContact CB-CB 3.89Å; A295-F302 HydrophobicContact CB-CD2 3.39Å; A295-F302 HydrophobicContact CB-CE2 4.13Å; A295-F302 HydrophobicContact CB-CG 3.92Å; T300-F302 PolarHBondContact O-N 2.87Å; F302-N304 HydrophobicContact CD1-CB 4.16Å; F302-N304 HydrophobicContact CE1-CB 3.78Å; F302-T336 WeakPolarHBondContact CA-O 3.45Å; F302-T336 HydrophobicContact CD2-CG2 4.11Å; F302-T336 HydrophobicContact CE2-CG2 4.29Å; F302-F338 HydrophobicContact CD2-CB 4.38Å; F302-F338 HydrophobicContact CE1-CB 4.28Å; F302-F338 HydrophobicContact CE2-CB 3.4Å; F302-F338 HydrophobicContact CE2-CG 4.13Å; F302-F338 HydrophobicContact CZ-CB 3.33Å; F302-F338 AromaticContact CZ-CD1 3.81Å; F302-F338 HydrophobicContact CZ-CD1 3.81Å; F302-F338 AromaticContact CZ-CG 3.73Å; F302-F338 HydrophobicContact CZ-CG 3.73Å
303F93.3Very high83.6Confident1 Ų137.9 Ų37.90%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-101.8108.1173.9-66.1-103.9000108.6I231 V232 T301 L325 M328 A329 Y332 S335 T336 I337 F338I231-F303 HydrophobicContact CG2-CB 3.72Å; I231-F303 HydrophobicContact CG2-CD1 4.03Å; I231-F303 HydrophobicContact CG2-CG 4.37Å; I231-F303 WeakPolarHBondContact O-CA 3.42Å; V232-F303 HydrophobicContact CG2-CD1 3.76Å; V232-F303 HydrophobicContact CG2-CE1 3.51Å; V232-F303 HydrophobicContact CG2-CZ 4.22Å; T301-F303 HydrophobicContact CG2-CD2 4.27Å; T301-F303 HydrophobicContact CG2-CE2 3.62Å; T301-F303 HydrophobicContact CG2-CZ 4.09Å; F303-L325 HydrophobicContact CB-CD1 4.14Å; F303-L325 HydrophobicContact CD1-CD1 3.66Å; F303-L325 HydrophobicContact CE1-CD1 4.46Å; F303-L325 HydrophobicContact CG-CD1 4.2Å; F303-M328 HydrophobicContact CE1-CB 3.94Å; F303-M328 HydrophobicContact CZ-CB 4.28Å; F303-A329 HydrophobicContact CD2-CB 4.19Å; F303-A329 HydrophobicContact CE2-CB 3.86Å; F303-A329 HydrophobicContact CZ-CB 4.03Å; F303-Y332 HydrophobicContact CZ-CD2 4.04Å; F303-S335 WeakPolarHBondContact CE2-OG 3.42Å; F303-T336 PolarHBondContact N-O 3.25Å; F303-I337 HydrophobicContact CB-CB 4.48Å; F303-I337 HydrophobicContact CB-CG1 4.24Å; F303-I337 HydrophobicContact CB-CG2 4.47Å; F303-I337 HydrophobicContact CD2-CG1 4.43Å; F303-I337 HydrophobicContact CG-CG1 4.46Å; F303-F338 PolarHBondContact O-N 3.15Å
304N92.6Very high81.9Confident39 Ų3946.6 Ų46.621%0.20926%0.263CS..EExtended strand (participates in β ladder)trans-93.1100.3179.3-173.724.4000111.1I231 F302 F338I231-N304 PolarHBondContact O-N 3.28Å; F302-N304 HydrophobicContact CD1-CB 4.16Å; F302-N304 HydrophobicContact CE1-CB 3.78Å; N304-F338 WeakPolarHBondContact OD1-CD1 3.38Å
305V91.2Very high80.3Confident0 Ų058.4 Ų58.40%031%0.308CS..EExtended strand (participates in β ladder)trans-105.6117.7-174.1-173.50000109.4I231 L310 L325 I337 F338 M339 D340I231-V305 HydrophobicContact CD1-CG2 4.21Å; I231-V305 HydrophobicContact CG2-CG2 3.75Å; V305-L310 HydrophobicContact CG1-CD1 3.6Å; V305-L310 HydrophobicContact CG1-CD2 4.01Å; V305-L310 HydrophobicContact CG1-CG 3.58Å; V305-L325 HydrophobicContact CG1-CD2 4.39Å; V305-L325 HydrophobicContact CG2-CD1 3.93Å; V305-L325 HydrophobicContact CG2-CD2 3.69Å; V305-L325 HydrophobicContact CG2-CG 4.47Å; V305-I337 HydrophobicContact CG2-CG2 3.99Å; V305-F338 WeakPolarHBondContact CA-O 3.1Å; V305-F338 WeakPolarHBondContact CB-O 3.38Å; V305-F338 PolarHBondContact N-O 3.43Å; V305-M339 HydrophobicContact CB-CG 4.42Å; V305-M339 HydrophobicContact CG1-CE 4.48Å; V305-M339 WeakPolarHBondContact O-CA 3.11Å; V305-D340 PolarHBondContact O-N 3.02Å
306S84.9Confident79.2Confident37 Ų3759.6 Ų59.626%0.25932%0.32SS..  trans-102165.8166.666.90000110.7S308 S309 L310S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.25Å; S306-S308 PolarHBondContact OG-OG 3.22Å; S306-S309 WeakPolarHBondContact O-CB 3.29Å; S306-S309 PolarHBondContact O-N 3.17Å; S306-S309 PolarHBondContact OG-N 3.48Å; S306-S309 PolarHBondContact OG-OG 3.14Å; S306-S309 VanDerWaalsContact OG-OG 3.05Å; S306-L310 PolarHBondContact O-N 3.09Å
307S77Confident78.6Confident33 Ų3360.7 Ų60.723%0.23132%0.323CS..Hα-helixtrans-54.8-42.7174.859.60000113S309 L310 T311 S344S307-S309 VanDerWaalsContact C-N 3.26Å; S307-S309 PolarHBondContact O-N 3.24Å; S307-L310 PolarHBondContact O-N 3.47Å; S307-T311 PolarHBondContact O-N 2.84Å; S307-T311 PolarHBondContact O-OG1 3.1Å; S307-S344 WeakPolarHBondContact CB-OG 3.3Å
308S75.7Confident78.3Confident78 Ų7857.8 Ų57.855%0.54531%0.311SS..Hα-helixtrans-61.6-34.3176.759.50000112.8S306 L310 T311S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.25Å; S306-S308 PolarHBondContact OG-OG 3.22Å; S308-L310 VanDerWaalsContact C-N 3.26Å; S308-L310 PolarHBondContact O-N 3.42Å; S308-T311 PolarHBondContact O-N 3.22Å; S308-T311 PolarHBondContact O-OG1 3.38Å; S308-T311 VanDerWaalsContact O-OG1 3.13Å
309S74.7Confident78.3Confident36 Ų3659.8 Ų59.825%0.25232%0.319SS..Hα-helixtrans-70.3-23.6-179.8-55.70000112.5S306 S307 L321S306-S309 WeakPolarHBondContact O-CB 3.29Å; S306-S309 PolarHBondContact O-N 3.17Å; S306-S309 PolarHBondContact OG-N 3.48Å; S306-S309 PolarHBondContact OG-OG 3.14Å; S306-S309 VanDerWaalsContact OG-OG 3.05Å; S307-S309 VanDerWaalsContact C-N 3.26Å; S307-S309 PolarHBondContact O-N 3.24Å; S309-L321 WeakPolarHBondContact O-CD2 3.47Å
310L74Confident78.3Confident3 Ų362.1 Ų62.12%0.01631%0.311CS..Hα-helixtrans-96.1-12.5179.1-67.2-179.3000114.2V305 S306 S307 S308 S318 L321 V322 L325 M339 I345V305-L310 HydrophobicContact CG1-CD1 3.6Å; V305-L310 HydrophobicContact CG1-CD2 4.01Å; V305-L310 HydrophobicContact CG1-CG 3.58Å; S306-L310 PolarHBondContact O-N 3.09Å; S307-L310 PolarHBondContact O-N 3.47Å; S308-L310 VanDerWaalsContact C-N 3.26Å; S308-L310 PolarHBondContact O-N 3.42Å; L310-S318 WeakPolarHBondContact O-CB 3.35Å; L310-L321 HydrophobicContact CD2-CD2 4.13Å; L310-L321 HydrophobicContact CD2-CG 4.46Å; L310-V322 HydrophobicContact CD1-CG2 4.32Å; L310-V322 HydrophobicContact CD2-CG2 4.07Å; L310-L325 HydrophobicContact CD2-CD2 4.45Å; L310-M339 HydrophobicContact CD1-CE 3.89Å; L310-I345 HydrophobicContact CD1-CD1 3.82Å
311T68.1Low78.2Confident101 Ų10162.5 Ų62.562%0.6231%0.312SS*.  trans-92.8110.5176.954.50000110.6S307 S308S307-T311 PolarHBondContact O-N 2.84Å; S307-T311 PolarHBondContact O-OG1 3.1Å; S308-T311 PolarHBondContact O-N 3.22Å; S308-T311 PolarHBondContact O-OG1 3.38Å; S308-T311 VanDerWaalsContact O-OG1 3.13Å
312S65Low78.2Confident41 Ų4161.3 Ų61.329%0.28731%0.305SS..  trans-98.6157170.864.50000111W314 E317 S318S312-W314 PolarHBondContact O-N 3.35Å; S312-W314 PolarHBondContact OG-O 3.35Å; S312-E317 VanDerWaalsContact OG-CB 3.27Å; S312-E317 WeakPolarHBondContact OG-CB 3.47Å; S312-S318 PolarHBondContact OG-OG 3.04Å
313K58.5Low78Confident211 Ų21165.4 Ų65.492%0.91732%0.32SS*.SBendtrans-68.4-20175.3-67.9-177.1179.6179.10112.6
314W56.1Low77.8Confident183 Ų18365.4 Ų65.469%0.69332%0.321SS*.SBendtrans-100.5130.7-171.3-55107.9000111.7S312 G316 E317S312-W314 PolarHBondContact O-N 3.35Å; S312-W314 PolarHBondContact OG-O 3.35Å; W314-G316 PolarHBondContact O-N 3.47Å; W314-E317 HydrophobicContact CB-CB 4.41Å; W314-E317 HydrophobicContact CB-CG 4.02Å; W314-E317 WeakPolarHBondContact CB-OE1 3.49Å; W314-E317 WeakPolarHBondContact CB-OE2 3.4Å; W314-E317 PolarHBondContact O-N 3.13Å
315R58.2Low77.7Confident248 Ų24863.6 Ų63.694%0.93631%0.311SS*.THydrogen-bonded Turntrans-61.6125.5179.9-77.4-175.9161.687.2-0.1110.9
316G69.3Low77.7Confident26 Ų2663.6 Ų63.627%0.26831%0.311SS..THydrogen-bonded Turntrans87.7-5.7174.400000115.1W314 E319W314-G316 PolarHBondContact O-N 3.47Å; G316-E319 WeakPolarHBondContact O-CG 3.43Å
317E77.4Confident77.9Confident48 Ų4864 Ų6422%0.22431%0.31CS..Hα-helixtrans-75.1-30.2172.1-80.7179.1-167.300112.3S312 W314 E319 K320 L321S312-E317 VanDerWaalsContact OG-CB 3.27Å; S312-E317 WeakPolarHBondContact OG-CB 3.47Å; W314-E317 HydrophobicContact CB-CB 4.41Å; W314-E317 HydrophobicContact CB-CG 4.02Å; W314-E317 WeakPolarHBondContact CB-OE1 3.49Å; W314-E317 WeakPolarHBondContact CB-OE2 3.4Å; W314-E317 PolarHBondContact O-N 3.13Å; E317-E319 PolarHBondContact O-N 2.79Å; E317-K320 PolarHBondContact O-N 3.05Å; E317-L321 WeakPolarHBondContact O-CB 3.5Å; E317-L321 PolarHBondContact O-N 3.41Å
318S82.9Confident78.5Confident13 Ų1362.5 Ų62.59%0.09130%0.299CS..Hα-helixtrans-63.2-37.2-175.8-42.40000113.3L310 S312 L321 V322L310-S318 WeakPolarHBondContact O-CB 3.35Å; S312-S318 PolarHBondContact OG-OG 3.04Å; S318-L321 WeakPolarHBondContact O-CB 3.42Å; S318-L321 PolarHBondContact O-N 3.2Å; S318-V322 WeakPolarHBondContact O-CG2 3.35Å; S318-V322 PolarHBondContact O-N 2.81Å
319E85.5Confident79.2Confident62 Ų6258.8 Ų58.829%0.2927%0.274SS..Hα-helixtrans-70.6-39.1174.461.6-176.6-155.600112.1G316 E317 L321 V322 R323 E364G316-E319 WeakPolarHBondContact O-CG 3.43Å; E317-E319 PolarHBondContact O-N 2.79Å; E319-L321 PolarHBondContact O-N 2.92Å; E319-V322 PolarHBondContact O-N 3.33Å; E319-R323 PolarHBondContact O-N 2.83Å; E319-R323 VanDerWaalsContact O-N 3.09Å; E319-E364 HydrophobicContact CB-CB 4.31Å; E319-E364 HydrophobicContact CB-CG 4.46Å
320K86.6Confident79.8Confident113 Ų11361 Ų6149%0.49128%0.277SS..Hα-helixtrans-63.1-36.4174.9-66.5-179.6-178.2178.20111E317 R323 L324E317-K320 PolarHBondContact O-N 3.05Å; K320-R323 PolarHBondContact O-N 3.13Å; K320-L324 VanDerWaalsContact O-CB 3.31Å; K320-L324 WeakPolarHBondContact O-CB 3.42Å; K320-L324 PolarHBondContact O-N 3.11Å
321L87.6Confident80.5Confident14 Ų1464.7 Ų64.77%0.07329%0.293CS..Hα-helixtrans-65.5-41.4178.1-162.274.3000112L223 L227 S309 L310 E317 S318 E319 L324 L325L223-L321 HydrophobicContact CD2-CD1 4.45Å; L227-L321 HydrophobicContact CD1-CD1 3.6Å; L227-L321 HydrophobicContact CD1-CG 4.23Å; L227-L321 HydrophobicContact CD2-CD1 3.72Å; L227-L321 HydrophobicContact CD2-CD2 4.39Å; L227-L321 HydrophobicContact CD2-CG 3.97Å; L227-L321 HydrophobicContact CG-CD1 3.66Å; L227-L321 HydrophobicContact CG-CG 4.4Å; S309-L321 WeakPolarHBondContact O-CD2 3.47Å; L310-L321 HydrophobicContact CD2-CD2 4.13Å; L310-L321 HydrophobicContact CD2-CG 4.46Å; E317-L321 WeakPolarHBondContact O-CB 3.5Å; E317-L321 PolarHBondContact O-N 3.41Å; S318-L321 WeakPolarHBondContact O-CB 3.42Å; S318-L321 PolarHBondContact O-N 3.2Å; E319-L321 PolarHBondContact O-N 2.92Å; L321-L324 PolarHBondContact O-N 3.47Å; L321-L325 VanDerWaalsContact O-CB 3.29Å; L321-L325 WeakPolarHBondContact O-CB 3.41Å; L321-L325 PolarHBondContact O-N 3.49Å
322V89.7Confident81.4Confident0 Ų061.7 Ų61.70%027%0.27CS..Hα-helixtrans-62.2-44.1173175.20000110.7L310 S318 E319 L325 F326 V361 E364 L365 Q368L310-V322 HydrophobicContact CD1-CG2 4.32Å; L310-V322 HydrophobicContact CD2-CG2 4.07Å; S318-V322 WeakPolarHBondContact O-CG2 3.35Å; S318-V322 PolarHBondContact O-N 2.81Å; E319-V322 PolarHBondContact O-N 3.33Å; V322-L325 WeakPolarHBondContact O-CB 3.17Å; V322-L325 PolarHBondContact O-N 3.46Å; V322-F326 HydrophobicContact CG1-CD2 4.23Å; V322-F326 HydrophobicContact CG1-CE2 4.27Å; V322-F326 WeakPolarHBondContact O-CD2 3.24Å; V322-F326 PolarHBondContact O-N 3.08Å; V322-V361 HydrophobicContact CG2-CG1 3.91Å; V322-E364 HydrophobicContact CB-CG 3.99Å; V322-E364 HydrophobicContact CG1-CB 4.39Å; V322-E364 HydrophobicContact CG1-CG 3.88Å; V322-L365 HydrophobicContact CG1-CB 4.2Å; V322-L365 HydrophobicContact CG1-CD1 4.33Å; V322-Q368 HydrophobicContact CG1-CG 4.17Å
323R89.3Confident82.4Confident86 Ų8660.8 Ų60.833%0.32527%0.265SS..Hα-helixtrans-61.7-47.9177-168.3172.9-58.2123.53.5112.2E319 K320 L325 F326 D327 E364E319-R323 PolarHBondContact O-N 2.83Å; E319-R323 VanDerWaalsContact O-N 3.09Å; K320-R323 PolarHBondContact O-N 3.13Å; R323-L325 PolarHBondContact O-N 3.11Å; R323-F326 PolarHBondContact O-N 3.09Å; R323-D327 PolarHBondContact O-N 3.13Å; R323-E364 IonicContact CZ-OE1 3.55Å; R323-E364 IonicContact CZ-OE2 2.83Å; R323-E364 IonicContact NE-OE1 2.82Å; R323-E364 PolarHBondContact NE-OE1 2.91Å; R323-E364 IonicContact NH2-OE1 2.78Å; R323-E364 PolarHBondContact NH2-OE1 3.42Å; R323-E364 VanDerWaalsContact NH2-OE1 3.07Å; R323-E364 IonicContact NH2-OE2 2.65Å; R323-E364 PolarHBondContact NH2-OE2 3.17Å
324L89.3Confident83.8Confident1 Ų152.7 Ų52.71%0.00523%0.234CC..Hα-helixtrans-59.5-44.4177.4175.754.3000111.9F214 Y219 L223 V224 L227 K320 L321 F326 D327 M328F214-L324 HydrophobicContact CD1-CD1 4.39Å; F214-L324 HydrophobicContact CE1-CD1 3.48Å; F214-L324 VanDerWaalsContact CE1-CD1 3.48Å; F214-L324 HydrophobicContact CZ-CD1 3.86Å; Y219-L324 HydrophobicContact CD1-CB 3.81Å; Y219-L324 HydrophobicContact CD1-CD1 3.89Å; Y219-L324 HydrophobicContact CD1-CD2 4.05Å; Y219-L324 HydrophobicContact CD1-CG 4.12Å; Y219-L324 HydrophobicContact CD2-CD1 3.67Å; Y219-L324 HydrophobicContact CE1-CB 3.64Å; Y219-L324 HydrophobicContact CE1-CD1 4.15Å; Y219-L324 HydrophobicContact CE1-CG 4.35Å; Y219-L324 HydrophobicContact CE2-CD1 3.92Å; Y219-L324 HydrophobicContact CG-CB 4.46Å; Y219-L324 HydrophobicContact CG-CD1 3.65Å; Y219-L324 HydrophobicContact CG-CD2 4.24Å; Y219-L324 HydrophobicContact CG-CG 4.32Å; L223-L324 HydrophobicContact CB-CD2 4.21Å; V224-L324 HydrophobicContact CB-CD2 4.5Å; V224-L324 HydrophobicContact CG2-CD1 3.92Å; V224-L324 HydrophobicContact CG2-CD2 3.73Å; V224-L324 HydrophobicContact CG2-CG 4.45Å; L227-L324 HydrophobicContact CD1-CB 4.14Å; L227-L324 HydrophobicContact CD1-CD2 3.5Å; L227-L324 VanDerWaalsContact CD1-CD2 3.5Å; L227-L324 HydrophobicContact CD1-CG 3.54Å; K320-L324 VanDerWaalsContact O-CB 3.31Å; K320-L324 WeakPolarHBondContact O-CB 3.42Å; K320-L324 PolarHBondContact O-N 3.11Å; L321-L324 PolarHBondContact O-N 3.47Å; L324-F326 VanDerWaalsContact C-N 3.32Å; L324-F326 PolarHBondContact O-N 3.01Å; L324-D327 PolarHBondContact O-N 3.02Å; L324-M328 HydrophobicContact CD1-CG 3.87Å; L324-M328 HydrophobicContact CD1-SD 3.99Å; L324-M328 HydrophobicContact CG-CG 4.42Å; L324-M328 HydrophobicContact CG-SD 4.04Å; L324-M328 WeakPolarHBondContact O-CB 3.48Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.33Å; L324-M328 PolarHBondContact O-N 3.21Å
325L91.2Very high85.4Confident2 Ų244 Ų441%0.0120%0.202CC..Hα-helixtrans-53.9-48.2175.5168.468.3000111.6I231 F303 V305 L310 L321 V322 R323 A329 I337I231-L325 HydrophobicContact CG2-CD1 4.08Å; F303-L325 HydrophobicContact CB-CD1 4.14Å; F303-L325 HydrophobicContact CD1-CD1 3.66Å; F303-L325 HydrophobicContact CE1-CD1 4.46Å; F303-L325 HydrophobicContact CG-CD1 4.2Å; V305-L325 HydrophobicContact CG1-CD2 4.39Å; V305-L325 HydrophobicContact CG2-CD1 3.93Å; V305-L325 HydrophobicContact CG2-CD2 3.69Å; V305-L325 HydrophobicContact CG2-CG 4.47Å; L310-L325 HydrophobicContact CD2-CD2 4.45Å; L321-L325 VanDerWaalsContact O-CB 3.29Å; L321-L325 WeakPolarHBondContact O-CB 3.41Å; L321-L325 PolarHBondContact O-N 3.49Å; V322-L325 WeakPolarHBondContact O-CB 3.17Å; V322-L325 PolarHBondContact O-N 3.46Å; R323-L325 PolarHBondContact O-N 3.11Å; L325-A329 WeakPolarHBondContact O-CB 3.49Å; L325-A329 PolarHBondContact O-N 3.33Å; L325-I337 HydrophobicContact CD2-CG2 4.35Å
326F91.4Very high86.9Confident0 Ų032.3 Ų32.30%016%0.158CC..Hα-helixtrans-71-35.3-180-85.9-97.8000112.5V322 R323 L324 A329 R330 I337 L365 Q368 M369 V372 V388V322-F326 HydrophobicContact CG1-CD2 4.23Å; V322-F326 HydrophobicContact CG1-CE2 4.27Å; V322-F326 WeakPolarHBondContact O-CD2 3.24Å; V322-F326 PolarHBondContact O-N 3.08Å; R323-F326 PolarHBondContact O-N 3.09Å; L324-F326 VanDerWaalsContact C-N 3.32Å; L324-F326 PolarHBondContact O-N 3.01Å; F326-A329 PolarHBondContact O-N 3.18Å; F326-R330 VanDerWaalsContact O-CG 3.24Å; F326-R330 WeakPolarHBondContact O-CG 3.05Å; F326-R330 PolarHBondContact O-N 3.4Å; F326-I337 HydrophobicContact CD1-CD1 3.93Å; F326-I337 HydrophobicContact CD2-CD1 4.33Å; F326-I337 HydrophobicContact CE1-CD1 3.85Å; F326-I337 HydrophobicContact CE2-CD1 4.26Å; F326-I337 HydrophobicContact CG-CD1 4.19Å; F326-I337 HydrophobicContact CZ-CD1 4.03Å; F326-L365 HydrophobicContact CE2-CD1 3.71Å; F326-L365 HydrophobicContact CZ-CD1 4Å; F326-Q368 HydrophobicContact CB-CB 4.22Å; F326-Q368 HydrophobicContact CB-CG 4.22Å; F326-Q368 HydrophobicContact CD1-CB 3.77Å; F326-Q368 HydrophobicContact CD2-CB 3.54Å; F326-Q368 HydrophobicContact CD2-CG 3.92Å; F326-Q368 HydrophobicContact CE1-CB 3.91Å; F326-Q368 HydrophobicContact CE2-CB 3.7Å; F326-Q368 HydrophobicContact CE2-CG 4.43Å; F326-Q368 HydrophobicContact CG-CB 3.57Å; F326-Q368 HydrophobicContact CG-CG 4.03Å; F326-Q368 HydrophobicContact CZ-CB 3.87Å; F326-M369 HydrophobicContact CZ-CG 4.16Å; F326-V372 HydrophobicContact CD1-CG1 3.89Å; F326-V372 HydrophobicContact CE1-CG1 3.88Å; F326-V388 HydrophobicContact CE1-CG2 4.12Å; F326-V388 HydrophobicContact CZ-CG2 4.18Å
327D89.2Confident88.1Confident45 Ų4531.1 Ų31.124%0.24115%0.145CC..Hα-helixtrans-65.8-41.4174.7-73.9-9.4000111.7F214 Y219 R323 L324 R330 F331F214-D327 HydrophobicContact CE2-CB 4.23Å; F214-D327 HydrophobicContact CZ-CB 4.04Å; Y219-D327 PolarHBondContact OH-OD2 2.93Å; R323-D327 PolarHBondContact O-N 3.13Å; L324-D327 PolarHBondContact O-N 3.02Å; D327-R330 PolarHBondContact O-N 3.2Å; D327-R330 IonicContact OD1-NH1 3.39Å; D327-R330 PolarHBondContact OD1-NH1 3.37Å; D327-F331 WeakPolarHBondContact O-CB 3.25Å; D327-F331 PolarHBondContact O-N 3.4Å
328M89Confident88.9Confident1 Ų128.8 Ų28.81%0.00513%0.134CC..Hα-helixtrans-62.7-43.6172.4-70.7176.269.700111.7F214 V224 L227 E228 V232 F303 L324 R330 F331 Y332F214-M328 HydrophobicContact CD1-CG 3.92Å; F214-M328 HydrophobicContact CD2-CB 4.38Å; F214-M328 HydrophobicContact CD2-CG 3.88Å; F214-M328 HydrophobicContact CE1-CG 3.94Å; F214-M328 HydrophobicContact CE2-CB 4.41Å; F214-M328 HydrophobicContact CE2-CG 3.91Å; F214-M328 HydrophobicContact CG-CG 3.89Å; F214-M328 HydrophobicContact CZ-CG 3.93Å; V224-M328 HydrophobicContact CG1-SD 4.49Å; L227-M328 HydrophobicContact CB-CE 4.36Å; L227-M328 HydrophobicContact CB-SD 4Å; L227-M328 HydrophobicContact CD1-SD 3.98Å; E228-M328 HydrophobicContact CB-CE 4.35Å; E228-M328 HydrophobicContact CG-CE 3.27Å; V232-M328 HydrophobicContact CG2-CE 4.13Å; F303-M328 HydrophobicContact CE1-CB 3.94Å; F303-M328 HydrophobicContact CZ-CB 4.28Å; L324-M328 HydrophobicContact CD1-CG 3.87Å; L324-M328 HydrophobicContact CD1-SD 3.99Å; L324-M328 HydrophobicContact CG-CG 4.42Å; L324-M328 HydrophobicContact CG-SD 4.04Å; L324-M328 WeakPolarHBondContact O-CB 3.48Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.33Å; L324-M328 PolarHBondContact O-N 3.21Å; M328-R330 VanDerWaalsContact C-N 3.31Å; M328-R330 PolarHBondContact O-N 3Å; M328-F331 WeakPolarHBondContact O-CB 3.48Å; M328-F331 PolarHBondContact O-N 3.04Å; M328-Y332 HydrophobicContact CE-CE2 4.41Å; M328-Y332 VanDerWaalsContact O-CD2 3.25Å; M328-Y332 WeakPolarHBondContact O-CD2 3.41Å; M328-Y332 PolarHBondContact O-N 3.47Å
329A90.3Very high89.5Confident0 Ų028.2 Ų28.20%013%0.13CC..Hα-helixtrans-63.8-36.4177.500000112.5F303 L325 F326 A333 S335 I337 V386F303-A329 HydrophobicContact CD2-CB 4.19Å; F303-A329 HydrophobicContact CE2-CB 3.86Å; F303-A329 HydrophobicContact CZ-CB 4.03Å; L325-A329 WeakPolarHBondContact O-CB 3.49Å; L325-A329 PolarHBondContact O-N 3.33Å; F326-A329 PolarHBondContact O-N 3.18Å; A329-A333 PolarHBondContact O-N 2.94Å; A329-S335 VanDerWaalsContact O-CB 3.25Å; A329-S335 WeakPolarHBondContact O-CB 3.37Å; A329-S335 PolarHBondContact O-OG 3.36Å; A329-S335 VanDerWaalsContact O-OG 3.06Å; A329-I337 HydrophobicContact CB-CD1 3.67Å; A329-I337 HydrophobicContact CB-CG1 3.87Å; A329-V386 HydrophobicContact CB-CG1 3.94Å; A329-V386 HydrophobicContact CB-CG2 4.28Å; A329-V386 WeakPolarHBondContact O-CG2 3.35Å
330R88Confident89.8Confident84 Ų8426.8 Ų26.832%0.31712%0.124SC..Hα-helixtrans-67.5-39.9173.1-71.3168.3-171.8131.85.7111.7F326 D327 M328 A333 Q368 V386F326-R330 VanDerWaalsContact O-CG 3.24Å; F326-R330 WeakPolarHBondContact O-CG 3.05Å; F326-R330 PolarHBondContact O-N 3.4Å; D327-R330 PolarHBondContact O-N 3.2Å; D327-R330 IonicContact OD1-NH1 3.39Å; D327-R330 PolarHBondContact OD1-NH1 3.37Å; M328-R330 VanDerWaalsContact C-N 3.31Å; M328-R330 PolarHBondContact O-N 3Å; R330-A333 VanDerWaalsContact O-CB 3.3Å; R330-A333 WeakPolarHBondContact O-CB 3.45Å; R330-A333 PolarHBondContact O-N 3.43Å; R330-Q368 VanDerWaalsContact NH1-OE1 3.15Å; R330-V386 HydrophobicContact CG-CG2 4.03Å
331F87.6Confident90Very high80 Ų8025.8 Ų25.835%0.35112%0.121SC..Hα-helixtrans-64.7-44.9177.6-179.4-93.6000111.9E212 K213 F214 D327 M328 A333E212-F331 HydrophobicContact CB-CE1 4.27Å; E212-F331 HydrophobicContact CB-CZ 4.03Å; K213-F331 VanDerWaalsContact O-CZ 3.23Å; K213-F331 WeakPolarHBondContact O-CZ 3.43Å; F214-F331 HydrophobicContact CB-CD1 4.11Å; F214-F331 HydrophobicContact CB-CE1 4.26Å; F214-F331 HydrophobicContact CD2-CB 3.58Å; F214-F331 AromaticContact CD2-CD1 3.93Å; F214-F331 HydrophobicContact CD2-CD1 3.93Å; F214-F331 HydrophobicContact CD2-CD2 4.14Å; F214-F331 AromaticContact CD2-CG 3.62Å; F214-F331 HydrophobicContact CD2-CG 3.62Å; F214-F331 HydrophobicContact CE2-CB 3.93Å; F214-F331 HydrophobicContact CE2-CG 4.34Å; D327-F331 WeakPolarHBondContact O-CB 3.25Å; D327-F331 PolarHBondContact O-N 3.4Å; M328-F331 WeakPolarHBondContact O-CB 3.48Å; M328-F331 PolarHBondContact O-N 3.04Å; F331-A333 VanDerWaalsContact C-N 3.26Å; F331-A333 PolarHBondContact O-N 2.89Å
332Y88.2Confident90.2Very high37 Ų3725.1 Ų25.115%0.14512%0.118CC..THydrogen-bonded Turntrans-86.716.7178.7-68.6-61.2000114E212 F214 E228 T301 F303 M328 S335E212-Y332 WeakPolarHBondContact O-CE1 3.44Å; F214-Y332 HydrophobicContact CB-CE2 4.12Å; F214-Y332 PolarHBondContact N-OH 2.99Å; F214-Y332 VanDerWaalsContact N-OH 3.17Å; E228-Y332 PolarHBondContact OE1-OH 3.22Å; T301-Y332 PolarHBondContact OG1-O 3.04Å; F303-Y332 HydrophobicContact CZ-CD2 4.04Å; M328-Y332 HydrophobicContact CE-CE2 4.41Å; M328-Y332 VanDerWaalsContact O-CD2 3.25Å; M328-Y332 WeakPolarHBondContact O-CD2 3.41Å; M328-Y332 PolarHBondContact O-N 3.47Å; Y332-S335 PolarHBondContact O-OG 3.13Å
333A85.9Confident90.1Very high22 Ų2226.1 Ų26.118%0.18212%0.123CC..  trans-61.9141.5-177.700000111.7A329 R330 F331 K384A329-A333 PolarHBondContact O-N 2.94Å; R330-A333 VanDerWaalsContact O-CB 3.3Å; R330-A333 WeakPolarHBondContact O-CB 3.45Å; R330-A333 PolarHBondContact O-N 3.43Å; F331-A333 VanDerWaalsContact C-N 3.26Å; F331-A333 PolarHBondContact O-N 2.89Å; A333-K384 HydrophobicContact CB-CB 4.11Å
334P86.7Confident89.9Confident41 Ų4124.7 Ų24.727%0.26613%0.126SC..SBendcis-74.3133.96.531.2-35.7000112.8M261 T300 T301 T383 S385M261-P334 HydrophobicContact CE-CB 3.84Å; M261-P334 HydrophobicContact CE-CG 4Å; T300-P334 WeakPolarHBondContact CA-O 3.42Å; T300-P334 WeakPolarHBondContact CB-O 3.27Å; T300-P334 HydrophobicContact CG2-CB 3.94Å; T300-P334 HydrophobicContact CG2-CG 4.34Å; T301-P334 PolarHBondContact N-O 3.31Å; T301-P334 VanDerWaalsContact N-O 3.1Å; P334-T383 WeakPolarHBondContact CB-O 3.26Å; P334-T383 WeakPolarHBondContact CD-O 3.41Å; P334-S385 WeakPolarHBondContact CA-O 3.36Å
335S89.3Confident89.5Confident2 Ų225.1 Ų25.11%0.01413%0.129CC..EExtended strand (participates in β ladder)trans-135.7142.4-172-770000112.4T301 F303 A329 Y332 S385 V386 M387T301-S335 CarbonylContact O-C 3.58Å; T301-S335 WeakPolarHBondContact O-CA 3.46Å; F303-S335 WeakPolarHBondContact CE2-OG 3.42Å; A329-S335 VanDerWaalsContact O-CB 3.25Å; A329-S335 WeakPolarHBondContact O-CB 3.37Å; A329-S335 PolarHBondContact O-OG 3.36Å; A329-S335 VanDerWaalsContact O-OG 3.06Å; Y332-S335 PolarHBondContact O-OG 3.13Å; S335-S385 PolarHBondContact N-O 3.34Å; S335-V386 WeakPolarHBondContact O-CA 3.33Å; S335-M387 PolarHBondContact O-N 3.49Å
336T91.3Very high88.9Confident2 Ų225 Ų251%0.01213%0.128CC..EExtended strand (participates in β ladder)trans-113.9115.2174.5-61.70000109.1T300 T301 F302 F303 L389T300-T336 PolarHBondContact OG1-OG1 3.22Å; T301-T336 PolarHBondContact O-N 2.71Å; F302-T336 WeakPolarHBondContact CA-O 3.45Å; F302-T336 HydrophobicContact CD2-CG2 4.11Å; F302-T336 HydrophobicContact CE2-CG2 4.29Å; F303-T336 PolarHBondContact N-O 3.25Å; T336-L389 HydrophobicContact CG2-CD1 3.6Å; T336-L389 HydrophobicContact CG2-CG 3.89Å
337I93.7Very high88.1Confident0 Ų026.9 Ų26.90%014%0.141CC..EExtended strand (participates in β ladder)trans-91.3115.6171.3-56.3175.2000108.1F303 V305 L325 F326 A329 M339 V386 M387 V388 L389F303-I337 HydrophobicContact CB-CB 4.48Å; F303-I337 HydrophobicContact CB-CG1 4.24Å; F303-I337 HydrophobicContact CB-CG2 4.47Å; F303-I337 HydrophobicContact CD2-CG1 4.43Å; F303-I337 HydrophobicContact CG-CG1 4.46Å; V305-I337 HydrophobicContact CG2-CG2 3.99Å; L325-I337 HydrophobicContact CD2-CG2 4.35Å; F326-I337 HydrophobicContact CD1-CD1 3.93Å; F326-I337 HydrophobicContact CD2-CD1 4.33Å; F326-I337 HydrophobicContact CE1-CD1 3.85Å; F326-I337 HydrophobicContact CE2-CD1 4.26Å; F326-I337 HydrophobicContact CG-CD1 4.19Å; F326-I337 HydrophobicContact CZ-CD1 4.03Å; A329-I337 HydrophobicContact CB-CD1 3.67Å; A329-I337 HydrophobicContact CB-CG1 3.87Å; I337-M339 HydrophobicContact CG2-CG 4.12Å; I337-V386 HydrophobicContact CD1-CG1 3.77Å; I337-V386 HydrophobicContact CG1-CG1 4.06Å; I337-M387 PolarHBondContact N-O 2.87Å; I337-V388 CarbonylContact O-C 3.5Å; I337-V388 WeakPolarHBondContact O-CA 3.27Å; I337-L389 PolarHBondContact O-N 2.75Å
338F95.1Very high86.9Confident0 Ų033.3 Ų33.30%016%0.162CC..EExtended strand (participates in β ladder)trans-101.8117.3173.1177.9-114.9000110.6M279 T288 A291 F302 F303 N304 V305 D340 L389 A391M279-F338 HydrophobicContact CE-CD2 4.17Å; M279-F338 HydrophobicContact CE-CE2 3.57Å; T288-F338 HydrophobicContact CG2-CE1 3.71Å; T288-F338 HydrophobicContact CG2-CZ 4.32Å; A291-F338 HydrophobicContact CB-CB 4.4Å; A291-F338 HydrophobicContact CB-CD1 4.31Å; A291-F338 HydrophobicContact CB-CD2 3.39Å; A291-F338 HydrophobicContact CB-CE2 3.63Å; A291-F338 HydrophobicContact CB-CG 3.76Å; A291-F338 HydrophobicContact CB-CZ 4.19Å; F302-F338 HydrophobicContact CD2-CB 4.38Å; F302-F338 HydrophobicContact CE1-CB 4.28Å; F302-F338 HydrophobicContact CE2-CB 3.4Å; F302-F338 HydrophobicContact CE2-CG 4.13Å; F302-F338 HydrophobicContact CZ-CB 3.33Å; F302-F338 AromaticContact CZ-CD1 3.81Å; F302-F338 HydrophobicContact CZ-CD1 3.81Å; F302-F338 AromaticContact CZ-CG 3.73Å; F302-F338 HydrophobicContact CZ-CG 3.73Å; F303-F338 PolarHBondContact O-N 3.15Å; N304-F338 WeakPolarHBondContact OD1-CD1 3.38Å; V305-F338 WeakPolarHBondContact CA-O 3.1Å; V305-F338 WeakPolarHBondContact CB-O 3.38Å; V305-F338 PolarHBondContact N-O 3.43Å; F338-D340 HydrophobicContact CD1-CB 4.39Å; F338-D340 HydrophobicContact CE1-CB 3.57Å; F338-D340 WeakPolarHBondContact CE1-OD2 3.35Å; F338-D340 HydrophobicContact CZ-CB 3.89Å; F338-L389 CarbonylContact C-O 3.33Å; F338-L389 VanDerWaalsContact CA-O 3.27Å; F338-L389 WeakPolarHBondContact CA-O 3.43Å; F338-L389 HydrophobicContact CB-CB 4.49Å; F338-L389 HydrophobicContact CD2-CB 3.83Å; F338-A391 HydrophobicContact CE2-CB 3.62Å; F338-A391 HydrophobicContact CZ-CB 3.66Å
339M93.7Very high85.5Confident1 Ų140 Ų401%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-104.3102.3175.3-57.3-168.474.500109.2V305 L310 I337 I342 I345 L365 V388 L389 A390 A391V305-M339 HydrophobicContact CB-CG 4.42Å; V305-M339 HydrophobicContact CG1-CE 4.48Å; V305-M339 WeakPolarHBondContact O-CA 3.11Å; L310-M339 HydrophobicContact CD1-CE 3.89Å; I337-M339 HydrophobicContact CG2-CG 4.12Å; M339-I342 HydrophobicContact CB-CD1 4.1Å; M339-I342 HydrophobicContact CB-CG1 4.42Å; M339-I342 HydrophobicContact SD-CD1 4.04Å; M339-I345 HydrophobicContact CE-CD1 3.98Å; M339-L365 HydrophobicContact CE-CD1 3.83Å; M339-L365 HydrophobicContact CE-CD2 3.58Å; M339-L365 HydrophobicContact CE-CG 4.36Å; M339-L365 HydrophobicContact SD-CD1 3.67Å; M339-L365 HydrophobicContact SD-CD2 3.94Å; M339-L365 HydrophobicContact SD-CG 4.41Å; M339-V388 HydrophobicContact CG-CG1 4.49Å; M339-V388 HydrophobicContact SD-CG1 4.36Å; M339-L389 PolarHBondContact N-O 2.73Å; M339-A390 CarbonylContact O-C 3.52Å; M339-A390 WeakPolarHBondContact O-CA 3.33Å; M339-A391 PolarHBondContact O-N 3.02Å
340D92.7Very high83.8Confident32 Ų3243.1 Ų43.117%0.17122%0.22CC..THydrogen-bonded Turntrans-80.8148.5175.5-144.7-16.1000110.7T288 V305 F338 I342T288-D340 PolarHBondContact OG1-OD2 3.25Å; V305-D340 PolarHBondContact O-N 3.02Å; F338-D340 HydrophobicContact CD1-CB 4.39Å; F338-D340 HydrophobicContact CE1-CB 3.57Å; F338-D340 WeakPolarHBondContact CE1-OD2 3.35Å; F338-D340 HydrophobicContact CZ-CB 3.89Å; D340-I342 VanDerWaalsContact C-N 3.28Å; D340-I342 PolarHBondContact O-N 3.33Å
341E91Very high82.3Confident91 Ų9141.6 Ų41.643%0.42522%0.222SC..THydrogen-bonded Turntrans49.345.8-179.8-57.3-177.2162.300113.4D343 S344 A391E341-D343 PolarHBondContact O-N 3.35Å; E341-S344 WeakPolarHBondContact O-CB 3.5Å; E341-S344 PolarHBondContact O-N 2.66Å; E341-S344 PolarHBondContact O-OG 3.46Å; E341-A391 PolarHBondContact N-O 3.46Å; E341-A391 VanDerWaalsContact N-O 3.1Å
342I91.4Very high80.8Confident0 Ų047.6 Ų47.60%025%0.251CS..G310 helixtrans-59.8-22.7-172.2-161.5165.3000113.7L278 M339 D340 S344 I345 C346 A390 A391 I398 L402 L406L278-I342 HydrophobicContact CD1-CG2 4.26Å; M339-I342 HydrophobicContact CB-CD1 4.1Å; M339-I342 HydrophobicContact CB-CG1 4.42Å; M339-I342 HydrophobicContact SD-CD1 4.04Å; D340-I342 VanDerWaalsContact C-N 3.28Å; D340-I342 PolarHBondContact O-N 3.33Å; I342-S344 PolarHBondContact O-N 2.8Å; I342-I345 PolarHBondContact O-N 3.22Å; I342-C346 PolarHBondContact O-N 3.02Å; I342-A390 HydrophobicContact CB-CB 4.33Å; I342-A390 HydrophobicContact CD1-CB 3.63Å; I342-A390 HydrophobicContact CG2-CB 4.14Å; I342-A391 PolarHBondContact N-O 3.09Å; I342-I398 HydrophobicContact CG2-CD1 3.91Å; I342-I398 HydrophobicContact CG2-CG1 4.48Å; I342-L402 HydrophobicContact CD1-CD1 4.2Å; I342-L402 HydrophobicContact CD1-CD2 3.55Å; I342-L402 HydrophobicContact CD1-CG 4.38Å; I342-L402 HydrophobicContact CG1-CD2 3.68Å; I342-L402 HydrophobicContact CG2-CD2 4.43Å; I342-L406 HydrophobicContact CD1-CD1 4.31Å
343D88.8Confident79.7Confident21 Ų2150.1 Ų50.111%0.11227%0.274CS..G310 helixtrans-60.5-2817451-80.3000113.1E341 I345 S347 T392 F394 D397 I398E341-D343 PolarHBondContact O-N 3.35Å; D343-I345 PolarHBondContact O-N 3.39Å; D343-S347 WeakPolarHBondContact O-CA 3.33Å; D343-S347 WeakPolarHBondContact O-CB 3.37Å; D343-S347 PolarHBondContact O-N 3.28Å; D343-S347 VanDerWaalsContact O-N 3.07Å; D343-T392 VanDerWaalsContact CG-OG1 3.28Å; D343-T392 WeakPolarHBondContact OD1-CB 3.32Å; D343-T392 PolarHBondContact OD1-OG1 3.15Å; D343-F394 HydrophobicContact CB-CB 4.37Å; D343-F394 WeakPolarHBondContact OD2-CD2 3.34Å; D343-D397 HydrophobicContact CB-CB 4.43Å; D343-I398 HydrophobicContact CB-CG1 4.41Å
344S84.6Confident79Confident56 Ų5650.2 Ų50.239%0.39227%0.271SS..G310 helixtrans-69.9-30.2176.665.40000113.6S307 E341 I342S307-S344 WeakPolarHBondContact CB-OG 3.3Å; E341-S344 WeakPolarHBondContact O-CB 3.5Å; E341-S344 PolarHBondContact O-N 2.66Å; E341-S344 PolarHBondContact O-OG 3.46Å; I342-S344 PolarHBondContact O-N 2.8Å
345I81Confident78.5Confident11 Ų1155 Ų556%0.05629%0.289CS..THydrogen-bonded Turntrans-91.7-35.7178.7-58.7156.6000110.5L310 M339 I342 D343 V361L310-I345 HydrophobicContact CD1-CD1 3.82Å; M339-I345 HydrophobicContact CE-CD1 3.98Å; I342-I345 PolarHBondContact O-N 3.22Å; D343-I345 PolarHBondContact O-N 3.39Å; I345-V361 HydrophobicContact CG2-CG1 3.87Å
346C78.6Confident78.1Confident0 Ų059.6 Ų59.60%031%0.31CS..SBendtrans-119.739.7-169.4-67.50000113I342 K362 D399 L402I342-C346 PolarHBondContact O-N 3.02Å; C346-K362 HydrophobicContact CB-CD 4.48Å; C346-D399 PolarHBondContact O-N 3.41Å; C346-L402 HydrophobicContact CB-CB 4.47Å; C346-L402 HydrophobicContact CB-CD2 3.29Å; C346-L402 HydrophobicContact CB-CG 4.43Å
347S73.2Confident77.5Confident38 Ų3862.6 Ų62.627%0.26633%0.332SS..BIsolated β-bridgetrans-59.9160175.864.40000111.9D343 R349 K362 D397D343-S347 WeakPolarHBondContact O-CA 3.33Å; D343-S347 WeakPolarHBondContact O-CB 3.37Å; D343-S347 PolarHBondContact O-N 3.28Å; D343-S347 VanDerWaalsContact O-N 3.07Å; S347-R349 PolarHBondContact O-N 3.24Å; S347-K362 PolarHBondContact O-NZ 2.84Å; S347-D397 CarbonylContact C-O 3.59Å; S347-D397 VanDerWaalsContact CA-O 3.28Å; S347-D397 WeakPolarHBondContact CA-O 3.22Å
348R65Low76.9Confident181 Ų18164.1 Ų64.168%0.68334%0.342SS*.PPolyproline II helixtrans-60128-177.3-167.5171.9177.6163.9-0.7110.1G350 D397R348-G350 PolarHBondContact O-N 3.49Å; R348-D397 PolarHBondContact N-O 2.84Å
349R59.6Low76.4Confident141 Ų14169 Ų6953%0.53236%0.36SS..THydrogen-bonded Turntrans-57.4136.8177.3-65.7176.1-179.4-122.2-3.9109.7S347 D399S347-R349 PolarHBondContact O-N 3.24Å; R349-D399 WeakPolarHBondContact CD-OD2 3.41Å; R349-D399 WeakPolarHBondContact CG-OD2 3.44Å; R349-D399 IonicContact NE-OD2 3.03Å; R349-D399 PolarHBondContact NE-OD2 3.19Å
350G55.4Low76Confident66 Ų6674.4 Ų74.468%0.6838%0.381SS*.THydrogen-bonded Turntrans119.38.716300000117.2R348R348-G350 PolarHBondContact O-N 3.49Å
351S55.3Low75.8Confident52 Ų5273.5 Ų73.536%0.36438%0.377SS..  trans-77.3133.915865.20000109S353 E354S351-S353 VanDerWaalsContact CB-OG 3.3Å; S351-S353 WeakPolarHBondContact CB-OG 3.45Å; S351-S353 PolarHBondContact O-N 2.96Å; S351-S353 PolarHBondContact OG-OG 3.29Å; S351-E354 PolarHBondContact O-N 3.01Å
352E56.5Low75.6Confident205 Ų20569.2 Ų69.296%0.95836%0.357SS*.THydrogen-bonded Turntrans-58.2-12.6172.5-78.2-176.7146.200112.7
353S65.4Low75.5Confident91 Ų9171.9 Ų71.964%0.63638%0.375SS*.THydrogen-bonded Turntrans-83.5-6.9176.159.60000115.2S351 H355S351-S353 VanDerWaalsContact CB-OG 3.3Å; S351-S353 WeakPolarHBondContact CB-OG 3.45Å; S351-S353 PolarHBondContact O-N 2.96Å; S351-S353 PolarHBondContact OG-OG 3.29Å; S353-H355 PolarHBondContact O-N 3.32Å; S353-H355 VanDerWaalsContact O-N 3.13Å
354E70.2Confident75.6Confident23 Ų2371.6 Ų71.611%0.10737%0.373CS..  trans-70.2113.1-178.4-167-173.4-169.500110.7S351 E356 R359S351-E354 PolarHBondContact O-N 3.01Å; E354-E356 PolarHBondContact O-N 3.25Å; E354-R359 HydrophobicContact CG-CG 3.95Å; E354-R359 WeakPolarHBondContact OE1-CG 3.37Å; E354-R359 IonicContact OE2-CZ 3.37Å; E354-R359 IonicContact OE2-NE 3.26Å; E354-R359 PolarHBondContact OE2-NE 2.89Å; E354-R359 IonicContact OE2-NH2 3.33Å; E354-R359 PolarHBondContact OE2-NH2 3.39Å
355H77.3Confident75.9Confident142 Ų14269 Ų6966%0.65736%0.355SS*.  trans-64.7135176.6-68.1-64.3000111.2S353 S357 S358 R359S353-H355 PolarHBondContact O-N 3.32Å; S353-H355 VanDerWaalsContact O-N 3.13Å; H355-S357 PolarHBondContact O-N 2.94Å; H355-S358 WeakPolarHBondContact O-CB 3.29Å; H355-S358 PolarHBondContact O-N 3.25Å; H355-R359 PolarHBondContact O-N 2.88Å
356E81.2Confident76.3Confident98 Ų9869 Ų6946%0.45836%0.355SS..Hα-helixtrans-52.7-29.9177179.164-171.900113.5E354 R359 R360E354-E356 PolarHBondContact O-N 3.25Å; E356-R359 PolarHBondContact O-N 2.72Å; E356-R360 WeakPolarHBondContact O-CG 3.24Å; E356-R360 PolarHBondContact O-N 2.83Å; E356-R360 IonicContact OE1-CZ 3.97Å; E356-R360 IonicContact OE1-NE 2.72Å; E356-R360 PolarHBondContact OE1-NE 2.94Å; E356-R360 IonicContact OE1-NH2 2.88Å; E356-R360 PolarHBondContact OE1-NH2 2.88Å
357S78.4Confident76.8Confident66 Ų6674.7 Ų74.746%0.46238%0.383SS..Hα-helixtrans-63.2-45.3173.247.60000112.7H355 R359 R360 V361H355-S357 PolarHBondContact O-N 2.94Å; S357-R359 VanDerWaalsContact C-N 3.32Å; S357-R359 PolarHBondContact O-N 3.06Å; S357-R360 PolarHBondContact O-N 3.48Å; S357-V361 WeakPolarHBondContact O-CG2 3.44Å; S357-V361 PolarHBondContact O-N 2.83Å; S357-V361 VanDerWaalsContact O-N 3.1Å
358S81.1Confident77.6Confident32 Ų3273.8 Ų73.822%0.22437%0.374CS..Hα-helixtrans-61.9-41.1178.1174.10000111H355 R360 V361 K362H355-S358 WeakPolarHBondContact O-CB 3.29Å; H355-S358 PolarHBondContact O-N 3.25Å; S358-R360 VanDerWaalsContact C-N 3.34Å; S358-R360 PolarHBondContact O-N 3.39Å; S358-V361 PolarHBondContact O-N 3.43Å; S358-K362 WeakPolarHBondContact O-CB 3.44Å; S358-K362 PolarHBondContact O-N 2.87Å
359R83.1Confident78.6Confident101 Ų10165.7 Ų65.738%0.38134%0.344SS..Hα-helixtrans-58.6-41.7176-70.3-178.1174.7169.85.7113.3E354 H355 E356 S357 S363E354-R359 HydrophobicContact CG-CG 3.95Å; E354-R359 WeakPolarHBondContact OE1-CG 3.37Å; E354-R359 IonicContact OE2-CZ 3.37Å; E354-R359 IonicContact OE2-NE 3.26Å; E354-R359 PolarHBondContact OE2-NE 2.89Å; E354-R359 IonicContact OE2-NH2 3.33Å; E354-R359 PolarHBondContact OE2-NH2 3.39Å; H355-R359 PolarHBondContact O-N 2.88Å; E356-R359 PolarHBondContact O-N 2.72Å; S357-R359 VanDerWaalsContact C-N 3.32Å; S357-R359 PolarHBondContact O-N 3.06Å; R359-S363 WeakPolarHBondContact O-CB 3.49Å; R359-S363 PolarHBondContact O-N 2.93Å; R359-S363 PolarHBondContact O-OG 3.42Å
360R86.7Confident79.5Confident116 Ų11662.1 Ų62.144%0.43834%0.336SS..Hα-helixtrans-69.7-44.5178.8-68.2177.4-164159.62111.9E356 S357 S358 K362 S363 E364E356-R360 WeakPolarHBondContact O-CG 3.24Å; E356-R360 PolarHBondContact O-N 2.83Å; E356-R360 IonicContact OE1-CZ 3.97Å; E356-R360 IonicContact OE1-NE 2.72Å; E356-R360 PolarHBondContact OE1-NE 2.94Å; E356-R360 IonicContact OE1-NH2 2.88Å; E356-R360 PolarHBondContact OE1-NH2 2.88Å; S357-R360 PolarHBondContact O-N 3.48Å; S358-R360 VanDerWaalsContact C-N 3.34Å; S358-R360 PolarHBondContact O-N 3.39Å; R360-K362 VanDerWaalsContact C-N 3.33Å; R360-K362 PolarHBondContact O-N 3.48Å; R360-S363 PolarHBondContact O-N 3.47Å; R360-E364 PolarHBondContact O-N 3.41Å
361V87.7Confident80.1Confident13 Ų1360.1 Ų60.18%0.07932%0.315CS..Hα-helixtrans-57-48174.2172.80000110.8V322 I345 S357 S358 S363 E364 L365V322-V361 HydrophobicContact CG2-CG1 3.91Å; I345-V361 HydrophobicContact CG2-CG1 3.87Å; S357-V361 WeakPolarHBondContact O-CG2 3.44Å; S357-V361 PolarHBondContact O-N 2.83Å; S357-V361 VanDerWaalsContact O-N 3.1Å; S358-V361 PolarHBondContact O-N 3.43Å; V361-S363 PolarHBondContact O-N 2.68Å; V361-E364 PolarHBondContact O-N 3.5Å; V361-L365 WeakPolarHBondContact O-CB 3.34Å; V361-L365 PolarHBondContact O-N 3.35Å
362K87.7Confident80.3Confident1 Ų159.2 Ų59.20%0.00431%0.307CS..Hα-helixtrans-59.8-43.9176.2179.5176.6-177.3-1780112.4C346 S347 S358 R360 L365 L366 D399C346-K362 HydrophobicContact CB-CD 4.48Å; S347-K362 PolarHBondContact O-NZ 2.84Å; S358-K362 WeakPolarHBondContact O-CB 3.44Å; S358-K362 PolarHBondContact O-N 2.87Å; R360-K362 VanDerWaalsContact C-N 3.33Å; R360-K362 PolarHBondContact O-N 3.48Å; K362-L365 PolarHBondContact O-N 2.96Å; K362-L366 HydrophobicContact CG-CD1 4.23Å; K362-L366 WeakPolarHBondContact O-CG 3.46Å; K362-L366 PolarHBondContact O-N 3.38Å; K362-D399 WeakPolarHBondContact CE-OD2 3.46Å; K362-D399 IonicContact NZ-OD2 2.66Å; K362-D399 PolarHBondContact NZ-OD2 3.35Å
363S88.9Confident80Confident55 Ų5552 Ų5239%0.38528%0.278SS..Hα-helixtrans-65.9-43179.8-58.60000111.9R359 R360 V361 L366 M367R359-S363 WeakPolarHBondContact O-CB 3.49Å; R359-S363 PolarHBondContact O-N 2.93Å; R359-S363 PolarHBondContact O-OG 3.42Å; R360-S363 PolarHBondContact O-N 3.47Å; V361-S363 PolarHBondContact O-N 2.68Å; S363-L366 PolarHBondContact O-N 3.36Å; S363-M367 PolarHBondContact O-N 3.4Å; S363-M367 VanDerWaalsContact O-N 3.09Å
364E90.2Very high78.9Confident15 Ų1551 Ų517%0.0728%0.281CS..Hα-helixtrans-64.5-43.5174.8-17667.2-161.700111.2E319 V322 R323 R360 V361 L366 M367 Q368E319-E364 HydrophobicContact CB-CB 4.31Å; E319-E364 HydrophobicContact CB-CG 4.46Å; V322-E364 HydrophobicContact CB-CG 3.99Å; V322-E364 HydrophobicContact CG1-CB 4.39Å; V322-E364 HydrophobicContact CG1-CG 3.88Å; R323-E364 IonicContact CZ-OE1 3.55Å; R323-E364 IonicContact CZ-OE2 2.83Å; R323-E364 IonicContact NE-OE1 2.82Å; R323-E364 PolarHBondContact NE-OE1 2.91Å; R323-E364 IonicContact NH2-OE1 2.78Å; R323-E364 PolarHBondContact NH2-OE1 3.42Å; R323-E364 VanDerWaalsContact NH2-OE1 3.07Å; R323-E364 IonicContact NH2-OE2 2.65Å; R323-E364 PolarHBondContact NH2-OE2 3.17Å; R360-E364 PolarHBondContact O-N 3.41Å; V361-E364 PolarHBondContact O-N 3.5Å; E364-L366 PolarHBondContact O-N 3.16Å; E364-M367 WeakPolarHBondContact O-CB 3.39Å; E364-M367 PolarHBondContact O-N 3.37Å; E364-M367 VanDerWaalsContact O-N 3.16Å; E364-Q368 HydrophobicContact CG-CG 4.36Å; E364-Q368 WeakPolarHBondContact O-CG 3.33Å; E364-Q368 PolarHBondContact O-N 3.42Å; E364-Q368 PolarHBondContact OE1-NE2 2.71Å
365L90.5Very high77.3Confident1 Ų154 Ų541%0.00531%0.31CS..Hα-helixtrans-57.9-47.9177.5177.564.3000111.6V322 F326 M339 V361 K362 M367 Q368 M369V322-L365 HydrophobicContact CG1-CB 4.2Å; V322-L365 HydrophobicContact CG1-CD1 4.33Å; F326-L365 HydrophobicContact CE2-CD1 3.71Å; F326-L365 HydrophobicContact CZ-CD1 4Å; M339-L365 HydrophobicContact CE-CD1 3.83Å; M339-L365 HydrophobicContact CE-CD2 3.58Å; M339-L365 HydrophobicContact CE-CG 4.36Å; M339-L365 HydrophobicContact SD-CD1 3.67Å; M339-L365 HydrophobicContact SD-CD2 3.94Å; M339-L365 HydrophobicContact SD-CG 4.41Å; V361-L365 WeakPolarHBondContact O-CB 3.34Å; V361-L365 PolarHBondContact O-N 3.35Å; K362-L365 PolarHBondContact O-N 2.96Å; L365-M367 VanDerWaalsContact C-N 3.29Å; L365-M367 PolarHBondContact O-N 3.02Å; L365-Q368 PolarHBondContact O-N 2.97Å; L365-M369 HydrophobicContact CD1-CG 4.35Å; L365-M369 HydrophobicContact CD1-SD 4.5Å; L365-M369 HydrophobicContact CG-SD 4.27Å; L365-M369 WeakPolarHBondContact O-CB 3.34Å; L365-M369 VanDerWaalsContact O-CG 3.31Å; L365-M369 WeakPolarHBondContact O-CG 3.29Å; L365-M369 PolarHBondContact O-N 3.37Å
366L89.6Confident75.1Confident13 Ų1352.3 Ų52.37%0.06831%0.31CS..Hα-helixtrans-60.3-40.9177.4-67.7170.1000111.5K362 S363 E364 M369 D370 A401 L402 R405K362-L366 HydrophobicContact CG-CD1 4.23Å; K362-L366 WeakPolarHBondContact O-CG 3.46Å; K362-L366 PolarHBondContact O-N 3.38Å; S363-L366 PolarHBondContact O-N 3.36Å; E364-L366 PolarHBondContact O-N 3.16Å; L366-M369 PolarHBondContact O-N 2.65Å; L366-D370 VanDerWaalsContact O-CG 3.3Å; L366-D370 PolarHBondContact O-N 3.41Å; L366-D370 VanDerWaalsContact O-N 3.08Å; L366-A401 HydrophobicContact CD1-CB 3.86Å; L366-A401 HydrophobicContact CD2-CB 4.33Å; L366-L402 HydrophobicContact CD2-CB 3.97Å; L366-L402 HydrophobicContact CD2-CD1 3.94Å; L366-R405 VanDerWaalsContact CD2-CD 3.5Å; L366-R405 PolarHBondContact O-NE 3.32Å
367M89.4Confident73Confident119 Ų11952 Ų5259%0.58633%0.333SS*.Hα-helixtrans-64.5-41.8176.3-169.1-175.3-56.400112S363 E364 L365 D370 G371S363-M367 PolarHBondContact O-N 3.4Å; S363-M367 VanDerWaalsContact O-N 3.09Å; E364-M367 WeakPolarHBondContact O-CB 3.39Å; E364-M367 PolarHBondContact O-N 3.37Å; E364-M367 VanDerWaalsContact O-N 3.16Å; L365-M367 VanDerWaalsContact C-N 3.29Å; L365-M367 PolarHBondContact O-N 3.02Å; M367-D370 PolarHBondContact O-N 3.37Å; M367-G371 PolarHBondContact O-N 3.1Å
368Q89.7Confident71Confident18 Ų1856.1 Ų56.18%0.08435%0.345CS..Hα-helixtrans-68.9-35.6177-67.2-59.2-2500112.7V322 F326 R330 E364 L365 D370 G371 V372V322-Q368 HydrophobicContact CG1-CG 4.17Å; F326-Q368 HydrophobicContact CB-CB 4.22Å; F326-Q368 HydrophobicContact CB-CG 4.22Å; F326-Q368 HydrophobicContact CD1-CB 3.77Å; F326-Q368 HydrophobicContact CD2-CB 3.54Å; F326-Q368 HydrophobicContact CD2-CG 3.92Å; F326-Q368 HydrophobicContact CE1-CB 3.91Å; F326-Q368 HydrophobicContact CE2-CB 3.7Å; F326-Q368 HydrophobicContact CE2-CG 4.43Å; F326-Q368 HydrophobicContact CG-CB 3.57Å; F326-Q368 HydrophobicContact CG-CG 4.03Å; F326-Q368 HydrophobicContact CZ-CB 3.87Å; R330-Q368 VanDerWaalsContact NH1-OE1 3.15Å; E364-Q368 HydrophobicContact CG-CG 4.36Å; E364-Q368 WeakPolarHBondContact O-CG 3.33Å; E364-Q368 PolarHBondContact O-N 3.42Å; E364-Q368 PolarHBondContact OE1-NE2 2.71Å; L365-Q368 PolarHBondContact O-N 2.97Å; Q368-D370 VanDerWaalsContact C-N 3.27Å; Q368-D370 PolarHBondContact O-N 2.94Å; Q368-G371 CarbonylContact O-C 3.53Å; Q368-G371 PolarHBondContact O-N 3.33Å; Q368-G371 VanDerWaalsContact O-N 3.11Å; Q368-V372 PolarHBondContact O-N 2.77Å
369M86.8Confident69.3Low11 Ų1163.5 Ų63.55%0.05438%0.376CS..Hα-helixtrans-66.5-27.1172.7-73.2-176.578.300113F326 L365 L366 V372 V388 L402 R405 L406F326-M369 HydrophobicContact CZ-CG 4.16Å; L365-M369 HydrophobicContact CD1-CG 4.35Å; L365-M369 HydrophobicContact CD1-SD 4.5Å; L365-M369 HydrophobicContact CG-SD 4.27Å; L365-M369 WeakPolarHBondContact O-CB 3.34Å; L365-M369 VanDerWaalsContact O-CG 3.31Å; L365-M369 WeakPolarHBondContact O-CG 3.29Å; L365-M369 PolarHBondContact O-N 3.37Å; L366-M369 PolarHBondContact O-N 2.65Å; M369-V372 WeakPolarHBondContact O-CG2 3.49Å; M369-V388 HydrophobicContact CE-CB 4.37Å; M369-V388 HydrophobicContact CE-CG1 4.15Å; M369-V388 HydrophobicContact CG-CG2 4.47Å; M369-L402 HydrophobicContact CE-CD1 4.12Å; M369-L402 HydrophobicContact SD-CD1 3.52Å; M369-L402 VanDerWaalsContact SD-CD1 3.52Å; M369-R405 HydrophobicContact CE-CB 3.78Å; M369-R405 HydrophobicContact SD-CB 4.45Å; M369-L406 HydrophobicContact CE-CD2 3.76Å; M369-L406 HydrophobicContact CE-CG 4.15Å
370D78.1Confident68Low67 Ų6766.9 Ų66.936%0.35840%0.396SS..Hα-helixtrans-78.9-36.8168.1-61.2-23.2000110.6L366 M367 Q368 V372 T373 R405L366-D370 VanDerWaalsContact O-CG 3.3Å; L366-D370 PolarHBondContact O-N 3.41Å; L366-D370 VanDerWaalsContact O-N 3.08Å; M367-D370 PolarHBondContact O-N 3.37Å; Q368-D370 VanDerWaalsContact C-N 3.27Å; Q368-D370 PolarHBondContact O-N 2.94Å; D370-V372 VanDerWaalsContact C-N 3.35Å; D370-V372 PolarHBondContact O-N 3.35Å; D370-T373 WeakPolarHBondContact O-CB 3Å; D370-T373 PolarHBondContact O-N 3.48Å; D370-T373 PolarHBondContact O-OG1 3.47Å; D370-R405 IonicContact OD1-CZ 2.75Å; D370-R405 IonicContact OD1-NE 3.4Å; D370-R405 PolarHBondContact OD1-NE 2.95Å; D370-R405 IonicContact OD1-NH2 3.29Å; D370-R405 PolarHBondContact OD1-NH2 3.2Å; D370-R405 IonicContact OD2-CZ 3.41Å; D370-R405 IonicContact OD2-NE 2.97Å; D370-R405 PolarHBondContact OD2-NE 3.41Å; D370-R405 IonicContact OD2-NH2 2.67Å; D370-R405 PolarHBondContact OD2-NH2 3.09Å
371G67.5Low66.7Low23 Ų2365 Ų6524%0.23740%0.395CS..Hα-helixtrans-73.3-14.9-177.900000115.6M367 Q368 T373M367-G371 PolarHBondContact O-N 3.1Å; Q368-G371 CarbonylContact O-C 3.53Å; Q368-G371 PolarHBondContact O-N 3.33Å; Q368-G371 VanDerWaalsContact O-N 3.11Å; G371-T373 PolarHBondContact O-N 2.94Å
372V59.6Low65.4Low33 Ų3367.3 Ų67.320%0.241%0.41CS..THydrogen-bonded Turntrans-60.8-9163.7-77.50000112K275 F326 Q368 M369 D370 V386K275-V372 HydrophobicContact CD-CG2 4.49Å; F326-V372 HydrophobicContact CD1-CG1 3.89Å; F326-V372 HydrophobicContact CE1-CG1 3.88Å; Q368-V372 PolarHBondContact O-N 2.77Å; M369-V372 WeakPolarHBondContact O-CG2 3.49Å; D370-V372 VanDerWaalsContact C-N 3.35Å; D370-V372 PolarHBondContact O-N 3.35Å; V372-V386 HydrophobicContact CG1-CB 3.89Å; V372-V386 HydrophobicContact CG1-CG1 4.03Å
373T50.4Low64.2Low55 Ų5571 Ų7134%0.33743%0.433SS..THydrogen-bonded Turntrans-88.596.4165.7-24.70000111.1K275 D370 G371 A375K275-T373 WeakPolarHBondContact CE-OG1 3.3Å; K275-T373 PolarHBondContact NZ-OG1 3.32Å; D370-T373 WeakPolarHBondContact O-CB 3Å; D370-T373 PolarHBondContact O-N 3.48Å; D370-T373 PolarHBondContact O-OG1 3.47Å; G371-T373 PolarHBondContact O-N 2.94Å; T373-A375 VanDerWaalsContact C-N 3.28Å; T373-A375 PolarHBondContact O-N 2.89Å
374G43.2Very low63.3Low68 Ų6874.7 Ų74.770%0.70144%0.442SS*.THydrogen-bonded Turntrans51.323.3145.700000120.2T376G374-T376 VanDerWaalsContact C-N 3.32Å; G374-T376 PolarHBondContact O-N 3.31Å
375A35.2Very low62.8Low88 Ų8876.7 Ų76.773%0.72746%0.458SS*.  trans-80.1-10.9-178.600000114T373T373-A375 VanDerWaalsContact C-N 3.28Å; T373-A375 PolarHBondContact O-N 2.89Å
376T33Very low62.7Low106 Ų10677.5 Ų77.565%0.6546%0.463SS*.SBendtrans-96.3116.216254.30000106.9G374 Q378G374-T376 VanDerWaalsContact C-N 3.32Å; G374-T376 PolarHBondContact O-N 3.31Å; T376-Q378 PolarHBondContact O-N 3.12Å
377G37Very low62.6Low92 Ų9278 Ų7895%0.94847%0.465SS*.  trans-63.452.4179.900000115.1
378Q35.6Very low62.8Low151 Ų15172.3 Ų72.371%0.70644%0.437SS*.  trans-104.7120.8166.1-69.8-178.18.300106.8T376T376-Q378 PolarHBondContact O-N 3.12Å
379E45.6Very low63Low188 Ų18871.5 Ų71.588%0.87943%0.433SS*.  trans-40.6139.8174.8-61.1173.9148.900111.7D381E379-D381 PolarHBondContact O-N 3.03Å
380E55.2Low63.4Low172 Ų17271 Ų7180%0.80443%0.43SS*.  trans-43.886.9-178.5-57.5-176.5164.200113.2P382E380-P382 WeakPolarHBondContact O-CD 3.43Å
381D60.6Low64.3Low77 Ų7767.8 Ų67.841%0.41241%0.413SS..  trans-89.597160.6-166.8-11.9000107.8E379 T383 K384E379-D381 PolarHBondContact O-N 3.03Å; D381-T383 PolarHBondContact O-N 2.9Å; D381-T383 VanDerWaalsContact OD1-CB 3.29Å; D381-T383 WeakPolarHBondContact OD1-CB 3.42Å; D381-T383 VanDerWaalsContact OD1-CG2 3.32Å; D381-T383 WeakPolarHBondContact OD1-CG2 3.44Å; D381-T383 PolarHBondContact OD1-N 3.2Å; D381-T383 VanDerWaalsContact OD1-N 3.09Å; D381-T383 PolarHBondContact OD1-OG1 2.93Å; D381-T383 PolarHBondContact OD2-OG1 3.42Å; D381-T383 VanDerWaalsContact OD2-OG1 3.08Å; D381-K384 HydrophobicContact CB-CG 4.48Å; D381-K384 PolarHBondContact O-N 2.93Å
382P60Low65.6Low61 Ų6166.7 Ų66.740%0.39640%0.402SS..G310 helixtrans-59.5-17.1-179.725.2-34.2000112.3P264 E380 K384 S385P264-P382 HydrophobicContact CB-CB 3.8Å; P264-P382 HydrophobicContact CB-CG 3.52Å; P264-P382 HydrophobicContact CG-CG 4.36Å; E380-P382 WeakPolarHBondContact O-CD 3.43Å; P382-K384 VanDerWaalsContact C-N 3.31Å; P382-S385 PolarHBondContact O-OG 2.91Å
383T62.3Low67.2Low79 Ų7966.2 Ų66.249%0.48540%0.399SS..G310 helixtrans-73.9-19.6177.274.10000113.3P334 D381P334-T383 WeakPolarHBondContact CB-O 3.26Å; P334-T383 WeakPolarHBondContact CD-O 3.41Å; D381-T383 PolarHBondContact O-N 2.9Å; D381-T383 VanDerWaalsContact OD1-CB 3.29Å; D381-T383 WeakPolarHBondContact OD1-CB 3.42Å; D381-T383 VanDerWaalsContact OD1-CG2 3.32Å; D381-T383 WeakPolarHBondContact OD1-CG2 3.44Å; D381-T383 PolarHBondContact OD1-N 3.2Å; D381-T383 VanDerWaalsContact OD1-N 3.09Å; D381-T383 PolarHBondContact OD1-OG1 2.93Å; D381-T383 PolarHBondContact OD2-OG1 3.42Å; D381-T383 VanDerWaalsContact OD2-OG1 3.08Å
384K70.9Confident69.3Low132 Ų13268 Ų6857%0.57440%0.402SS*.G310 helixtrans-102.140.3177.7-62.3-171.2-179-174.70112.4A333 D381 P382A333-K384 HydrophobicContact CB-CB 4.11Å; D381-K384 HydrophobicContact CB-CG 4.48Å; D381-K384 PolarHBondContact O-N 2.93Å; P382-K384 VanDerWaalsContact C-N 3.31Å
385S79.2Confident71.7Confident57 Ų5764.9 Ų64.940%0.39937%0.369SS..  trans-87146179.750.10000112.2P334 S335 P382P334-S385 WeakPolarHBondContact CA-O 3.36Å; S335-S385 PolarHBondContact N-O 3.34Å; P382-S385 PolarHBondContact O-OG 2.91Å
386V87.8Confident74.4Confident18 Ų1862.8 Ų62.811%0.10934%0.342CS..EExtended strand (participates in β ladder)trans-113.5125.3171.2179.10000107.7A329 R330 S335 I337 V372A329-V386 HydrophobicContact CB-CG1 3.94Å; A329-V386 HydrophobicContact CB-CG2 4.28Å; A329-V386 WeakPolarHBondContact O-CG2 3.35Å; R330-V386 HydrophobicContact CG-CG2 4.03Å; S335-V386 WeakPolarHBondContact O-CA 3.33Å; I337-V386 HydrophobicContact CD1-CG1 3.77Å; I337-V386 HydrophobicContact CG1-CG1 4.06Å; V372-V386 HydrophobicContact CG1-CB 3.89Å; V372-V386 HydrophobicContact CG1-CG1 4.03Å
387M88.4Confident77.2Confident22 Ų2260.8 Ų60.811%0.10833%0.328CS..EExtended strand (participates in β ladder)trans-112.2139.2178.7-156.9-173.996.900111.3V257 V277 S335 I337 L389V257-M387 HydrophobicContact CB-CE 4.01Å; V257-M387 HydrophobicContact CB-SD 3.74Å; V257-M387 HydrophobicContact CG1-CE 3.69Å; V257-M387 HydrophobicContact CG1-SD 3.31Å; V257-M387 WeakPolarHBondContact CG1-SD 3.49Å; V257-M387 HydrophobicContact CG2-CE 3.18Å; V257-M387 HydrophobicContact CG2-SD 3.38Å; V257-M387 WeakPolarHBondContact CG2-SD 3.23Å; V277-M387 HydrophobicContact CG2-CE 4.06Å; S335-M387 PolarHBondContact O-N 3.49Å; I337-M387 PolarHBondContact N-O 2.87Å; M387-L389 HydrophobicContact CE-CD1 4.22Å; M387-L389 HydrophobicContact CE-CD2 3.06Å; M387-L389 HydrophobicContact CE-CG 3.42Å; M387-L389 VanDerWaalsContact CE-CG 3.42Å
388V92.9Very high79.7Confident1 Ų156.8 Ų56.81%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-104.4114.3175.6-175.90000109.8K275 G276 V277 F326 I337 M339 M369K275-V388 PolarHBondContact O-N 3.47Å; K275-V388 VanDerWaalsContact O-N 3.09Å; G276-V388 WeakPolarHBondContact CA-O 3.34Å; V277-V388 PolarHBondContact N-O 3.41Å; F326-V388 HydrophobicContact CE1-CG2 4.12Å; F326-V388 HydrophobicContact CZ-CG2 4.18Å; I337-V388 CarbonylContact O-C 3.5Å; I337-V388 WeakPolarHBondContact O-CA 3.27Å; M339-V388 HydrophobicContact CG-CG1 4.49Å; M339-V388 HydrophobicContact SD-CG1 4.36Å; M369-V388 HydrophobicContact CE-CB 4.37Å; M369-V388 HydrophobicContact CE-CG1 4.15Å; M369-V388 HydrophobicContact CG-CG2 4.47Å
389L94.4Very high82.1Confident0 Ų050.6 Ų50.60%026%0.256CS..EExtended strand (participates in β ladder)trans-95.3128.9165-69.8-178.9000108.7L253 V277 A291 V294 T336 I337 F338 M339 M387L253-L389 HydrophobicContact CD2-CD2 4.24Å; V277-L389 HydrophobicContact CB-CD2 3.81Å; V277-L389 HydrophobicContact CG1-CD2 4.45Å; V277-L389 HydrophobicContact CG2-CD2 4.34Å; V277-L389 WeakPolarHBondContact O-CA 3.38Å; A291-L389 HydrophobicContact CB-CD1 3.84Å; V294-L389 HydrophobicContact CB-CD1 4.24Å; V294-L389 HydrophobicContact CG1-CD1 4.16Å; T336-L389 HydrophobicContact CG2-CD1 3.6Å; T336-L389 HydrophobicContact CG2-CG 3.89Å; I337-L389 PolarHBondContact O-N 2.75Å; F338-L389 CarbonylContact C-O 3.33Å; F338-L389 VanDerWaalsContact CA-O 3.27Å; F338-L389 WeakPolarHBondContact CA-O 3.43Å; F338-L389 HydrophobicContact CB-CB 4.49Å; F338-L389 HydrophobicContact CD2-CB 3.83Å; M339-L389 PolarHBondContact N-O 2.73Å; M387-L389 HydrophobicContact CE-CD1 4.22Å; M387-L389 HydrophobicContact CE-CD2 3.06Å; M387-L389 HydrophobicContact CE-CG 3.42Å; M387-L389 VanDerWaalsContact CE-CG 3.42Å
390A95.3Very high84.2Confident0 Ų048 Ų480%024%0.244CC..EExtended strand (participates in β ladder)trans-118.2144172.800000110V277 L278 M279 M339 I342 L406V277-A390 PolarHBondContact O-N 2.98Å; L278-A390 CarbonylContact C-O 3.59Å; L278-A390 WeakPolarHBondContact CA-O 3.36Å; L278-A390 HydrophobicContact CD1-CB 3.79Å; M279-A390 PolarHBondContact N-O 2.87Å; M339-A390 CarbonylContact O-C 3.52Å; M339-A390 WeakPolarHBondContact O-CA 3.33Å; I342-A390 HydrophobicContact CB-CB 4.33Å; I342-A390 HydrophobicContact CD1-CB 3.63Å; I342-A390 HydrophobicContact CG2-CB 4.14Å; A390-L406 HydrophobicContact CB-CD1 3.89Å; A390-L406 HydrophobicContact CB-CD2 3.83Å
391A95.6Very high85.8Confident0 Ų041.2 Ų41.20%022%0.217CC..EExtended strand (participates in β ladder)trans-122.8144.7169.200000110.6M279 K287 F338 M339 E341 I342M279-A391 HydrophobicContact CE-CB 4.37Å; M279-A391 WeakPolarHBondContact O-CA 3.42Å; K287-A391 HydrophobicContact CB-CB 4.01Å; K287-A391 HydrophobicContact CD-CB 4.12Å; F338-A391 HydrophobicContact CE2-CB 3.62Å; F338-A391 HydrophobicContact CZ-CB 3.66Å; M339-A391 PolarHBondContact O-N 3.02Å; E341-A391 PolarHBondContact N-O 3.46Å; E341-A391 VanDerWaalsContact N-O 3.1Å; I342-A391 PolarHBondContact N-O 3.09Å
392T95.1Very high87.2Confident0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-146.5146.7174.6-175.90000111L278 M279 V280 K287 D343 F394 P395 I398L278-T392 HydrophobicContact CD1-CG2 3.83Å; L278-T392 HydrophobicContact CG-CG2 4.47Å; M279-T392 PolarHBondContact O-N 3.42Å; M279-T392 VanDerWaalsContact O-N 3.11Å; V280-T392 HydrophobicContact CB-CG2 4.35Å; V280-T392 HydrophobicContact CG1-CG2 3.86Å; K287-T392 WeakPolarHBondContact CE-O 3.38Å; D343-T392 VanDerWaalsContact CG-OG1 3.28Å; D343-T392 WeakPolarHBondContact OD1-CB 3.32Å; D343-T392 PolarHBondContact OD1-OG1 3.15Å; T392-F394 PolarHBondContact OG1-N 3.23Å; T392-P395 HydrophobicContact CG2-CB 3.82Å; T392-I398 HydrophobicContact CG2-CD1 3.74Å
393N94.6Very high88.6Confident24 Ų2437.1 Ų37.113%0.12819%0.188CC..SBendtrans-92.3-15.4164.8-60.8-42.5000111.4G281 P283 K287 P395 Y514G281-N393 PolarHBondContact O-OD1 2.97Å; P283-N393 WeakPolarHBondContact CA-OD1 3.49Å; K287-N393 WeakPolarHBondContact CE-OD1 3.38Å; K287-N393 PolarHBondContact NZ-OD1 3.09Å; N393-P395 WeakPolarHBondContact O-CD 3.37Å; N393-Y514 VanDerWaalsContact O-CE1 3.22Å; N393-Y514 WeakPolarHBondContact O-CE1 3.34Å; N393-Y514 VanDerWaalsContact O-CZ 3.29Å; N393-Y514 PolarHBondContact O-OH 3.3Å
394F92.8Very high89.9Confident93 Ų9339.1 Ų39.141%0.40819%0.187SC..  trans-129.166.2-170.9-56.9-76.7000111.3D343 T392 W396 D397D343-F394 HydrophobicContact CB-CB 4.37Å; D343-F394 WeakPolarHBondContact OD2-CD2 3.34Å; T392-F394 PolarHBondContact OG1-N 3.23Å; F394-W396 HydrophobicContact CB-CZ2 4.43Å; F394-W396 AromaticContact CD1-CE2 3.97Å; F394-W396 AromaticContact CD1-CZ2 3.61Å; F394-W396 HydrophobicContact CD1-CZ2 3.61Å; F394-W396 AromaticContact CD1-NE1 3.85Å; F394-W396 HydrophobicContact CE1-CZ2 4.39Å; F394-W396 HydrophobicContact CG-CZ2 4.47Å; F394-W396 PolarHBondContact O-N 3.4Å; F394-W396 VanDerWaalsContact O-N 3.11Å; F394-D397 HydrophobicContact CB-CB 4.33Å; F394-D397 WeakPolarHBondContact CB-OD2 3.45Å; F394-D397 PolarHBondContact O-N 3.19Å
395P93.3Very high90.9Very high2 Ų235.3 Ų35.31%0.01317%0.169CC..G310 helixtrans-66.4-19.5-171.930.1-38.5000114V280 T392 N393 D397 I398 Y514 W517V280-P395 HydrophobicContact CB-CB 4.13Å; V280-P395 HydrophobicContact CB-CG 4.24Å; V280-P395 HydrophobicContact CG1-CB 3.76Å; V280-P395 HydrophobicContact CG1-CG 4.4Å; T392-P395 HydrophobicContact CG2-CB 3.82Å; N393-P395 WeakPolarHBondContact O-CD 3.37Å; P395-D397 VanDerWaalsContact C-N 3.27Å; P395-D397 PolarHBondContact O-N 2.87Å; P395-I398 PolarHBondContact O-N 3.23Å; P395-Y514 HydrophobicContact CG-CD1 4.1Å; P395-Y514 HydrophobicContact CG-CE1 4.17Å; P395-W517 HydrophobicContact CB-CD2 3.81Å; P395-W517 HydrophobicContact CB-CE3 4.02Å; P395-W517 HydrophobicContact CB-CG 4.46Å; P395-W517 HydrophobicContact CB-CH2 3.92Å; P395-W517 HydrophobicContact CB-CZ2 3.68Å; P395-W517 HydrophobicContact CB-CZ3 4.08Å; P395-W517 HydrophobicContact CG-CD2 3.94Å; P395-W517 HydrophobicContact CG-CE3 4.19Å; P395-W517 HydrophobicContact CG-CG 4.19Å; P395-W517 PolarHBondContact O-NE1 3.01Å
396W92.8Very high91.4Very high43 Ų4332.6 Ų32.616%0.16315%0.15CC..G310 helixtrans-72.1-17.4173.14674.1000113.8F394 R513 Y514F394-W396 HydrophobicContact CB-CZ2 4.43Å; F394-W396 AromaticContact CD1-CE2 3.97Å; F394-W396 AromaticContact CD1-CZ2 3.61Å; F394-W396 HydrophobicContact CD1-CZ2 3.61Å; F394-W396 AromaticContact CD1-NE1 3.85Å; F394-W396 HydrophobicContact CE1-CZ2 4.39Å; F394-W396 HydrophobicContact CG-CZ2 4.47Å; F394-W396 PolarHBondContact O-N 3.4Å; F394-W396 VanDerWaalsContact O-N 3.11Å; W396-R513 VanDerWaalsContact CD2-NE 3.27Å; W396-R513 VanDerWaalsContact CE2-NH2 3.28Å; W396-R513 HydrophobicContact CE3-CG 3.82Å; W396-R513 VanDerWaalsContact CG-NH2 3.29Å; W396-R513 HydrophobicContact CH2-CG 4.04Å; W396-R513 HydrophobicContact CZ3-CB 4.2Å; W396-R513 HydrophobicContact CZ3-CG 3.55Å; W396-Y514 HydrophobicContact CH2-CD1 4.27Å; W396-Y514 AromaticContact CH2-CE1 3.77Å; W396-Y514 HydrophobicContact CH2-CE1 3.77Å; W396-Y514 HydrophobicContact CH2-CE2 4.44Å; W396-Y514 AromaticContact CH2-CZ 3.86Å; W396-Y514 AromaticContact CZ3-CD1 3.86Å; W396-Y514 HydrophobicContact CZ3-CD1 3.86Å; W396-Y514 AromaticContact CZ3-CE1 3.78Å; W396-Y514 HydrophobicContact CZ3-CE1 3.78Å; W396-Y514 HydrophobicContact CZ3-CG 4.42Å
397D91.1Very high91.5Very high65 Ų6534.3 Ų34.335%0.34816%0.157SC..G310 helixtrans-89.6-6.4177.8-66.2-34000112.4D343 S347 R348 F394 P395D343-D397 HydrophobicContact CB-CB 4.43Å; S347-D397 CarbonylContact C-O 3.59Å; S347-D397 VanDerWaalsContact CA-O 3.28Å; S347-D397 WeakPolarHBondContact CA-O 3.22Å; R348-D397 PolarHBondContact N-O 2.84Å; F394-D397 HydrophobicContact CB-CB 4.33Å; F394-D397 WeakPolarHBondContact CB-OD2 3.45Å; F394-D397 PolarHBondContact O-N 3.19Å; P395-D397 VanDerWaalsContact C-N 3.27Å; P395-D397 PolarHBondContact O-N 2.87Å
398I89.5Confident91.6Very high8 Ų834.3 Ų34.34%0.04116%0.156CC..BIsolated β-bridgetrans-74.3127.9178.6-64.5179.8000111.1L278 I342 D343 T392 P395 L402 R403L278-I398 HydrophobicContact CD1-CD1 3.97Å; L278-I398 HydrophobicContact CD2-CD1 3.72Å; I342-I398 HydrophobicContact CG2-CD1 3.91Å; I342-I398 HydrophobicContact CG2-CG1 4.48Å; D343-I398 HydrophobicContact CB-CG1 4.41Å; T392-I398 HydrophobicContact CG2-CD1 3.74Å; P395-I398 PolarHBondContact O-N 3.23Å; I398-L402 HydrophobicContact CG2-CB 4.08Å; I398-L402 HydrophobicContact CG2-CD2 4Å; I398-L402 HydrophobicContact CG2-CG 4.22Å; I398-R403 HydrophobicContact CG2-CB 4.12Å
399D86.9Confident91.6Very high21 Ų2136.7 Ų36.711%0.11217%0.165CC..  trans-61.6147.1173.6-17111.5000112.8C346 R349 K362 A401 L402 R403C346-D399 PolarHBondContact O-N 3.41Å; R349-D399 WeakPolarHBondContact CD-OD2 3.41Å; R349-D399 WeakPolarHBondContact CG-OD2 3.44Å; R349-D399 IonicContact NE-OD2 3.03Å; R349-D399 PolarHBondContact NE-OD2 3.19Å; K362-D399 WeakPolarHBondContact CE-OD2 3.46Å; K362-D399 IonicContact NZ-OD2 2.66Å; K362-D399 PolarHBondContact NZ-OD2 3.35Å; D399-A401 VanDerWaalsContact C-N 3.28Å; D399-A401 PolarHBondContact O-N 2.82Å; D399-L402 PolarHBondContact O-N 3.4Å; D399-L402 VanDerWaalsContact O-N 3.14Å; D399-R403 PolarHBondContact O-N 2.98Å
400E88.8Confident91.6Very high133 Ų13336.7 Ų36.762%0.62117%0.165SC*.Hα-helixtrans-57.1-40.1-179-175.5177.816600112.6L402 R403 R404E400-L402 VanDerWaalsContact C-N 3.3Å; E400-L402 PolarHBondContact O-N 3.06Å; E400-R403 PolarHBondContact O-N 3.04Å; E400-R404 WeakPolarHBondContact O-CB 3.25Å; E400-R404 PolarHBondContact O-N 2.85Å
401A89.4Confident91.5Very high29 Ų2939 Ų3924%0.2417%0.174CC..Hα-helixtrans-60.4-38.9179.200000112.6L366 D399 R405L366-A401 HydrophobicContact CD1-CB 3.86Å; L366-A401 HydrophobicContact CD2-CB 4.33Å; D399-A401 VanDerWaalsContact C-N 3.28Å; D399-A401 PolarHBondContact O-N 2.82Å; A401-R405 PolarHBondContact O-NH1 3.36Å
402L89.8Confident91.5Very high0 Ų039 Ų390%017%0.174CC..Hα-helixtrans-76.7-44.6177.4-17864.9000110.9I342 C346 L366 M369 I398 D399 E400 R404 R405 L406I342-L402 HydrophobicContact CD1-CD1 4.2Å; I342-L402 HydrophobicContact CD1-CD2 3.55Å; I342-L402 HydrophobicContact CD1-CG 4.38Å; I342-L402 HydrophobicContact CG1-CD2 3.68Å; I342-L402 HydrophobicContact CG2-CD2 4.43Å; C346-L402 HydrophobicContact CB-CB 4.47Å; C346-L402 HydrophobicContact CB-CD2 3.29Å; C346-L402 HydrophobicContact CB-CG 4.43Å; L366-L402 HydrophobicContact CD2-CB 3.97Å; L366-L402 HydrophobicContact CD2-CD1 3.94Å; M369-L402 HydrophobicContact CE-CD1 4.12Å; M369-L402 HydrophobicContact SD-CD1 3.52Å; M369-L402 VanDerWaalsContact SD-CD1 3.52Å; I398-L402 HydrophobicContact CG2-CB 4.08Å; I398-L402 HydrophobicContact CG2-CD2 4Å; I398-L402 HydrophobicContact CG2-CG 4.22Å; D399-L402 PolarHBondContact O-N 3.4Å; D399-L402 VanDerWaalsContact O-N 3.14Å; E400-L402 VanDerWaalsContact C-N 3.3Å; E400-L402 PolarHBondContact O-N 3.06Å; L402-R404 PolarHBondContact O-N 3.37Å; L402-R404 VanDerWaalsContact O-N 3.16Å; L402-R405 PolarHBondContact O-N 2.9Å; L402-L406 HydrophobicContact CD1-CD1 4.14Å; L402-L406 HydrophobicContact CD1-CG 4.37Å; L402-L406 HydrophobicContact CD2-CD1 4.16Å; L402-L406 HydrophobicContact CG-CD1 3.78Å; L402-L406 HydrophobicContact CG-CG 4.39Å; L402-L406 PolarHBondContact O-N 3.16Å
403R90.6Very high91.5Very high53 Ų5341.6 Ų41.620%0.219%0.191CC..Hα-helixtrans-54.9-34.1176.6-179.5167.544.3121.15.6112.2I398 D399 E400 R409I398-R403 HydrophobicContact CG2-CB 4.12Å; D399-R403 PolarHBondContact O-N 2.98Å; E400-R403 PolarHBondContact O-N 3.04Å; R403-R409 PolarHBondContact O-NH2 2.94Å
404R89.4Confident91.5Very high120 Ų12042 Ų4245%0.45319%0.193SC..Hα-helixtrans-63.2-41.5174.1-176.2-176.2177.7100.523.2113.7D104 E400 L402D104-R404 IonicContact OD2-CZ 3.13Å; D104-R404 IonicContact OD2-NE 2.89Å; D104-R404 PolarHBondContact OD2-NE 2.92Å; D104-R404 IonicContact OD2-NH2 2.68Å; D104-R404 PolarHBondContact OD2-NH2 3.39Å; E400-R404 WeakPolarHBondContact O-CB 3.25Å; E400-R404 PolarHBondContact O-N 2.85Å; L402-R404 PolarHBondContact O-N 3.37Å; L402-R404 VanDerWaalsContact O-N 3.16Å
405R90.4Very high91.6Very high52 Ų5238.4 Ų38.420%0.19618%0.179CC..Hα-helixtrans-79.2-25.3-179.6-70.9156.7175.978.34.9112.9L366 M369 D370 A401 L402 E407L366-R405 VanDerWaalsContact CD2-CD 3.5Å; L366-R405 PolarHBondContact O-NE 3.32Å; M369-R405 HydrophobicContact CE-CB 3.78Å; M369-R405 HydrophobicContact SD-CB 4.45Å; D370-R405 IonicContact OD1-CZ 2.75Å; D370-R405 IonicContact OD1-NE 3.4Å; D370-R405 PolarHBondContact OD1-NE 2.95Å; D370-R405 IonicContact OD1-NH2 3.29Å; D370-R405 PolarHBondContact OD1-NH2 3.2Å; D370-R405 IonicContact OD2-CZ 3.41Å; D370-R405 IonicContact OD2-NE 2.97Å; D370-R405 PolarHBondContact OD2-NE 3.41Å; D370-R405 IonicContact OD2-NH2 2.67Å; D370-R405 PolarHBondContact OD2-NH2 3.09Å; A401-R405 PolarHBondContact O-NH1 3.36Å; L402-R405 PolarHBondContact O-N 2.9Å; R405-E407 VanDerWaalsContact C-N 3.29Å; R405-E407 PolarHBondContact O-N 3.03Å
406L91.2Very high91.7Very high0 Ų043 Ų430%020%0.203CC..  trans-86.972.1171.5-63.6171.7000109.6G276 L278 I342 M369 A390 L402 R409G276-L406 CarbonylContact O-C 3.58Å; L278-L406 HydrophobicContact CB-CB 3.9Å; L278-L406 HydrophobicContact CB-CD1 4.02Å; L278-L406 HydrophobicContact CB-CG 4.37Å; L278-L406 HydrophobicContact CD1-CD1 4.05Å; L278-L406 HydrophobicContact CD2-CD1 4.29Å; L278-L406 HydrophobicContact CG-CD1 4.33Å; I342-L406 HydrophobicContact CD1-CD1 4.31Å; M369-L406 HydrophobicContact CE-CD2 3.76Å; M369-L406 HydrophobicContact CE-CG 4.15Å; A390-L406 HydrophobicContact CB-CD1 3.89Å; A390-L406 HydrophobicContact CB-CD2 3.83Å; L402-L406 HydrophobicContact CD1-CD1 4.14Å; L402-L406 HydrophobicContact CD1-CG 4.37Å; L402-L406 HydrophobicContact CD2-CD1 4.16Å; L402-L406 HydrophobicContact CG-CD1 3.78Å; L402-L406 HydrophobicContact CG-CG 4.39Å; L402-L406 PolarHBondContact O-N 3.16Å; L406-R409 VanDerWaalsContact O-CZ 3.3Å; L406-R409 PolarHBondContact O-NE 3.23Å; L406-R409 PolarHBondContact O-NH2 3.45Å; L406-R409 VanDerWaalsContact O-NH2 3.17Å
407E88.6Confident91.8Very high55 Ų5543.5 Ų43.526%0.25721%0.211SC..  trans-63.9-43.3-169.1-65.3175151.400113.1W274 G276 R405 R409W274-E407 HydrophobicContact CE3-CB 3.47Å; W274-E407 VanDerWaalsContact CE3-CB 3.47Å; W274-E407 HydrophobicContact CE3-CG 4.34Å; W274-E407 VanDerWaalsContact CE3-OE2 3.26Å; W274-E407 HydrophobicContact CZ3-CB 3.79Å; G276-E407 PolarHBondContact O-N 2.75Å; R405-E407 VanDerWaalsContact C-N 3.29Å; R405-E407 PolarHBondContact O-N 3.03Å; E407-R409 WeakPolarHBondContact O-CD 3.5Å; E407-R409 PolarHBondContact O-NE 3.45Å; E407-R409 PolarHBondContact O-NH1 3.2Å
408K90.9Very high92Very high22 Ų2245.1 Ų45.110%0.09622%0.224CC..EExtended strand (participates in β ladder)trans-94.2122.6178.5-168.665174.7165.20109.6A256 W274 G276 V277 L278 V410 A523A256-K408 HydrophobicContact CB-CG 4.49Å; W274-K408 HydrophobicContact CB-CB 4.48Å; W274-K408 HydrophobicContact CD2-CB 4.34Å; W274-K408 HydrophobicContact CG-CB 4.22Å; G276-K408 PolarHBondContact O-N 3.43Å; V277-K408 CarbonylContact C-O 3.55Å; V277-K408 WeakPolarHBondContact CA-O 3.41Å; V277-K408 HydrophobicContact CG1-CB 4.18Å; V277-K408 HydrophobicContact CG1-CG 4.31Å; V277-K408 HydrophobicContact CG2-CB 4.21Å; L278-K408 PolarHBondContact N-O 2.85Å; K408-V410 HydrophobicContact CG-CG2 4.28Å; K408-A523 HydrophobicContact CD-CB 3.93Å; K408-A523 PolarHBondContact NZ-O 2.84Å
409R93.4Very high92.2Very high50 Ų5045 Ų4519%0.18922%0.224CC..EExtended strand (participates in β ladder)trans-116.3118.7179.1-54.593.2-174.8-172.412.9109.5L278 R403 L406 E407 W517 F521L278-R409 HydrophobicContact CB-CG 4.35Å; L278-R409 HydrophobicContact CD2-CG 4.37Å; L278-R409 CarbonylContact O-C 3.55Å; L278-R409 WeakPolarHBondContact O-CA 3.44Å; R403-R409 PolarHBondContact O-NH2 2.94Å; L406-R409 VanDerWaalsContact O-CZ 3.3Å; L406-R409 PolarHBondContact O-NE 3.23Å; L406-R409 PolarHBondContact O-NH2 3.45Å; L406-R409 VanDerWaalsContact O-NH2 3.17Å; E407-R409 WeakPolarHBondContact O-CD 3.5Å; E407-R409 PolarHBondContact O-NE 3.45Å; E407-R409 PolarHBondContact O-NH1 3.2Å; R409-W517 HydrophobicContact CG-CH2 4.38Å; R409-F521 WeakPolarHBondContact CD-O 3.18Å
410V93.5Very high92.6Very high1 Ų144.4 Ų44.41%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-112.7121.6-174.7-1770000108.8A249 L252 V277 L278 M279 V280 K408 I412A249-V410 HydrophobicContact CB-CG1 3.69Å; L252-V410 HydrophobicContact CB-CG2 4.16Å; L252-V410 HydrophobicContact CD1-CG1 4.24Å; L252-V410 HydrophobicContact CD1-CG2 4.36Å; V277-V410 HydrophobicContact CG1-CG2 3.97Å; L278-V410 PolarHBondContact O-N 3Å; M279-V410 WeakPolarHBondContact CA-O 3.37Å; V280-V410 PolarHBondContact N-O 3.43Å; K408-V410 HydrophobicContact CG-CG2 4.28Å; V410-I412 HydrophobicContact CG1-CD1 3.86Å
411Y94.4Very high92.9Very high49 Ų4941.1 Ų41.119%0.19220%0.204CC..EExtended strand (participates in β ladder)trans-82.5130.2174.2-179.8-130.4000111V280 P413 Y514 M518V280-Y411 HydrophobicContact CG2-CD2 4.18Å; V280-Y411 CarbonylContact O-C 3.57Å; V280-Y411 WeakPolarHBondContact O-CA 3.35Å; V280-Y411 WeakPolarHBondContact O-CD2 3.31Å; Y411-P413 HydrophobicContact CD1-CB 4.21Å; Y411-P413 HydrophobicContact CE1-CB 3.72Å; Y411-P413 WeakPolarHBondContact O-CD 3.36Å; Y411-Y514 HydrophobicContact CE2-CG 4.12Å; Y411-M518 HydrophobicContact CD2-CG 4.15Å; Y411-M518 HydrophobicContact CG-CG 4.06Å
412I95.1Very high93.1Very high0 Ų042.1 Ų42.10%021%0.207CC..  trans-108.997.1175.8-49.6-54.9000108L246 A249 M279 V280 P282 T285 K287 L290 V410L246-I412 HydrophobicContact CD1-CG2 3.93Å; L246-I412 HydrophobicContact CD2-CG2 3.89Å; A249-I412 HydrophobicContact CB-CD1 3.43Å; A249-I412 VanDerWaalsContact CB-CD1 3.43Å; M279-I412 HydrophobicContact CB-CG1 4.2Å; V280-I412 PolarHBondContact O-N 3.34Å; P282-I412 WeakPolarHBondContact CD-O 3.23Å; T285-I412 WeakPolarHBondContact OG1-CG2 3.42Å; K287-I412 HydrophobicContact CG-CB 4.27Å; K287-I412 HydrophobicContact CG-CG1 4.01Å; L290-I412 HydrophobicContact CD2-CD1 3.59Å; L290-I412 HydrophobicContact CD2-CG1 4.49Å; V410-I412 HydrophobicContact CG1-CD1 3.86Å
413P94.5Very high93.3Very high53 Ų5343.7 Ų43.734%0.34422%0.215SC..PPolyproline II helixtrans-75.1171.9-174.432.1-37.2000112.7L246 Y411L246-P413 HydrophobicContact CD2-CG 4.28Å; Y411-P413 HydrophobicContact CD1-CB 4.21Å; Y411-P413 HydrophobicContact CE1-CB 3.72Å; Y411-P413 WeakPolarHBondContact O-CD 3.36Å
414L95.3Very high93.6Very high32 Ų3241.1 Ų41.117%0.16821%0.205CC..PPolyproline II helixtrans-65150.7162.9-67.6175.8000110.7P282 T285 V506 V511P282-L414 HydrophobicContact CB-CD2 4.26Å; P282-L414 HydrophobicContact CG-CD2 4.29Å; P282-L414 HydrophobicContact CG-CG 4.26Å; T285-L414 HydrophobicContact CG2-CD2 4.06Å; L414-V506 HydrophobicContact CD1-CB 4.34Å; L414-V506 HydrophobicContact CD1-CG1 4.23Å; L414-V506 HydrophobicContact CD2-CG2 4.27Å; L414-V511 HydrophobicContact CD1-CG2 3.76Å
415P95.1Very high93.8Very high19 Ų1940 Ų4012%0.12321%0.205CC..PPolyproline II helixtrans-66.6134.2-178.927.2-35.2000112.3A419 R420 L423 Y449 I454P415-A419 HydrophobicContact CB-CB 3.69Å; P415-R420 HydrophobicContact CB-CG 3.79Å; P415-R420 HydrophobicContact CG-CG 3.76Å; P415-R420 PolarHBondContact O-NH1 3.04Å; P415-L423 HydrophobicContact CB-CD1 3.92Å; P415-L423 HydrophobicContact CG-CD1 4.05Å; P415-Y449 WeakPolarHBondContact CD-O 3.47Å; P415-Y449 WeakPolarHBondContact CG-O 3.43Å; P415-I454 HydrophobicContact CG-CD1 3.97Å
416N94.5Very high93.8Very high98 Ų9841.3 Ų41.352%0.52422%0.215SC..PPolyproline II helixtrans-71.5170.916868.921.8000111.3T418 A419 R420N416-T418 VanDerWaalsContact C-N 3.29Å; N416-T418 PolarHBondContact O-N 2.91Å; N416-T418 PolarHBondContact OD1-N 3Å; N416-A419 WeakPolarHBondContact O-CB 3.36Å; N416-A419 PolarHBondContact O-N 2.97Å; N416-A419 VanDerWaalsContact OD1-CB 3.24Å; N416-A419 WeakPolarHBondContact OD1-CB 3.31Å; N416-A419 PolarHBondContact OD1-N 3.44Å; N416-R420 WeakPolarHBondContact O-CG 3.47Å; N416-R420 PolarHBondContact O-N 3.05Å
417V95.3Very high93.9Very high53 Ų5343.7 Ų43.732%0.32123%0.228SC..Hα-helixtrans-52-45.9-177-177.40000112.1A419 R420 K421 A443 E444V417-A419 PolarHBondContact O-N 3.36Å; V417-R420 PolarHBondContact O-N 3.25Å; V417-K421 PolarHBondContact O-N 3.06Å; V417-A443 HydrophobicContact CG1-CB 4.4Å; V417-E444 HydrophobicContact CG1-CG 4.32Å
418T94.6Very high94.1Very high100 Ų10041.5 Ų41.561%0.61322%0.218SC*.Hα-helixtrans-62.7-43.7178.3-49.40000112N416 K421 T422N416-T418 VanDerWaalsContact C-N 3.29Å; N416-T418 PolarHBondContact O-N 2.91Å; N416-T418 PolarHBondContact OD1-N 3Å; T418-K421 WeakPolarHBondContact O-CB 3.31Å; T418-K421 PolarHBondContact O-N 3.49Å; T418-T422 PolarHBondContact O-N 3.25Å; T418-T422 PolarHBondContact O-OG1 2.96Å
419A94.1Very high94.1Very high5 Ų548.8 Ų48.84%0.04125%0.249CC..Hα-helixtrans-64.4-39.8176.700000111.7A245 P415 N416 V417 T422 L423A245-A419 HydrophobicContact CB-CB 3.41Å; A245-A419 VanDerWaalsContact CB-CB 3.41Å; P415-A419 HydrophobicContact CB-CB 3.69Å; N416-A419 WeakPolarHBondContact O-CB 3.36Å; N416-A419 PolarHBondContact O-N 2.97Å; N416-A419 VanDerWaalsContact OD1-CB 3.24Å; N416-A419 WeakPolarHBondContact OD1-CB 3.31Å; N416-A419 PolarHBondContact OD1-N 3.44Å; V417-A419 PolarHBondContact O-N 3.36Å; A419-T422 PolarHBondContact O-N 2.98Å; A419-L423 WeakPolarHBondContact O-CB 3.47Å; A419-L423 VanDerWaalsContact O-CG 3.29Å; A419-L423 WeakPolarHBondContact O-CG 3.39Å; A419-L423 PolarHBondContact O-N 3.45Å
420R95.8Very high93.9Very high8 Ų853.9 Ų53.93%0.0328%0.28CS..Hα-helixtrans-61.7-43.5175.6-67-167.9-64.9-110.421.7111.3P415 N416 V417 L423 L424 A443 L446 D447 I454P415-R420 HydrophobicContact CB-CG 3.79Å; P415-R420 HydrophobicContact CG-CG 3.76Å; P415-R420 PolarHBondContact O-NH1 3.04Å; N416-R420 WeakPolarHBondContact O-CG 3.47Å; N416-R420 PolarHBondContact O-N 3.05Å; V417-R420 PolarHBondContact O-N 3.25Å; R420-L423 PolarHBondContact O-N 3.26Å; R420-L424 WeakPolarHBondContact O-CG 3.43Å; R420-L424 PolarHBondContact O-N 3.43Å; R420-A443 HydrophobicContact CB-CB 4.06Å; R420-A443 PolarHBondContact NE-O 3.37Å; R420-A443 PolarHBondContact NH2-O 3.24Å; R420-L446 WeakPolarHBondContact CD-O 3.48Å; R420-L446 PolarHBondContact NE-O 3.02Å; R420-D447 IonicContact CZ-OD1 2.75Å; R420-D447 IonicContact NH1-OD1 3.83Å; R420-D447 PolarHBondContact NH1-OD1 3.49Å; R420-D447 IonicContact NH2-OD1 3.03Å; R420-D447 PolarHBondContact NH2-OD1 3.27Å; R420-I454 HydrophobicContact CB-CD1 4.07Å; R420-I454 HydrophobicContact CG-CD1 3.67Å
421K95.7Very high93.8Very high65 Ų6555.5 Ų55.528%0.28329%0.291SS..Hα-helixtrans-59.5-47.3173.6-175.6-174.2-171.1165.80112.2V417 T418 L423 L424 Q425 E440 A443V417-K421 PolarHBondContact O-N 3.06Å; T418-K421 WeakPolarHBondContact O-CB 3.31Å; T418-K421 PolarHBondContact O-N 3.49Å; K421-L423 VanDerWaalsContact C-N 3.32Å; K421-L423 PolarHBondContact O-N 3.27Å; K421-L424 WeakPolarHBondContact O-CB 3.49Å; K421-L424 PolarHBondContact O-N 3.05Å; K421-Q425 WeakPolarHBondContact O-CG 3.39Å; K421-Q425 PolarHBondContact O-N 3.02Å; K421-E440 VanDerWaalsContact CD-OE2 3.24Å; K421-E440 WeakPolarHBondContact CD-OE2 3.38Å; K421-E440 VanDerWaalsContact CE-OE2 3.29Å; K421-E440 WeakPolarHBondContact CE-OE2 3.44Å; K421-E440 IonicContact NZ-OE2 3.85Å; K421-E440 PolarHBondContact NZ-OE2 3.28Å; K421-A443 HydrophobicContact CB-CB 4.08Å
422T93.5Very high93.7Very high50 Ų5055.3 Ų55.331%0.30730%0.295SS..Hα-helixtrans-62.4-40.7176.9-57.20000111.5A244 T418 A419 L424 Q425 I426A244-T422 HydrophobicContact CB-CG2 3.84Å; T418-T422 PolarHBondContact O-N 3.25Å; T418-T422 PolarHBondContact O-OG1 2.96Å; A419-T422 PolarHBondContact O-N 2.98Å; T422-L424 PolarHBondContact O-N 2.7Å; T422-Q425 WeakPolarHBondContact O-CB 3.45Å; T422-Q425 PolarHBondContact O-N 3.41Å; T422-I426 HydrophobicContact CG2-CD1 4.02Å; T422-I426 WeakPolarHBondContact O-CG1 3.29Å; T422-I426 PolarHBondContact O-N 2.75Å
423L93.8Very high93.7Very high32 Ų3258.3 Ų58.317%0.16831%0.311CS..Hα-helixtrans-61.3-42.9174.4-75.1168.9000111.9A244 P415 A419 R420 K421 Q425 I426 N427 I454A244-L423 HydrophobicContact CB-CD2 3.65Å; A244-L423 HydrophobicContact CB-CG 3.7Å; P415-L423 HydrophobicContact CB-CD1 3.92Å; P415-L423 HydrophobicContact CG-CD1 4.05Å; A419-L423 WeakPolarHBondContact O-CB 3.47Å; A419-L423 VanDerWaalsContact O-CG 3.29Å; A419-L423 WeakPolarHBondContact O-CG 3.39Å; A419-L423 PolarHBondContact O-N 3.45Å; R420-L423 PolarHBondContact O-N 3.26Å; K421-L423 VanDerWaalsContact C-N 3.32Å; K421-L423 PolarHBondContact O-N 3.27Å; L423-Q425 VanDerWaalsContact C-N 3.34Å; L423-Q425 PolarHBondContact O-N 3.23Å; L423-I426 PolarHBondContact O-N 3.31Å; L423-N427 WeakPolarHBondContact O-CB 3.32Å; L423-N427 PolarHBondContact O-N 3.04Å; L423-N427 PolarHBondContact O-ND2 3.01Å; L423-I454 HydrophobicContact CB-CG2 4.27Å; L423-I454 HydrophobicContact CD1-CD1 3.91Å
424L95.7Very high93.7Very high0 Ų056.9 Ų56.90%030%0.304CS..Hα-helixtrans-58.6-46.6174.1-70.7168.4000111R420 K421 T422 I426 N427 L428 L439 I442 A443 L446 I454 C458R420-L424 WeakPolarHBondContact O-CG 3.43Å; R420-L424 PolarHBondContact O-N 3.43Å; K421-L424 WeakPolarHBondContact O-CB 3.49Å; K421-L424 PolarHBondContact O-N 3.05Å; T422-L424 PolarHBondContact O-N 2.7Å; L424-I426 VanDerWaalsContact C-N 3.34Å; L424-I426 PolarHBondContact O-N 3.12Å; L424-N427 PolarHBondContact O-N 3.23Å; L424-L428 HydrophobicContact CB-CD1 4.48Å; L424-L428 VanDerWaalsContact O-CB 3.27Å; L424-L428 WeakPolarHBondContact O-CB 3.3Å; L424-L428 VanDerWaalsContact O-CG 3.23Å; L424-L428 WeakPolarHBondContact O-CG 3.44Å; L424-L428 PolarHBondContact O-N 3.05Å; L424-L439 HydrophobicContact CB-CD2 4.37Å; L424-L439 WeakPolarHBondContact CD1-O 3.4Å; L424-I442 HydrophobicContact CD1-CB 3.97Å; L424-I442 HydrophobicContact CD1-CG2 3.73Å; L424-I442 HydrophobicContact CD2-CG2 4.01Å; L424-A443 HydrophobicContact CD1-CB 4.06Å; L424-L446 HydrophobicContact CD1-CD1 4.35Å; L424-L446 HydrophobicContact CD2-CD1 3.98Å; L424-L446 HydrophobicContact CG-CD1 4.47Å; L424-I454 HydrophobicContact CD2-CG2 3.81Å; L424-I454 HydrophobicContact CG-CG2 4.18Å; L424-C458 VanDerWaalsContact CD2-SG 3.58Å
425Q93.8Very high93.7Very high97 Ų9765.4 Ų65.445%0.45334%0.343SS..Hα-helixtrans-60.6-40.8178.2-70.3173-23.500112.7K421 T422 L423 K429 L439K421-Q425 WeakPolarHBondContact O-CG 3.39Å; K421-Q425 PolarHBondContact O-N 3.02Å; T422-Q425 WeakPolarHBondContact O-CB 3.45Å; T422-Q425 PolarHBondContact O-N 3.41Å; L423-Q425 VanDerWaalsContact C-N 3.34Å; L423-Q425 PolarHBondContact O-N 3.23Å; Q425-K429 PolarHBondContact O-N 3.24Å; Q425-L439 HydrophobicContact CG-CD1 3.77Å
426I91.4Very high93.7Very high79 Ų7968.8 Ų68.841%0.40536%0.359SS..Hα-helixtrans-66.5-48.7177.2-68166.9000110.5A244 T422 L423 L424 L428 K429A244-I426 HydrophobicContact CB-CD1 4.07Å; T422-I426 HydrophobicContact CG2-CD1 4.02Å; T422-I426 WeakPolarHBondContact O-CG1 3.29Å; T422-I426 PolarHBondContact O-N 2.75Å; L423-I426 PolarHBondContact O-N 3.31Å; L424-I426 VanDerWaalsContact C-N 3.34Å; L424-I426 PolarHBondContact O-N 3.12Å; I426-L428 VanDerWaalsContact C-N 3.28Å; I426-L428 PolarHBondContact O-N 3.1Å; I426-K429 PolarHBondContact O-N 3.49Å
427N92.4Very high93.7Very high49 Ų4965.2 Ų65.226%0.26234%0.341SS..Hα-helixtrans-67.7-27-177.3-78.5-81.8000113.2L423 L424 T455 C458L423-N427 WeakPolarHBondContact O-CB 3.32Å; L423-N427 PolarHBondContact O-N 3.04Å; L423-N427 PolarHBondContact O-ND2 3.01Å; L424-N427 PolarHBondContact O-N 3.23Å; N427-T455 PolarHBondContact ND2-OG1 2.84Å; N427-T455 WeakPolarHBondContact OD1-CB 3.44Å; N427-T455 WeakPolarHBondContact OD1-CG2 3.28Å; N427-T455 PolarHBondContact OD1-OG1 2.93Å; N427-C458 HydrophobicContact CB-CB 3.97Å
428L94.1Very high93.8Very high9 Ų966.4 Ų66.45%0.04735%0.346CS..THydrogen-bonded Turntrans-101.37.7-176-61.6171.6000113.6L424 I426 D430 V431 L433 L439 C458 F495L424-L428 HydrophobicContact CB-CD1 4.48Å; L424-L428 VanDerWaalsContact O-CB 3.27Å; L424-L428 WeakPolarHBondContact O-CB 3.3Å; L424-L428 VanDerWaalsContact O-CG 3.23Å; L424-L428 WeakPolarHBondContact O-CG 3.44Å; L424-L428 PolarHBondContact O-N 3.05Å; I426-L428 VanDerWaalsContact C-N 3.28Å; I426-L428 PolarHBondContact O-N 3.1Å; L428-D430 PolarHBondContact O-N 2.93Å; L428-D430 VanDerWaalsContact O-N 3.16Å; L428-V431 HydrophobicContact CD2-CB 4.25Å; L428-V431 HydrophobicContact CD2-CG2 4.32Å; L428-V431 PolarHBondContact O-N 3.39Å; L428-V431 VanDerWaalsContact O-N 3.09Å; L428-L433 HydrophobicContact CB-CD1 4.27Å; L428-L433 HydrophobicContact CB-CD2 4.45Å; L428-L433 HydrophobicContact CD1-CD1 4.19Å; L428-L433 HydrophobicContact CD1-CD2 4.2Å; L428-L433 HydrophobicContact CD2-CD2 4.32Å; L428-L439 HydrophobicContact CD1-CD2 3.76Å; L428-C458 HydrophobicContact CD2-CB 3.82Å; L428-C458 HydrophobicContact CG-CB 4.38Å; L428-F495 HydrophobicContact CD1-CE1 3.92Å; L428-F495 HydrophobicContact CD1-CZ 3.58Å; L428-F495 HydrophobicContact CD2-CE1 4.13Å; L428-F495 HydrophobicContact CD2-CZ 3.8Å; L428-F495 HydrophobicContact CG-CZ 4.35Å
429K91.2Very high93.8Very high175 Ų17563.1 Ų63.176%0.76133%0.325SS*.THydrogen-bonded Turntrans-57.6-33.2-174.8-165.9179.6179.8-175.90113.7Q425 I426Q425-K429 PolarHBondContact O-N 3.24Å; I426-K429 PolarHBondContact O-N 3.49Å
430D89Confident93.9Very high157 Ų15766 Ų6684%0.8434%0.337SS*.THydrogen-bonded Turntrans-104.96.8-178.9-59.8-41.4000113.3L428L428-D430 PolarHBondContact O-N 2.93Å; L428-D430 VanDerWaalsContact O-N 3.16Å
431V91.4Very high94Very high36 Ų3671.1 Ų71.122%0.21836%0.356CS..SBendtrans-104.4124.9-178.2-178.80000109.5L428 L433 T490L428-V431 HydrophobicContact CD2-CB 4.25Å; L428-V431 HydrophobicContact CD2-CG2 4.32Å; L428-V431 PolarHBondContact O-N 3.39Å; L428-V431 VanDerWaalsContact O-N 3.09Å; V431-L433 HydrophobicContact CG1-CD2 4.31Å; V431-L433 PolarHBondContact O-N 2.84Å; V431-T490 WeakPolarHBondContact CG1-OG1 3.47Å
432P92.2Very high94Very high44 Ų4468 Ų6829%0.28634%0.343SS..PPolyproline II helixtrans-65.3123.1173.327-32.3000109.6P489 T490P432-P489 HydrophobicContact CB-CB 4.47Å; P432-P489 CarbonylContact O-C 3.54Å; P432-P489 VanDerWaalsContact O-CA 3.28Å; P432-P489 WeakPolarHBondContact O-CA 3.5Å; P432-T490 PolarHBondContact O-N 3.44Å
433L94.8Very high94.2Very high63 Ų6365.7 Ų65.733%0.3333%0.328SS..BIsolated β-bridgetrans-103.5142.5177.2-58.5-179.8000110.1L428 V431 V437 L439 F495L428-L433 HydrophobicContact CB-CD1 4.27Å; L428-L433 HydrophobicContact CB-CD2 4.45Å; L428-L433 HydrophobicContact CD1-CD1 4.19Å; L428-L433 HydrophobicContact CD1-CD2 4.2Å; L428-L433 HydrophobicContact CD2-CD2 4.32Å; V431-L433 HydrophobicContact CG1-CD2 4.31Å; V431-L433 PolarHBondContact O-N 2.84Å; L433-V437 HydrophobicContact CB-CB 4.49Å; L433-V437 HydrophobicContact CB-CG2 4.39Å; L433-V437 HydrophobicContact CD1-CG1 4.38Å; L433-L439 HydrophobicContact CD1-CD2 4.43Å; L433-F495 HydrophobicContact CD2-CE2 4.13Å; L433-F495 HydrophobicContact CD2-CZ 4.11Å
434A94.4Very high94.3Very high24 Ų2470 Ų7020%0.19835%0.348CS..PPolyproline II helixtrans-76.5158170.200000111D436 V437 P489 T490 R491A434-D436 WeakPolarHBondContact CB-OD1 3.34Å; A434-D436 PolarHBondContact O-N 3.17Å; A434-V437 WeakPolarHBondContact O-CB 3.35Å; A434-V437 WeakPolarHBondContact O-CG2 3.02Å; A434-V437 PolarHBondContact O-N 3.24Å; A434-P489 HydrophobicContact CB-CB 4.11Å; A434-T490 WeakPolarHBondContact CB-O 3.39Å; A434-T490 PolarHBondContact N-O 3.46Å; A434-R491 HydrophobicContact CB-CG 4.15Å
435E94.3Very high94.3Very high211 Ų21173.7 Ų73.799%0.98637%0.365SS*.THydrogen-bonded Turntrans-65.2-18.1-176-62.7-176.9173.200113.7V437E435-V437 VanDerWaalsContact C-N 3.3Å
436D95.8Very high94.4Very high89 Ų8969 Ų6948%0.47634%0.343SS..THydrogen-bonded Turntrans-79.9-8.5178.767.6-38.9000113.7A434 D438 M492A434-D436 WeakPolarHBondContact CB-OD1 3.34Å; A434-D436 PolarHBondContact O-N 3.17Å; D436-D438 PolarHBondContact O-N 3.28Å; D436-M492 HydrophobicContact CB-CB 4.49Å; D436-M492 WeakPolarHBondContact OD2-CB 3.44Å; D436-M492 PolarHBondContact OD2-N 3.27Å; D436-M492 VanDerWaalsContact OD2-N 3.1Å
437V95.5Very high94.6Very high23 Ų2370.2 Ų70.214%0.13935%0.351CS..  trans-76.7112.4-176178.70000111.1L433 A434 E435 L439 I442 T490 F495L433-V437 HydrophobicContact CB-CB 4.49Å; L433-V437 HydrophobicContact CB-CG2 4.39Å; L433-V437 HydrophobicContact CD1-CG1 4.38Å; A434-V437 WeakPolarHBondContact O-CB 3.35Å; A434-V437 WeakPolarHBondContact O-CG2 3.02Å; A434-V437 PolarHBondContact O-N 3.24Å; E435-V437 VanDerWaalsContact C-N 3.3Å; V437-L439 HydrophobicContact CG1-CD2 3.89Å; V437-I442 HydrophobicContact CG1-CD1 4.03Å; V437-T490 VanDerWaalsContact CG2-O 3.31Å; V437-T490 WeakPolarHBondContact CG2-O 3.5Å; V437-F495 HydrophobicContact CG1-CD2 4.22Å; V437-F495 HydrophobicContact CG1-CE2 3.9Å; V437-F495 HydrophobicContact CG2-CD2 4.45Å; V437-F495 HydrophobicContact CG2-CE2 4.21Å
438D95.7Very high94.7Very high79 Ų7968.7 Ų68.742%0.42235%0.346SS..  trans-102.6102.2173.2-175.3-4.9000111.3D436 E440 R441 I442D436-D438 PolarHBondContact O-N 3.28Å; D438-E440 VanDerWaalsContact C-N 3.27Å; D438-E440 PolarHBondContact O-N 2.93Å; D438-E440 WeakPolarHBondContact OD1-CB 3.28Å; D438-E440 PolarHBondContact OD1-N 2.68Å; D438-R441 HydrophobicContact CB-CB 4.06Å; D438-R441 PolarHBondContact O-N 2.97Å; D438-R441 PolarHBondContact OD1-N 2.99Å; D438-I442 WeakPolarHBondContact O-CG1 3.45Å; D438-I442 PolarHBondContact O-N 3.04Å; D438-I442 VanDerWaalsContact O-N 3.16Å
439L96.2Very high94.8Very high31 Ų3169.4 Ų69.416%0.16235%0.348CS..Hα-helixtrans-66.1-25.8179.8-60-177000113.6L424 Q425 L428 L433 V437 I442 A443L424-L439 HydrophobicContact CB-CD2 4.37Å; L424-L439 WeakPolarHBondContact CD1-O 3.4Å; Q425-L439 HydrophobicContact CG-CD1 3.77Å; L428-L439 HydrophobicContact CD1-CD2 3.76Å; L433-L439 HydrophobicContact CD1-CD2 4.43Å; V437-L439 HydrophobicContact CG1-CD2 3.89Å; L439-I442 HydrophobicContact CD2-CD1 4.35Å; L439-A443 WeakPolarHBondContact O-CB 3.41Å; L439-A443 PolarHBondContact O-N 3.04Å
440E96.2Very high95Very high66 Ų6661 Ų6131%0.30831%0.312SS..Hα-helixtrans-69.2-48.1177.1-166.372.1-143.900109.7K421 D438 I442 A443 E444K421-E440 VanDerWaalsContact CD-OE2 3.24Å; K421-E440 WeakPolarHBondContact CD-OE2 3.38Å; K421-E440 VanDerWaalsContact CE-OE2 3.29Å; K421-E440 WeakPolarHBondContact CE-OE2 3.44Å; K421-E440 IonicContact NZ-OE2 3.85Å; K421-E440 PolarHBondContact NZ-OE2 3.28Å; D438-E440 VanDerWaalsContact C-N 3.27Å; D438-E440 PolarHBondContact O-N 2.93Å; D438-E440 WeakPolarHBondContact OD1-CB 3.28Å; D438-E440 PolarHBondContact OD1-N 2.68Å; E440-I442 VanDerWaalsContact C-N 3.31Å; E440-I442 PolarHBondContact O-N 3.29Å; E440-A443 WeakPolarHBondContact O-CB 3.42Å; E440-A443 PolarHBondContact O-N 3.47Å; E440-A443 VanDerWaalsContact O-N 3.1Å; E440-E444 PolarHBondContact O-N 3.05Å
441R96.3Very high95.3Very high115 Ų11554.2 Ų54.243%0.43428%0.279SS..Hα-helixtrans-60.3-40.7177.4-176.1172.9170.4-150.2-15.9112.2D438 E444 Q445 M492 E496D438-R441 HydrophobicContact CB-CB 4.06Å; D438-R441 PolarHBondContact O-N 2.97Å; D438-R441 PolarHBondContact OD1-N 2.99Å; R441-E444 PolarHBondContact O-N 3.27Å; R441-Q445 WeakPolarHBondContact O-CG 3.5Å; R441-Q445 PolarHBondContact O-N 3.08Å; R441-M492 HydrophobicContact CB-CE 4.43Å; R441-M492 HydrophobicContact CG-CE 4.17Å; R441-E496 IonicContact CZ-OE1 3.41Å; R441-E496 IonicContact NH1-OE1 2.75Å; R441-E496 IonicContact NH2-OE1 3.19Å; R441-E496 PolarHBondContact NH2-OE1 2.84Å
442I96.6Very high95.5Very high0 Ų054.5 Ų54.50%029%0.285CS..Hα-helixtrans-64.5-43.6175.1-62.3165.2000110.2L424 V437 D438 L439 E440 E444 Q445 L446 M492 F495L424-I442 HydrophobicContact CD1-CB 3.97Å; L424-I442 HydrophobicContact CD1-CG2 3.73Å; L424-I442 HydrophobicContact CD2-CG2 4.01Å; V437-I442 HydrophobicContact CG1-CD1 4.03Å; D438-I442 WeakPolarHBondContact O-CG1 3.45Å; D438-I442 PolarHBondContact O-N 3.04Å; D438-I442 VanDerWaalsContact O-N 3.16Å; L439-I442 HydrophobicContact CD2-CD1 4.35Å; E440-I442 VanDerWaalsContact C-N 3.31Å; E440-I442 PolarHBondContact O-N 3.29Å; I442-E444 VanDerWaalsContact C-N 3.28Å; I442-E444 PolarHBondContact O-N 2.88Å; I442-Q445 PolarHBondContact O-N 3.4Å; I442-Q445 VanDerWaalsContact O-N 3.15Å; I442-L446 HydrophobicContact CG2-CD1 3.66Å; I442-L446 HydrophobicContact CG2-CG 4.23Å; I442-L446 VanDerWaalsContact O-CG 3.26Å; I442-L446 WeakPolarHBondContact O-CG 3.48Å; I442-L446 PolarHBondContact O-N 2.97Å; I442-L446 VanDerWaalsContact O-N 3.11Å; I442-M492 HydrophobicContact CD1-CE 4.38Å; I442-M492 HydrophobicContact CD1-SD 3.89Å; I442-M492 HydrophobicContact CG1-CE 3.74Å; I442-M492 HydrophobicContact CG1-SD 3.93Å; I442-F495 HydrophobicContact CD1-CB 3.79Å; I442-F495 HydrophobicContact CD1-CD1 3.93Å; I442-F495 HydrophobicContact CD1-CD2 3.81Å; I442-F495 HydrophobicContact CD1-CE1 4.47Å; I442-F495 HydrophobicContact CD1-CE2 4.37Å; I442-F495 HydrophobicContact CD1-CG 3.57Å; I442-F495 HydrophobicContact CG1-CB 4.22Å; I442-F495 HydrophobicContact CG1-CG 4.47Å
443A97.1Very high95.7Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-61.6-34.6178.800000113V417 R420 K421 L424 L439 E440V417-A443 HydrophobicContact CG1-CB 4.4Å; R420-A443 HydrophobicContact CB-CB 4.06Å; R420-A443 PolarHBondContact NE-O 3.37Å; R420-A443 PolarHBondContact NH2-O 3.24Å; K421-A443 HydrophobicContact CB-CB 4.08Å; L424-A443 HydrophobicContact CD1-CB 4.06Å; L439-A443 WeakPolarHBondContact O-CB 3.41Å; L439-A443 PolarHBondContact O-N 3.04Å; E440-A443 WeakPolarHBondContact O-CB 3.42Å; E440-A443 PolarHBondContact O-N 3.47Å; E440-A443 VanDerWaalsContact O-N 3.1Å
444E96.8Very high95.8Very high122 Ų12250 Ų5057%0.5726%0.259SS*.Hα-helixtrans-67.4-40.5173.6-70.5-179.3169.600112.4V417 E440 R441 I442 L446V417-E444 HydrophobicContact CG1-CG 4.32Å; E440-E444 PolarHBondContact O-N 3.05Å; R441-E444 PolarHBondContact O-N 3.27Å; I442-E444 VanDerWaalsContact C-N 3.28Å; I442-E444 PolarHBondContact O-N 2.88Å; E444-L446 VanDerWaalsContact C-N 3.3Å; E444-L446 PolarHBondContact O-N 3.41Å
445Q95.4Very high95.8Very high78 Ų7851.5 Ų51.536%0.36427%0.266SS..Hα-helixtrans-67.8-28178.5-71.2177.8-29.600113.3R441 I442 D447R441-Q445 WeakPolarHBondContact O-CG 3.5Å; R441-Q445 PolarHBondContact O-N 3.08Å; I442-Q445 PolarHBondContact O-N 3.4Å; I442-Q445 VanDerWaalsContact O-N 3.15Å; Q445-D447 PolarHBondContact O-N 2.97Å; Q445-D447 VanDerWaalsContact O-N 3.11Å
446L96.1Very high95.9Very high0 Ų045 Ų450%024%0.238CC..THydrogen-bonded Turntrans-82.930.5-177.9-66.9173.2000113.6R420 L424 I442 E444 G448 Y449 I454 V457 V499R420-L446 WeakPolarHBondContact CD-O 3.48Å; R420-L446 PolarHBondContact NE-O 3.02Å; L424-L446 HydrophobicContact CD1-CD1 4.35Å; L424-L446 HydrophobicContact CD2-CD1 3.98Å; L424-L446 HydrophobicContact CG-CD1 4.47Å; I442-L446 HydrophobicContact CG2-CD1 3.66Å; I442-L446 HydrophobicContact CG2-CG 4.23Å; I442-L446 VanDerWaalsContact O-CG 3.26Å; I442-L446 WeakPolarHBondContact O-CG 3.48Å; I442-L446 PolarHBondContact O-N 2.97Å; I442-L446 VanDerWaalsContact O-N 3.11Å; E444-L446 VanDerWaalsContact C-N 3.3Å; E444-L446 PolarHBondContact O-N 3.41Å; L446-G448 PolarHBondContact O-N 3.26Å; L446-Y449 HydrophobicContact CB-CD2 4.29Å; L446-Y449 HydrophobicContact CB-CG 4.23Å; L446-Y449 HydrophobicContact CD2-CD1 3.67Å; L446-Y449 HydrophobicContact CD2-CD2 4.17Å; L446-Y449 HydrophobicContact CD2-CE1 3.8Å; L446-Y449 HydrophobicContact CD2-CE2 4.27Å; L446-Y449 HydrophobicContact CD2-CG 3.9Å; L446-Y449 WeakPolarHBondContact O-CB 3.26Å; L446-Y449 WeakPolarHBondContact O-CD2 3.43Å; L446-Y449 PolarHBondContact O-N 3.33Å; L446-I454 HydrophobicContact CD1-CG1 4.2Å; L446-I454 HydrophobicContact CD1-CG2 4.28Å; L446-V457 HydrophobicContact CD2-CG1 4.37Å; L446-V457 HydrophobicContact CD2-CG2 3.94Å; L446-V499 HydrophobicContact CD2-CG2 3.88Å
447D95Very high96Very high104 Ų10440.8 Ų40.856%0.55622%0.215SC*.THydrogen-bonded Turntrans-67.2130.3-179.8-163.948.6000112.8R420 Q445 Y449R420-D447 IonicContact CZ-OD1 2.75Å; R420-D447 IonicContact NH1-OD1 3.83Å; R420-D447 PolarHBondContact NH1-OD1 3.49Å; R420-D447 IonicContact NH2-OD1 3.03Å; R420-D447 PolarHBondContact NH2-OD1 3.27Å; Q445-D447 PolarHBondContact O-N 2.97Å; Q445-D447 VanDerWaalsContact O-N 3.11Å; D447-Y449 VanDerWaalsContact C-N 3.32Å
448G94.3Very high96Very high17 Ų1739.9 Ų39.918%0.17521%0.21CC..THydrogen-bonded Turntrans79.33.8-174.100000115.8L446L446-G448 PolarHBondContact O-N 3.26Å
449Y96.5Very high96Very high23 Ų2344.1 Ų44.19%0.0922%0.22CC..  trans-78.2140.7175.1-77.3-120.4000111P415 L446 D447 D453 V457 V502 R504P415-Y449 WeakPolarHBondContact CD-O 3.47Å; P415-Y449 WeakPolarHBondContact CG-O 3.43Å; L446-Y449 HydrophobicContact CB-CD2 4.29Å; L446-Y449 HydrophobicContact CB-CG 4.23Å; L446-Y449 HydrophobicContact CD2-CD1 3.67Å; L446-Y449 HydrophobicContact CD2-CD2 4.17Å; L446-Y449 HydrophobicContact CD2-CE1 3.8Å; L446-Y449 HydrophobicContact CD2-CE2 4.27Å; L446-Y449 HydrophobicContact CD2-CG 3.9Å; L446-Y449 WeakPolarHBondContact O-CB 3.26Å; L446-Y449 WeakPolarHBondContact O-CD2 3.43Å; L446-Y449 PolarHBondContact O-N 3.33Å; D447-Y449 VanDerWaalsContact C-N 3.32Å; Y449-D453 HydrophobicContact CD1-CB 3.54Å; Y449-D453 HydrophobicContact CE1-CB 4.4Å; Y449-D453 HydrophobicContact CG-CB 4.17Å; Y449-V457 HydrophobicContact CD1-CG2 4.26Å; Y449-V457 HydrophobicContact CE1-CG2 3.99Å; Y449-V502 HydrophobicContact CE1-CG1 4.37Å; Y449-V502 VanDerWaalsContact CE1-O 3.3Å; Y449-V502 WeakPolarHBondContact CE1-O 3.33Å; Y449-V502 PolarHBondContact OH-O 3.23Å; Y449-R504 HydrophobicContact CD2-CB 4.07Å; Y449-R504 HydrophobicContact CE2-CB 4.05Å; Y449-R504 HydrophobicContact CG-CB 4.45Å
450S95.9Very high95.9Very high0 Ų043.8 Ų43.80%022%0.218CC..  trans-77167.4169.771.50000111.5A452 D453 I454S450-A452 PolarHBondContact O-N 2.7Å; S450-D453 WeakPolarHBondContact CB-OD2 3.38Å; S450-D453 PolarHBondContact N-OD2 2.94Å; S450-D453 PolarHBondContact O-N 2.87Å; S450-D453 VanDerWaalsContact O-N 3.13Å; S450-D453 PolarHBondContact OG-N 3.35Å; S450-D453 PolarHBondContact OG-OD1 3.35Å; S450-D453 PolarHBondContact OG-OD2 2.68Å; S450-I454 WeakPolarHBondContact O-CG1 3.3Å; S450-I454 PolarHBondContact O-N 3.28Å
451G94.8Very high95.9Very high13 Ų1340.7 Ų40.713%0.13420%0.204CC..Hα-helixtrans-58.3-38.7174.900000112.5G284 I454 T455G284-G451 WeakPolarHBondContact O-CA 3.11Å; G284-G451 PolarHBondContact O-N 2.68Å; G451-I454 PolarHBondContact O-N 3Å; G451-T455 PolarHBondContact O-N 3.04Å; G451-T455 PolarHBondContact O-OG1 3.45Å
452A94.9Very high95.8Very high42 Ų4236.9 Ų36.935%0.34720%0.195SC..Hα-helixtrans-65-40.4174.400000112.8G284 S450 I454 T455 N456G284-A452 PolarHBondContact O-N 3.33Å; G284-A452 VanDerWaalsContact O-N 3.09Å; S450-A452 PolarHBondContact O-N 2.7Å; A452-I454 VanDerWaalsContact C-N 3.34Å; A452-I454 PolarHBondContact O-N 2.63Å; A452-T455 PolarHBondContact O-N 3.1Å; A452-N456 PolarHBondContact O-N 3.11Å; A452-N456 PolarHBondContact O-ND2 3.26Å
453D96.8Very high95.6Very high13 Ų1340.2 Ų40.27%0.0721%0.211CC..Hα-helixtrans-64.3-41.2177.2-55.5-36.2000110.8Y449 S450 N456 V457 S505Y449-D453 HydrophobicContact CD1-CB 3.54Å; Y449-D453 HydrophobicContact CE1-CB 4.4Å; Y449-D453 HydrophobicContact CG-CB 4.17Å; S450-D453 WeakPolarHBondContact CB-OD2 3.38Å; S450-D453 PolarHBondContact N-OD2 2.94Å; S450-D453 PolarHBondContact O-N 2.87Å; S450-D453 VanDerWaalsContact O-N 3.13Å; S450-D453 PolarHBondContact OG-N 3.35Å; S450-D453 PolarHBondContact OG-OD1 3.35Å; S450-D453 PolarHBondContact OG-OD2 2.68Å; D453-N456 WeakPolarHBondContact O-CB 3.43Å; D453-N456 PolarHBondContact O-N 3.32Å; D453-N456 VanDerWaalsContact O-N 3.17Å; D453-V457 WeakPolarHBondContact O-CG2 3.32Å; D453-V457 PolarHBondContact O-N 3.47Å; D453-S505 WeakPolarHBondContact OD1-CB 3.26Å; D453-S505 PolarHBondContact OD1-OG 3.46Å; D453-S505 VanDerWaalsContact OD1-OG 3.04Å; D453-S505 PolarHBondContact OD2-N 3.48Å; D453-S505 PolarHBondContact OD2-OG 3.03Å
454I96.7Very high95.3Very high0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-63.6-43.9176.8-62.4169.1000110.8P415 R420 L423 L424 L446 S450 G451 A452 N456 V457 C458P415-I454 HydrophobicContact CG-CD1 3.97Å; R420-I454 HydrophobicContact CB-CD1 4.07Å; R420-I454 HydrophobicContact CG-CD1 3.67Å; L423-I454 HydrophobicContact CB-CG2 4.27Å; L423-I454 HydrophobicContact CD1-CD1 3.91Å; L424-I454 HydrophobicContact CD2-CG2 3.81Å; L424-I454 HydrophobicContact CG-CG2 4.18Å; L446-I454 HydrophobicContact CD1-CG1 4.2Å; L446-I454 HydrophobicContact CD1-CG2 4.28Å; S450-I454 WeakPolarHBondContact O-CG1 3.3Å; S450-I454 PolarHBondContact O-N 3.28Å; G451-I454 PolarHBondContact O-N 3Å; A452-I454 VanDerWaalsContact C-N 3.34Å; A452-I454 PolarHBondContact O-N 2.63Å; I454-N456 VanDerWaalsContact C-N 3.27Å; I454-N456 PolarHBondContact O-N 2.62Å; I454-V457 PolarHBondContact O-N 3.49Å; I454-C458 PolarHBondContact O-N 2.83Å; I454-C458 PolarHBondContact O-SG 3.33Å
455T95.3Very high94.8Very high56 Ų5635 Ų3534%0.34419%0.188SC..Hα-helixtrans-58.3-40.8173-65.90000111.5N427 G451 A452 C458 R459N427-T455 PolarHBondContact ND2-OG1 2.84Å; N427-T455 WeakPolarHBondContact OD1-CB 3.44Å; N427-T455 WeakPolarHBondContact OD1-CG2 3.28Å; N427-T455 PolarHBondContact OD1-OG1 2.93Å; G451-T455 PolarHBondContact O-N 3.04Å; G451-T455 PolarHBondContact O-OG1 3.45Å; A452-T455 PolarHBondContact O-N 3.1Å; T455-C458 PolarHBondContact O-N 3.35Å; T455-R459 WeakPolarHBondContact O-CB 3.4Å; T455-R459 PolarHBondContact O-N 2.69Å
456N96.4Very high94.6Very high75 Ų7534.2 Ų34.240%0.40119%0.185SC..Hα-helixtrans-66.1-38.4176.3-73-27.8000112.5A452 D453 I454 R459 D460 V502A452-N456 PolarHBondContact O-N 3.11Å; A452-N456 PolarHBondContact O-ND2 3.26Å; D453-N456 WeakPolarHBondContact O-CB 3.43Å; D453-N456 PolarHBondContact O-N 3.32Å; D453-N456 VanDerWaalsContact O-N 3.17Å; I454-N456 VanDerWaalsContact C-N 3.27Å; I454-N456 PolarHBondContact O-N 2.62Å; N456-R459 PolarHBondContact O-N 3.43Å; N456-D460 WeakPolarHBondContact O-CB 3.35Å; N456-D460 PolarHBondContact O-N 2.96Å; N456-V502 HydrophobicContact CB-CG1 4.14Å
457V97Very high94.3Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-60.8-48.6172.8171.90000110.7L446 Y449 D453 I454 R459 D460 A461 F495 A498 V499 V502L446-V457 HydrophobicContact CD2-CG1 4.37Å; L446-V457 HydrophobicContact CD2-CG2 3.94Å; Y449-V457 HydrophobicContact CD1-CG2 4.26Å; Y449-V457 HydrophobicContact CE1-CG2 3.99Å; D453-V457 WeakPolarHBondContact O-CG2 3.32Å; D453-V457 PolarHBondContact O-N 3.47Å; I454-V457 PolarHBondContact O-N 3.49Å; V457-R459 VanDerWaalsContact C-N 3.3Å; V457-R459 PolarHBondContact O-N 2.9Å; V457-D460 PolarHBondContact O-N 3.31Å; V457-A461 WeakPolarHBondContact O-CB 3.49Å; V457-A461 PolarHBondContact O-N 3.33Å; V457-F495 HydrophobicContact CG1-CD1 4.46Å; V457-A498 HydrophobicContact CG1-CB 4.18Å; V457-V499 HydrophobicContact CG1-CG2 3.91Å; V457-V502 HydrophobicContact CG2-CB 3.73Å; V457-V502 HydrophobicContact CG2-CG1 3.86Å; V457-V502 HydrophobicContact CG2-CG2 4.14Å
458C96.2Very high94Very high4 Ų437.7 Ų37.73%0.02719%0.19CC..Hα-helixtrans-60.8-39.8177-67.60000112.4L424 N427 L428 I454 T455 S462L424-C458 VanDerWaalsContact CD2-SG 3.58Å; N427-C458 HydrophobicContact CB-CB 3.97Å; L428-C458 HydrophobicContact CD2-CB 3.82Å; L428-C458 HydrophobicContact CG-CB 4.38Å; I454-C458 PolarHBondContact O-N 2.83Å; I454-C458 PolarHBondContact O-SG 3.33Å; T455-C458 PolarHBondContact O-N 3.35Å; C458-S462 WeakPolarHBondContact O-CB 3.49Å; C458-S462 PolarHBondContact O-N 3.1Å; C458-S462 PolarHBondContact O-OG 3.39Å
459R95.3Very high93.6Very high168 Ų16838.4 Ų38.463%0.63419%0.194SC*.Hα-helixtrans-65.8-44.9176.8-172.8179.7-177.3177.92.4111.4T455 N456 V457 S462 M463T455-R459 WeakPolarHBondContact O-CB 3.4Å; T455-R459 PolarHBondContact O-N 2.69Å; N456-R459 PolarHBondContact O-N 3.43Å; V457-R459 VanDerWaalsContact C-N 3.3Å; V457-R459 PolarHBondContact O-N 2.9Å; R459-S462 PolarHBondContact O-N 3.26Å; R459-S462 PolarHBondContact O-OG 2.97Å; R459-M463 WeakPolarHBondContact O-CG 3.4Å; R459-M463 PolarHBondContact O-N 2.86Å
460D95.4Very high93.2Very high24 Ų2439.6 Ų39.613%0.12820%0.202CC..Hα-helixtrans-65.4-44.5179.7-164.161.7000111.3N456 V457 M463 M464 R467 A498 V502N456-D460 WeakPolarHBondContact O-CB 3.35Å; N456-D460 PolarHBondContact O-N 2.96Å; V457-D460 PolarHBondContact O-N 3.31Å; D460-M463 PolarHBondContact O-N 3.18Å; D460-M464 WeakPolarHBondContact O-CG 3.38Å; D460-M464 PolarHBondContact O-N 3.13Å; D460-M464 VanDerWaalsContact OD2-CE 3.29Å; D460-M464 WeakPolarHBondContact OD2-CE 3.35Å; D460-R467 VanDerWaalsContact CG-NH1 3.33Å; D460-R467 IonicContact OD1-CZ 3.35Å; D460-R467 IonicContact OD1-NH1 2.94Å; D460-R467 PolarHBondContact OD1-NH1 2.97Å; D460-R467 IonicContact OD1-NH2 3.07Å; D460-R467 PolarHBondContact OD1-NH2 3.1Å; D460-R467 IonicContact OD2-NH1 3.58Å; D460-R467 PolarHBondContact OD2-NH1 3.16Å; D460-A498 HydrophobicContact CB-CB 3.99Å; D460-V502 HydrophobicContact CB-CG2 4.28Å
461A95.7Very high92.9Very high0 Ų047.1 Ų47.10%024%0.237CC..Hα-helixtrans-60.5-46.6176.500000112V457 M463 M464 T490 D494 F495 A498V457-A461 WeakPolarHBondContact O-CB 3.49Å; V457-A461 PolarHBondContact O-N 3.33Å; A461-M463 PolarHBondContact O-N 3.5Å; A461-M464 WeakPolarHBondContact O-CB 3.37Å; A461-M464 WeakPolarHBondContact O-CG 3.37Å; A461-M464 PolarHBondContact O-N 3.13Å; A461-T490 HydrophobicContact CB-CG2 4.06Å; A461-T490 WeakPolarHBondContact O-CG2 3.32Å; A461-D494 HydrophobicContact CB-CB 4.43Å; A461-F495 HydrophobicContact CB-CD1 3.58Å; A461-F495 HydrophobicContact CB-CD2 4.4Å; A461-F495 HydrophobicContact CB-CE1 3.65Å; A461-F495 HydrophobicContact CB-CE2 4.46Å; A461-F495 HydrophobicContact CB-CG 3.97Å; A461-F495 HydrophobicContact CB-CZ 4.1Å; A461-A498 HydrophobicContact CB-CB 4Å
462S93.3Very high92.6Very high36 Ų3650.5 Ų50.525%0.25227%0.271SS..Hα-helixtrans-66.5-22-179.762.80000113.7C458 R459 S465C458-S462 WeakPolarHBondContact O-CB 3.49Å; C458-S462 PolarHBondContact O-N 3.1Å; C458-S462 PolarHBondContact O-OG 3.39Å; R459-S462 PolarHBondContact O-N 3.26Å; R459-S462 PolarHBondContact O-OG 2.97Å; S462-S465 PolarHBondContact O-OG 3.3Å
463M92.8Very high92.4Very high70 Ų7051.5 Ų51.535%0.34527%0.27SS..Hα-helixtrans-81.6-13.2173.9-70-174.67800113.6R459 D460 A461 S465 M466 R467R459-M463 WeakPolarHBondContact O-CG 3.4Å; R459-M463 PolarHBondContact O-N 2.86Å; D460-M463 PolarHBondContact O-N 3.18Å; A461-M463 PolarHBondContact O-N 3.5Å; M463-S465 PolarHBondContact O-N 3.05Å; M463-M466 HydrophobicContact CE-CE 3.72Å; M463-M466 PolarHBondContact O-N 3.43Å; M463-R467 VanDerWaalsContact O-CG 3.32Å; M463-R467 WeakPolarHBondContact O-CG 3.4Å; M463-R467 PolarHBondContact O-N 3.3Å
464M91.1Very high92Very high5 Ų553.4 Ų53.43%0.02529%0.285CS..Hα-helixtrans-65.2-37.3-175.5-66.6-62.1-165.700113.2D460 A461 M466 R467 R468 D494 E497 A498D460-M464 WeakPolarHBondContact O-CG 3.38Å; D460-M464 PolarHBondContact O-N 3.13Å; D460-M464 VanDerWaalsContact OD2-CE 3.29Å; D460-M464 WeakPolarHBondContact OD2-CE 3.35Å; A461-M464 WeakPolarHBondContact O-CB 3.37Å; A461-M464 WeakPolarHBondContact O-CG 3.37Å; A461-M464 PolarHBondContact O-N 3.13Å; M464-M466 PolarHBondContact O-N 3.41Å; M464-R467 PolarHBondContact O-N 2.91Å; M464-R467 PolarHBondContact SD-NH1 3.03Å; M464-R468 WeakPolarHBondContact O-CG 3.29Å; M464-R468 PolarHBondContact O-N 3.34Å; M464-D494 HydrophobicContact CB-CB 3.87Å; M464-D494 HydrophobicContact CG-CB 3.89Å; M464-E497 HydrophobicContact CE-CB 3.91Å; M464-E497 HydrophobicContact CE-CG 3.62Å; M464-E497 WeakPolarHBondContact CE-OE1 3.26Å; M464-A498 HydrophobicContact CE-CB 4.47Å
465S86.4Confident91.6Very high8 Ų858.4 Ų58.46%0.05632%0.315CS..Hα-helixtrans-58.8-48175.854.30000111.5S462 M463 R468 A469 L486S462-S465 PolarHBondContact O-OG 3.3Å; M463-S465 PolarHBondContact O-N 3.05Å; S465-R468 PolarHBondContact O-N 3.4Å; S465-A469 WeakPolarHBondContact O-CB 3.49Å; S465-A469 PolarHBondContact O-N 3.23Å; S465-A469 VanDerWaalsContact O-N 3.08Å; S465-L486 PolarHBondContact OG-O 3.18Å
466M89.8Confident91.3Very high61 Ų6163.5 Ų63.530%0.334%0.335SS..Hα-helixtrans-62.2-47.1174.2-177.2-157.769.300111.1M463 M464 R468 A469 I470 L486M463-M466 HydrophobicContact CE-CE 3.72Å; M463-M466 PolarHBondContact O-N 3.43Å; M464-M466 PolarHBondContact O-N 3.41Å; M466-R468 VanDerWaalsContact C-N 3.32Å; M466-R468 PolarHBondContact O-N 2.97Å; M466-A469 PolarHBondContact O-N 3.44Å; M466-I470 HydrophobicContact CE-CD1 4.39Å; M466-I470 HydrophobicContact CG-CG2 4.45Å; M466-I470 WeakPolarHBondContact O-CG1 3.48Å; M466-I470 PolarHBondContact O-N 2.99Å; M466-L486 HydrophobicContact CG-CD2 4.18Å
467R91Very high90.8Very high79 Ų7964.9 Ų64.930%0.29834%0.339SS..Hα-helixtrans-56-44.4179.5-74.5172.1-173.4160.8-0111.9D460 M463 M464 I470 E471D460-R467 VanDerWaalsContact CG-NH1 3.33Å; D460-R467 IonicContact OD1-CZ 3.35Å; D460-R467 IonicContact OD1-NH1 2.94Å; D460-R467 PolarHBondContact OD1-NH1 2.97Å; D460-R467 IonicContact OD1-NH2 3.07Å; D460-R467 PolarHBondContact OD1-NH2 3.1Å; D460-R467 IonicContact OD2-NH1 3.58Å; D460-R467 PolarHBondContact OD2-NH1 3.16Å; M463-R467 VanDerWaalsContact O-CG 3.32Å; M463-R467 WeakPolarHBondContact O-CG 3.4Å; M463-R467 PolarHBondContact O-N 3.3Å; M464-R467 PolarHBondContact O-N 2.91Å; M464-R467 PolarHBondContact SD-NH1 3.03Å; R467-I470 WeakPolarHBondContact O-CG1 3.43Å; R467-E471 PolarHBondContact O-N 3.42Å
468R88.6Confident90.4Very high98 Ų9867.7 Ų67.737%0.3735%0.354SS..Hα-helixtrans-64.3-40.4174.2-73.2-172.1-68.6-89.47112.9M464 S465 M466 I470 E471 D494M464-R468 WeakPolarHBondContact O-CG 3.29Å; M464-R468 PolarHBondContact O-N 3.34Å; S465-R468 PolarHBondContact O-N 3.4Å; M466-R468 VanDerWaalsContact C-N 3.32Å; M466-R468 PolarHBondContact O-N 2.97Å; R468-I470 VanDerWaalsContact C-N 3.31Å; R468-I470 PolarHBondContact O-N 3.09Å; R468-E471 PolarHBondContact O-N 2.94Å; R468-D494 IonicContact CZ-OD1 3.28Å; R468-D494 VanDerWaalsContact CZ-OD1 3.28Å; R468-D494 IonicContact CZ-OD2 3.76Å; R468-D494 IonicContact NH1-OD1 2.62Å; R468-D494 PolarHBondContact NH1-OD1 3.1Å; R468-D494 IonicContact NH1-OD2 3.75Å; R468-D494 IonicContact NH2-OD1 3.11Å; R468-D494 PolarHBondContact NH2-OD1 3.34Å; R468-D494 VanDerWaalsContact NH2-OD1 3.11Å; R468-D494 IonicContact NH2-OD2 2.84Å; R468-D494 PolarHBondContact NH2-OD2 2.96Å
469A85.9Confident89.9Confident31 Ų3175.9 Ų75.926%0.25639%0.389SS..Hα-helixtrans-69-29.5-177.400000113.1S465 M466 L473 L486S465-A469 WeakPolarHBondContact O-CB 3.49Å; S465-A469 PolarHBondContact O-N 3.23Å; S465-A469 VanDerWaalsContact O-N 3.08Å; M466-A469 PolarHBondContact O-N 3.44Å; A469-L473 VanDerWaalsContact O-CD1 3.26Å; A469-L473 WeakPolarHBondContact O-CD1 3.49Å; A469-L486 HydrophobicContact CB-CD2 3.87Å
470I89Confident89.4Confident48 Ų4871 Ų7125%0.24639%0.391CS..Hα-helixtrans-95.1-7.3179.670.7178.1000113.6M466 R467 R468 G472 L473 I478 L481 L486M466-I470 HydrophobicContact CE-CD1 4.39Å; M466-I470 HydrophobicContact CG-CG2 4.45Å; M466-I470 WeakPolarHBondContact O-CG1 3.48Å; M466-I470 PolarHBondContact O-N 2.99Å; R467-I470 WeakPolarHBondContact O-CG1 3.43Å; R468-I470 VanDerWaalsContact C-N 3.31Å; R468-I470 PolarHBondContact O-N 3.09Å; I470-G472 PolarHBondContact O-N 3.42Å; I470-L473 PolarHBondContact O-N 3.41Å; I470-I478 HydrophobicContact CB-CD1 4Å; I470-I478 HydrophobicContact CB-CG1 4.06Å; I470-I478 HydrophobicContact CG2-CD1 4.33Å; I470-I478 HydrophobicContact CG2-CG1 4.04Å; I470-I478 HydrophobicContact CG2-CG2 4.16Å; I470-L481 HydrophobicContact CG2-CD1 3.99Å; I470-L486 HydrophobicContact CG2-CD2 4.18Å
471E88.7Confident88.8Confident159 Ų15972.3 Ų72.374%0.74340%0.398SS*.THydrogen-bonded Turntrans-60119.5-177-168.1171.6-168.200110.6R467 R468 L473R467-E471 PolarHBondContact O-N 3.42Å; R468-E471 PolarHBondContact O-N 2.94Å; E471-L473 VanDerWaalsContact C-N 3.34Å; E471-L473 PolarHBondContact O-N 2.96Å
472G89.1Confident88.3Confident83 Ų8377.3 Ų77.386%0.85642%0.424SS*.THydrogen-bonded Turntrans80.82-178.300000116I470I470-G472 PolarHBondContact O-N 3.42Å
473L89Confident87.8Confident63 Ų6380.6 Ų80.633%0.3344%0.443SS..  trans-90.2146.6177.1-63.1-176.7000112.6A469 I470 E471 Q477 I478 L481A469-L473 VanDerWaalsContact O-CD1 3.26Å; A469-L473 WeakPolarHBondContact O-CD1 3.49Å; I470-L473 PolarHBondContact O-N 3.41Å; E471-L473 VanDerWaalsContact C-N 3.34Å; E471-L473 PolarHBondContact O-N 2.96Å; L473-Q477 HydrophobicContact CB-CB 4.07Å; L473-Q477 HydrophobicContact CD2-CB 4.26Å; L473-I478 HydrophobicContact CB-CG1 3.9Å; L473-L481 HydrophobicContact CD1-CD1 3.85Å; L473-L481 HydrophobicContact CD1-CD2 4.15Å; L473-L481 HydrophobicContact CD1-CG 4.37Å
474S88.7Confident87.2Confident54 Ų5480.2 Ų80.238%0.37845%0.451SS..  trans-75159.7170.9810000111.5E476 Q477 I478S474-E476 PolarHBondContact O-N 3.06Å; S474-E476 VanDerWaalsContact O-N 3.16Å; S474-E476 PolarHBondContact OG-N 2.94Å; S474-Q477 WeakPolarHBondContact O-CB 3.27Å; S474-Q477 PolarHBondContact O-N 3.46Å; S474-Q477 WeakPolarHBondContact OG-CG 3.32Å; S474-Q477 PolarHBondContact OG-N 3.3Å; S474-I478 WeakPolarHBondContact O-CG1 3.46Å; S474-I478 PolarHBondContact O-N 3.38Å
475V89.6Confident86.5Confident104 Ų10483.2 Ų83.263%0.6347%0.47SS*.Hα-helixtrans-56-34.1176.5179.70000111.9K479V475-K479 WeakPolarHBondContact O-CG 3.35Å; V475-K479 PolarHBondContact O-N 2.92Å; V475-K479 VanDerWaalsContact O-N 3.15Å
476E88.6Confident86.2Confident163 Ų16384.9 Ų84.976%0.76248%0.478SS*.Hα-helixtrans-69.2-40.3176.4-64.1-174.5170.500112.2S474 K479 G480S474-E476 PolarHBondContact O-N 3.06Å; S474-E476 VanDerWaalsContact O-N 3.16Å; S474-E476 PolarHBondContact OG-N 2.94Å; E476-K479 PolarHBondContact O-N 3.02Å; E476-G480 PolarHBondContact O-N 2.94Å
477Q85.8Confident86Confident105 Ų10586.7 Ų86.749%0.49149%0.489SS..Hα-helixtrans-66.5-41.3175.6-69.8171.8-44.300111.3L473 S474 K479 G480 L481L473-Q477 HydrophobicContact CB-CB 4.07Å; L473-Q477 HydrophobicContact CD2-CB 4.26Å; S474-Q477 WeakPolarHBondContact O-CB 3.27Å; S474-Q477 PolarHBondContact O-N 3.46Å; S474-Q477 WeakPolarHBondContact OG-CG 3.32Å; S474-Q477 PolarHBondContact OG-N 3.3Å; Q477-K479 VanDerWaalsContact C-N 3.32Å; Q477-K479 PolarHBondContact O-N 3.18Å; Q477-G480 PolarHBondContact O-N 3.06Å; Q477-L481 PolarHBondContact O-N 3.08Å
478I87.5Confident85.7Confident59 Ų5987.7 Ų87.730%0.30350%0.497SS..Hα-helixtrans-60.8-41.2177.9-65.1167.1000110.9I470 L473 S474 G480 L481I470-I478 HydrophobicContact CB-CD1 4Å; I470-I478 HydrophobicContact CB-CG1 4.06Å; I470-I478 HydrophobicContact CG2-CD1 4.33Å; I470-I478 HydrophobicContact CG2-CG1 4.04Å; I470-I478 HydrophobicContact CG2-CG2 4.16Å; L473-I478 HydrophobicContact CB-CG1 3.9Å; S474-I478 WeakPolarHBondContact O-CG1 3.46Å; S474-I478 PolarHBondContact O-N 3.38Å; I478-G480 PolarHBondContact O-N 3.36Å; I478-L481 WeakPolarHBondContact O-CB 3.34Å; I478-L481 PolarHBondContact O-N 3.5Å; I478-L481 VanDerWaalsContact O-N 3.1Å
479K87.5Confident85.9Confident175 Ų17585.6 Ų85.676%0.76150%0.496SS*.Hα-helixtrans-61.3-24.7175.9-75.3175.2-179.6179.80113.6V475 E476 Q477V475-K479 WeakPolarHBondContact O-CG 3.35Å; V475-K479 PolarHBondContact O-N 2.92Å; V475-K479 VanDerWaalsContact O-N 3.15Å; E476-K479 PolarHBondContact O-N 3.02Å; Q477-K479 VanDerWaalsContact C-N 3.32Å; Q477-K479 PolarHBondContact O-N 3.18Å
480G84.5Confident86.3Confident67 Ų6784.1 Ų84.169%0.69148%0.484SS*.THydrogen-bonded Turntrans-87.3-6.5177.400000114.6E476 Q477 I478E476-G480 PolarHBondContact O-N 2.94Å; Q477-G480 PolarHBondContact O-N 3.06Å; I478-G480 PolarHBondContact O-N 3.36Å
481L83.2Confident86.6Confident50 Ų5088.8 Ų88.826%0.26250%0.499SS..  trans-72.1136-178.9-65.8175.5000111.1I470 L473 Q477 I478 L486I470-L481 HydrophobicContact CG2-CD1 3.99Å; L473-L481 HydrophobicContact CD1-CD1 3.85Å; L473-L481 HydrophobicContact CD1-CD2 4.15Å; L473-L481 HydrophobicContact CD1-CG 4.37Å; Q477-L481 PolarHBondContact O-N 3.08Å; I478-L481 WeakPolarHBondContact O-CB 3.34Å; I478-L481 PolarHBondContact O-N 3.5Å; I478-L481 VanDerWaalsContact O-N 3.1Å; L481-L486 HydrophobicContact CB-CD2 4.4Å; L481-L486 HydrophobicContact CB-CG 4.43Å; L481-L486 HydrophobicContact CD1-CD2 3.79Å
482N84.3Confident86.9Confident105 Ų10581.9 Ų81.956%0.56147%0.466SS*.  trans-73.1137.6171.4-173.6-7.2000109.7A484 T485 L486N482-A484 PolarHBondContact O-N 3.36Å; N482-A484 VanDerWaalsContact O-N 3.12Å; N482-A484 PolarHBondContact OD1-N 3.2Å; N482-T485 WeakPolarHBondContact O-CA 3.41Å; N482-T485 WeakPolarHBondContact O-CB 3.47Å; N482-T485 PolarHBondContact O-N 3.18Å; N482-L486 PolarHBondContact O-N 3.38Å
483T83.4Confident87.2Confident105 Ų10580.6 Ų80.664%0.64445%0.447SS*.Hα-helixtrans-51.3-34.6173.4-480000112.3T485 L486 N487T483-T485 VanDerWaalsContact C-N 3.29Å; T483-T485 PolarHBondContact O-N 3.47Å; T483-L486 PolarHBondContact O-N 2.96Å; T483-N487 WeakPolarHBondContact O-CB 3.45Å; T483-N487 PolarHBondContact O-N 3.34Å
484A79.9Confident87.6Confident62 Ų6277.8 Ų77.851%0.51243%0.433SS..Hα-helixtrans-63.4-32.817600000113.3N482 L486 Q488N482-A484 PolarHBondContact O-N 3.36Å; N482-A484 VanDerWaalsContact O-N 3.12Å; N482-A484 PolarHBondContact OD1-N 3.2Å; A484-L486 VanDerWaalsContact C-N 3.34Å; A484-Q488 PolarHBondContact O-NE2 3.26Å
485T77.1Confident87.9Confident69 Ų6975.2 Ų75.242%0.42342%0.415SS..Hα-helixtrans-71.4-34.2175.9-51.60000111N482 T483 Q488N482-T485 WeakPolarHBondContact O-CA 3.41Å; N482-T485 WeakPolarHBondContact O-CB 3.47Å; N482-T485 PolarHBondContact O-N 3.18Å; T483-T485 VanDerWaalsContact C-N 3.29Å; T483-T485 PolarHBondContact O-N 3.47Å; T485-Q488 WeakPolarHBondContact O-CG 3.38Å
486L79.8Confident88.2Confident42 Ų4274.1 Ų74.122%0.2240%0.403CS..Hα-helixtrans-77-33179.1-61178.9000112.3S465 M466 A469 I470 L481 N482 T483 A484 Q488S465-L486 PolarHBondContact OG-O 3.18Å; M466-L486 HydrophobicContact CG-CD2 4.18Å; A469-L486 HydrophobicContact CB-CD2 3.87Å; I470-L486 HydrophobicContact CG2-CD2 4.18Å; L481-L486 HydrophobicContact CB-CD2 4.4Å; L481-L486 HydrophobicContact CB-CG 4.43Å; L481-L486 HydrophobicContact CD1-CD2 3.79Å; N482-L486 PolarHBondContact O-N 3.38Å; T483-L486 PolarHBondContact O-N 2.96Å; A484-L486 VanDerWaalsContact C-N 3.34Å; L486-Q488 VanDerWaalsContact C-N 3.26Å; L486-Q488 PolarHBondContact O-N 3.09Å; L486-Q488 VanDerWaalsContact O-N 3.1Å
487N83.9Confident88.5Confident100 Ų10070 Ų7054%0.53538%0.384SS..  trans-88.151.1-176-161.425.1000112.9T483T483-N487 WeakPolarHBondContact O-CB 3.45Å; T483-N487 PolarHBondContact O-N 3.34Å
488Q86.4Confident89Confident100 Ų10065 Ų6547%0.46736%0.361SS..PPolyproline II helixtrans-73.5149.2173-64.2-63.1-41.100110.9A484 T485 L486 T490A484-Q488 PolarHBondContact O-NE2 3.26Å; T485-Q488 WeakPolarHBondContact O-CG 3.38Å; L486-Q488 VanDerWaalsContact C-N 3.26Å; L486-Q488 PolarHBondContact O-N 3.09Å; L486-Q488 VanDerWaalsContact O-N 3.1Å; Q488-T490 PolarHBondContact O-N 2.91Å
489P92.7Very high89.3Confident53 Ų5363.5 Ų63.534%0.34435%0.354SS..PPolyproline II helixtrans-55.5133.4175.6-24.433.6000112.4P432 A434P432-P489 HydrophobicContact CB-CB 4.47Å; P432-P489 CarbonylContact O-C 3.54Å; P432-P489 VanDerWaalsContact O-CA 3.28Å; P432-P489 WeakPolarHBondContact O-CA 3.5Å; A434-P489 HydrophobicContact CB-CB 4.11Å
490T94.1Very high89.6Confident1 Ų158.4 Ų58.41%0.00635%0.351CS..BIsolated β-bridgetrans-72.4128.4177.3-53.30000109.1V431 P432 A434 V437 A461 Q488 D494 F495V431-T490 WeakPolarHBondContact CG1-OG1 3.47Å; P432-T490 PolarHBondContact O-N 3.44Å; A434-T490 WeakPolarHBondContact CB-O 3.39Å; A434-T490 PolarHBondContact N-O 3.46Å; V437-T490 VanDerWaalsContact CG2-O 3.31Å; V437-T490 WeakPolarHBondContact CG2-O 3.5Å; A461-T490 HydrophobicContact CB-CG2 4.06Å; A461-T490 WeakPolarHBondContact O-CG2 3.32Å; Q488-T490 PolarHBondContact O-N 2.91Å; T490-D494 HydrophobicContact CG2-CB 3.8Å; T490-F495 HydrophobicContact CG2-CD2 4.19Å; T490-F495 HydrophobicContact CG2-CE2 3.63Å; T490-F495 HydrophobicContact CG2-CZ 4.07Å
491R95Very high90Very high146 Ų14661.9 Ų61.955%0.55134%0.343SS*.PPolyproline II helixtrans-95.9164.3-174.8-61.6179.6-179.5175.9-1.3111.9A434 A493 D494 F495A434-R491 HydrophobicContact CB-CG 4.15Å; R491-A493 VanDerWaalsContact C-N 3.26Å; R491-A493 PolarHBondContact O-N 3.39Å; R491-D494 PolarHBondContact N-OD2 3.48Å; R491-D494 VanDerWaalsContact O-CB 3.3Å; R491-D494 WeakPolarHBondContact O-CB 3.47Å; R491-D494 PolarHBondContact O-N 2.84Å; R491-F495 WeakPolarHBondContact O-CD2 3.36Å
492M95.8Very high90.5Very high13 Ų1360.7 Ų60.76%0.06434%0.338CS..Hα-helixtrans-59.1-38.5175.9-174.164-170.600112.3D436 R441 I442 D494 F495 E496D436-M492 HydrophobicContact CB-CB 4.49Å; D436-M492 WeakPolarHBondContact OD2-CB 3.44Å; D436-M492 PolarHBondContact OD2-N 3.27Å; D436-M492 VanDerWaalsContact OD2-N 3.1Å; R441-M492 HydrophobicContact CB-CE 4.43Å; R441-M492 HydrophobicContact CG-CE 4.17Å; I442-M492 HydrophobicContact CD1-CE 4.38Å; I442-M492 HydrophobicContact CD1-SD 3.89Å; I442-M492 HydrophobicContact CG1-CE 3.74Å; I442-M492 HydrophobicContact CG1-SD 3.93Å; M492-D494 PolarHBondContact O-N 3.49Å; M492-F495 WeakPolarHBondContact O-CB 3.35Å; M492-F495 PolarHBondContact O-N 2.91Å; M492-F495 VanDerWaalsContact O-N 3.12Å; M492-E496 HydrophobicContact CE-CG 4.31Å; M492-E496 PolarHBondContact O-N 3.37Å
493A95.2Very high90.8Very high56 Ų5660.6 Ų60.646%0.46335%0.345SS..Hα-helixtrans-59.7-30.4176.700000113.2R491 F495 E496 E497R491-A493 VanDerWaalsContact C-N 3.26Å; R491-A493 PolarHBondContact O-N 3.39Å; A493-F495 VanDerWaalsContact C-N 3.34Å; A493-E496 PolarHBondContact O-N 3.26Å; A493-E497 PolarHBondContact O-N 2.95Å
494D95.8Very high91.4Very high4 Ų462.3 Ų62.32%0.02134%0.34CS..Hα-helixtrans-68.8-37.6178.8-58.2-21.9000110.7A461 M464 R468 T490 R491 M492 A498A461-D494 HydrophobicContact CB-CB 4.43Å; M464-D494 HydrophobicContact CB-CB 3.87Å; M464-D494 HydrophobicContact CG-CB 3.89Å; R468-D494 IonicContact CZ-OD1 3.28Å; R468-D494 VanDerWaalsContact CZ-OD1 3.28Å; R468-D494 IonicContact CZ-OD2 3.76Å; R468-D494 IonicContact NH1-OD1 2.62Å; R468-D494 PolarHBondContact NH1-OD1 3.1Å; R468-D494 IonicContact NH1-OD2 3.75Å; R468-D494 IonicContact NH2-OD1 3.11Å; R468-D494 PolarHBondContact NH2-OD1 3.34Å; R468-D494 VanDerWaalsContact NH2-OD1 3.11Å; R468-D494 IonicContact NH2-OD2 2.84Å; R468-D494 PolarHBondContact NH2-OD2 2.96Å; T490-D494 HydrophobicContact CG2-CB 3.8Å; R491-D494 PolarHBondContact N-OD2 3.48Å; R491-D494 VanDerWaalsContact O-CB 3.3Å; R491-D494 WeakPolarHBondContact O-CB 3.47Å; R491-D494 PolarHBondContact O-N 2.84Å; M492-D494 PolarHBondContact O-N 3.49Å; D494-A498 VanDerWaalsContact O-CB 3.25Å; D494-A498 WeakPolarHBondContact O-CB 3.26Å; D494-A498 PolarHBondContact O-N 3.41Å
495F96.3Very high92Very high0 Ų062.5 Ų62.50%034%0.337CS..Hα-helixtrans-70.1-42.4173.7-72.3-79.7000111.8L428 L433 V437 I442 V457 A461 T490 R491 M492 A493 E497 A498 V499L428-F495 HydrophobicContact CD1-CE1 3.92Å; L428-F495 HydrophobicContact CD1-CZ 3.58Å; L428-F495 HydrophobicContact CD2-CE1 4.13Å; L428-F495 HydrophobicContact CD2-CZ 3.8Å; L428-F495 HydrophobicContact CG-CZ 4.35Å; L433-F495 HydrophobicContact CD2-CE2 4.13Å; L433-F495 HydrophobicContact CD2-CZ 4.11Å; V437-F495 HydrophobicContact CG1-CD2 4.22Å; V437-F495 HydrophobicContact CG1-CE2 3.9Å; V437-F495 HydrophobicContact CG2-CD2 4.45Å; V437-F495 HydrophobicContact CG2-CE2 4.21Å; I442-F495 HydrophobicContact CD1-CB 3.79Å; I442-F495 HydrophobicContact CD1-CD1 3.93Å; I442-F495 HydrophobicContact CD1-CD2 3.81Å; I442-F495 HydrophobicContact CD1-CE1 4.47Å; I442-F495 HydrophobicContact CD1-CE2 4.37Å; I442-F495 HydrophobicContact CD1-CG 3.57Å; I442-F495 HydrophobicContact CG1-CB 4.22Å; I442-F495 HydrophobicContact CG1-CG 4.47Å; V457-F495 HydrophobicContact CG1-CD1 4.46Å; A461-F495 HydrophobicContact CB-CD1 3.58Å; A461-F495 HydrophobicContact CB-CD2 4.4Å; A461-F495 HydrophobicContact CB-CE1 3.65Å; A461-F495 HydrophobicContact CB-CE2 4.46Å; A461-F495 HydrophobicContact CB-CG 3.97Å; A461-F495 HydrophobicContact CB-CZ 4.1Å; T490-F495 HydrophobicContact CG2-CD2 4.19Å; T490-F495 HydrophobicContact CG2-CE2 3.63Å; T490-F495 HydrophobicContact CG2-CZ 4.07Å; R491-F495 WeakPolarHBondContact O-CD2 3.36Å; M492-F495 WeakPolarHBondContact O-CB 3.35Å; M492-F495 PolarHBondContact O-N 2.91Å; M492-F495 VanDerWaalsContact O-N 3.12Å; A493-F495 VanDerWaalsContact C-N 3.34Å; F495-E497 VanDerWaalsContact C-N 3.31Å; F495-E497 PolarHBondContact O-N 2.96Å; F495-A498 PolarHBondContact O-N 3.33Å; F495-V499 WeakPolarHBondContact O-CB 3.38Å; F495-V499 WeakPolarHBondContact O-CG2 3.37Å; F495-V499 PolarHBondContact O-N 3.42Å
496E95.3Very high92.7Very high81 Ų8159.5 Ų59.538%0.37932%0.319SS..Hα-helixtrans-60.5-41.3177.1-68.8-178.4159.700111.5R441 M492 A493 G500R441-E496 IonicContact CZ-OE1 3.41Å; R441-E496 IonicContact NH1-OE1 2.75Å; R441-E496 IonicContact NH2-OE1 3.19Å; R441-E496 PolarHBondContact NH2-OE1 2.84Å; M492-E496 HydrophobicContact CE-CG 4.31Å; M492-E496 PolarHBondContact O-N 3.37Å; A493-E496 PolarHBondContact O-N 3.26Å; E496-G500 PolarHBondContact O-N 3.02Å
497E94.9Very high93.4Very high78 Ų7859.5 Ų59.536%0.36432%0.322SS..Hα-helixtrans-67.1-42.9174.3-173.5-179.3151.300112.1M464 A493 F495 G500 R501M464-E497 HydrophobicContact CE-CB 3.91Å; M464-E497 HydrophobicContact CE-CG 3.62Å; M464-E497 WeakPolarHBondContact CE-OE1 3.26Å; A493-E497 PolarHBondContact O-N 2.95Å; F495-E497 VanDerWaalsContact C-N 3.31Å; F495-E497 PolarHBondContact O-N 2.96Å; E497-G500 PolarHBondContact O-N 3.06Å; E497-R501 PolarHBondContact O-N 3.07Å; E497-R501 VanDerWaalsContact O-N 3.15Å; E497-R501 IonicContact OE1-CZ 3.38Å; E497-R501 IonicContact OE1-NE 2.82Å; E497-R501 IonicContact OE1-NH1 2.81Å; E497-R501 PolarHBondContact OE1-NH1 3.4Å; E497-R501 IonicContact OE1-NH2 2.98Å; E497-R501 PolarHBondContact OE1-NH2 2.81Å
498A95.8Very high93.8Very high0 Ų058.3 Ų58.30%033%0.326CS..Hα-helixtrans-63.2-42.6177.900000112.4V457 D460 A461 M464 D494 F495 G500 R501 V502V457-A498 HydrophobicContact CG1-CB 4.18Å; D460-A498 HydrophobicContact CB-CB 3.99Å; A461-A498 HydrophobicContact CB-CB 4Å; M464-A498 HydrophobicContact CE-CB 4.47Å; D494-A498 VanDerWaalsContact O-CB 3.25Å; D494-A498 WeakPolarHBondContact O-CB 3.26Å; D494-A498 PolarHBondContact O-N 3.41Å; F495-A498 PolarHBondContact O-N 3.33Å; A498-G500 VanDerWaalsContact C-N 3.27Å; A498-G500 PolarHBondContact O-N 3.42Å; A498-R501 PolarHBondContact O-N 3.49Å; A498-R501 VanDerWaalsContact O-N 3.09Å; A498-V502 WeakPolarHBondContact O-CG2 3.47Å; A498-V502 PolarHBondContact O-N 2.94Å
499V95.1Very high94.2Very high26 Ų2657.1 Ų57.116%0.15833%0.329CS..Hα-helixtrans-61.4-37.6175.1172.30000110.9L446 V457 F495 R501L446-V499 HydrophobicContact CD2-CG2 3.88Å; V457-V499 HydrophobicContact CG1-CG2 3.91Å; F495-V499 WeakPolarHBondContact O-CB 3.38Å; F495-V499 WeakPolarHBondContact O-CG2 3.37Å; F495-V499 PolarHBondContact O-N 3.42Å; V499-R501 VanDerWaalsContact C-N 3.29Å; V499-R501 PolarHBondContact O-N 3.15Å
500G93.3Very high94.1Very high69 Ų6957.7 Ų57.771%0.71133%0.329SS*.Hα-helixtrans-68-23.5174.800000114.6E496 E497 A498E496-G500 PolarHBondContact O-N 3.02Å; E497-G500 PolarHBondContact O-N 3.06Å; A498-G500 VanDerWaalsContact C-N 3.27Å; A498-G500 PolarHBondContact O-N 3.42Å
501R93Very high94.1Very high139 Ų13959 Ų5953%0.52534%0.337SS..Hα-helixtrans-94-41.3179.8-73.9-177.2172.5152.610.4113.5E497 A498 V499 C503E497-R501 PolarHBondContact O-N 3.07Å; E497-R501 VanDerWaalsContact O-N 3.15Å; E497-R501 IonicContact OE1-CZ 3.38Å; E497-R501 IonicContact OE1-NE 2.82Å; E497-R501 IonicContact OE1-NH1 2.81Å; E497-R501 PolarHBondContact OE1-NH1 3.4Å; E497-R501 IonicContact OE1-NH2 2.98Å; E497-R501 PolarHBondContact OE1-NH2 2.81Å; A498-R501 PolarHBondContact O-N 3.49Å; A498-R501 VanDerWaalsContact O-N 3.09Å; V499-R501 VanDerWaalsContact C-N 3.29Å; V499-R501 PolarHBondContact O-N 3.15Å; R501-C503 PolarHBondContact O-N 3.17Å
502V93.5Very high94.1Very high25 Ų2558.5 Ų58.515%0.15234%0.341CS..SBendtrans-86108.7-176.3-178.30000109Y449 N456 V457 D460 A498Y449-V502 HydrophobicContact CE1-CG1 4.37Å; Y449-V502 VanDerWaalsContact CE1-O 3.3Å; Y449-V502 WeakPolarHBondContact CE1-O 3.33Å; Y449-V502 PolarHBondContact OH-O 3.23Å; N456-V502 HydrophobicContact CB-CG1 4.14Å; V457-V502 HydrophobicContact CG2-CB 3.73Å; V457-V502 HydrophobicContact CG2-CG1 3.86Å; V457-V502 HydrophobicContact CG2-CG2 4.14Å; D460-V502 HydrophobicContact CB-CG2 4.28Å; A498-V502 WeakPolarHBondContact O-CG2 3.47Å; A498-V502 PolarHBondContact O-N 2.94Å
503C91.5Very high94.1Very high104 Ų10463.9 Ų63.970%0.70336%0.36SS*.  trans-79.1146176.2-65.40000111.2R501R501-C503 PolarHBondContact O-N 3.17Å
504R94.3Very high94.1Very high141 Ų14161.7 Ų61.753%0.53234%0.34SS..  trans-59.9137.5168.364.7-176.6179.6-173.9-0.2111Y449Y449-R504 HydrophobicContact CD2-CB 4.07Å; Y449-R504 HydrophobicContact CE2-CB 4.05Å; Y449-R504 HydrophobicContact CG-CB 4.45Å
505S92.9Very high93.9Very high65 Ų6566.5 Ų66.546%0.45536%0.363SS..SBendtrans-84.8-16.1179.255.80000113.8D453D453-S505 WeakPolarHBondContact OD1-CB 3.26Å; D453-S505 PolarHBondContact OD1-OG 3.46Å; D453-S505 VanDerWaalsContact OD1-OG 3.04Å; D453-S505 PolarHBondContact OD2-N 3.48Å; D453-S505 PolarHBondContact OD2-OG 3.03Å
506V93.1Very high93.9Very high7 Ų773.8 Ų73.84%0.04239%0.394CS..  trans-117.7127-173.6-172.90000110.5P282 P283 L414 N510 V511P282-V506 HydrophobicContact CB-CG1 4.02Å; P282-V506 HydrophobicContact CB-CG2 3.69Å; P282-V506 HydrophobicContact CG-CG1 4.22Å; P283-V506 HydrophobicContact CG-CG2 4.47Å; L414-V506 HydrophobicContact CD1-CB 4.34Å; L414-V506 HydrophobicContact CD1-CG1 4.23Å; L414-V506 HydrophobicContact CD2-CG2 4.27Å; V506-N510 HydrophobicContact CG1-CB 4.03Å; V506-V511 HydrophobicContact CG1-CG2 3.92Å
507S93.5Very high93.9Very high41 Ų4170.7 Ų70.729%0.28738%0.379SS..  trans-84.9157.4173.6680000111.8S509 N510 V511S507-S509 PolarHBondContact O-N 3.1Å; S507-S509 PolarHBondContact OG-OG 3.12Å; S507-N510 WeakPolarHBondContact O-CB 3.43Å; S507-N510 PolarHBondContact O-N 2.88Å; S507-N510 PolarHBondContact OG-N 3.17Å; S507-N510 PolarHBondContact OG-ND2 3.46Å; S507-N510 PolarHBondContact OG-OD1 3.21Å; S507-V511 PolarHBondContact O-N 3.42Å
508A92.7Very high93.7Very high75 Ų7568.4 Ų68.462%0.6237%0.369SS*.Hα-helixtrans-59-36.3174.500000112.6N510 V511 E512A508-N510 VanDerWaalsContact C-N 3.27Å; A508-N510 PolarHBondContact O-N 2.98Å; A508-V511 PolarHBondContact O-N 3.2Å; A508-E512 PolarHBondContact O-N 3.35Å
509S93.7Very high93.6Very high75 Ų7574.5 Ų74.552%0.52441%0.406SS..Hα-helixtrans-63.3-32.3175.863.20000112.9S507 R513S507-S509 PolarHBondContact O-N 3.1Å; S507-S509 PolarHBondContact OG-OG 3.12Å; S509-R513 PolarHBondContact O-N 3.46Å; S509-R513 VanDerWaalsContact O-N 3.15Å
510N92.1Very high93.5Very high65 Ų6579.5 Ų79.535%0.34843%0.428SS..Hα-helixtrans-69.9-41.4175.5-70.9-9.6000110.7V506 S507 A508 R513 Y514V506-N510 HydrophobicContact CG1-CB 4.03Å; S507-N510 WeakPolarHBondContact O-CB 3.43Å; S507-N510 PolarHBondContact O-N 2.88Å; S507-N510 PolarHBondContact OG-N 3.17Å; S507-N510 PolarHBondContact OG-ND2 3.46Å; S507-N510 PolarHBondContact OG-OD1 3.21Å; A508-N510 VanDerWaalsContact C-N 3.27Å; A508-N510 PolarHBondContact O-N 2.98Å; N510-R513 WeakPolarHBondContact O-CB 3.5Å; N510-R513 PolarHBondContact O-N 2.95Å; N510-Y514 WeakPolarHBondContact O-CD2 3.33Å; N510-Y514 PolarHBondContact O-N 2.83Å; N510-Y514 VanDerWaalsContact O-N 3.16Å
511V93.7Very high93.3Very high29 Ų2978.8 Ų78.818%0.17641%0.405CS..Hα-helixtrans-59.7-48.2175.9-178.40000110.9L414 V506 S507 A508 R513 Y514 E515L414-V511 HydrophobicContact CD1-CG2 3.76Å; V506-V511 HydrophobicContact CG1-CG2 3.92Å; S507-V511 PolarHBondContact O-N 3.42Å; A508-V511 PolarHBondContact O-N 3.2Å; V511-R513 VanDerWaalsContact C-N 3.25Å; V511-R513 PolarHBondContact O-N 3.37Å; V511-Y514 PolarHBondContact O-N 3.47Å; V511-E515 PolarHBondContact O-N 3.33Å
512E95Very high92.7Very high135 Ų13573.1 Ų73.163%0.63139%0.39SS*.Hα-helixtrans-57.9-38.4176.7-173.8-178.4-178.300112.1A508 Y514 E515 K516A508-E512 PolarHBondContact O-N 3.35Å; E512-Y514 VanDerWaalsContact C-N 3.35Å; E512-Y514 PolarHBondContact O-N 2.65Å; E512-E515 PolarHBondContact O-N 2.9Å; E512-K516 WeakPolarHBondContact O-CB 3.17Å; E512-K516 PolarHBondContact O-N 3.45Å
513R95.4Very high91.4Very high127 Ų12773.2 Ų73.248%0.47939%0.393SS..Hα-helixtrans-63-39.6176.5-168.3179.8176.7175.3-0.2112.2W396 S509 N510 V511 W517W396-R513 VanDerWaalsContact CD2-NE 3.27Å; W396-R513 VanDerWaalsContact CE2-NH2 3.28Å; W396-R513 HydrophobicContact CE3-CG 3.82Å; W396-R513 VanDerWaalsContact CG-NH2 3.29Å; W396-R513 HydrophobicContact CH2-CG 4.04Å; W396-R513 HydrophobicContact CZ3-CB 4.2Å; W396-R513 HydrophobicContact CZ3-CG 3.55Å; S509-R513 PolarHBondContact O-N 3.46Å; S509-R513 VanDerWaalsContact O-N 3.15Å; N510-R513 WeakPolarHBondContact O-CB 3.5Å; N510-R513 PolarHBondContact O-N 2.95Å; V511-R513 VanDerWaalsContact C-N 3.25Å; V511-R513 PolarHBondContact O-N 3.37Å; R513-W517 WeakPolarHBondContact O-CB 3.39Å; R513-W517 PolarHBondContact O-N 3.27Å; R513-W517 VanDerWaalsContact O-N 3.12Å
514Y94.7Very high89.6Confident9 Ų977 Ų774%0.03541%0.413CS..Hα-helixtrans-67.2-45174.6-68.8-69.5000112P282 N393 P395 W396 Y411 N510 V511 E512 K516 W517 M518P282-Y514 HydrophobicContact CB-CE2 4.07Å; P282-Y514 HydrophobicContact CG-CD2 3.87Å; P282-Y514 HydrophobicContact CG-CE2 3.64Å; N393-Y514 VanDerWaalsContact O-CE1 3.22Å; N393-Y514 WeakPolarHBondContact O-CE1 3.34Å; N393-Y514 VanDerWaalsContact O-CZ 3.29Å; N393-Y514 PolarHBondContact O-OH 3.3Å; P395-Y514 HydrophobicContact CG-CD1 4.1Å; P395-Y514 HydrophobicContact CG-CE1 4.17Å; W396-Y514 HydrophobicContact CH2-CD1 4.27Å; W396-Y514 AromaticContact CH2-CE1 3.77Å; W396-Y514 HydrophobicContact CH2-CE1 3.77Å; W396-Y514 HydrophobicContact CH2-CE2 4.44Å; W396-Y514 AromaticContact CH2-CZ 3.86Å; W396-Y514 AromaticContact CZ3-CD1 3.86Å; W396-Y514 HydrophobicContact CZ3-CD1 3.86Å; W396-Y514 AromaticContact CZ3-CE1 3.78Å; W396-Y514 HydrophobicContact CZ3-CE1 3.78Å; W396-Y514 HydrophobicContact CZ3-CG 4.42Å; Y411-Y514 HydrophobicContact CE2-CG 4.12Å; N510-Y514 WeakPolarHBondContact O-CD2 3.33Å; N510-Y514 PolarHBondContact O-N 2.83Å; N510-Y514 VanDerWaalsContact O-N 3.16Å; V511-Y514 PolarHBondContact O-N 3.47Å; E512-Y514 VanDerWaalsContact C-N 3.35Å; E512-Y514 PolarHBondContact O-N 2.65Å; Y514-K516 VanDerWaalsContact C-N 3.33Å; Y514-K516 PolarHBondContact O-N 3.48Å; Y514-W517 PolarHBondContact O-N 3.47Å; Y514-M518 WeakPolarHBondContact O-CB 3.21Å; Y514-M518 WeakPolarHBondContact O-CG 3.45Å; Y514-M518 PolarHBondContact O-N 3.16Å
515E93.2Very high89.3Confident106 Ų10673.8 Ų73.850%0.49541%0.407SS..Hα-helixtrans-61.2-42.3179.2-70.2178.5174.200111.8V511 E512 M518 T519V511-E515 PolarHBondContact O-N 3.33Å; E512-E515 PolarHBondContact O-N 2.9Å; E515-M518 PolarHBondContact O-N 3.15Å; E515-T519 WeakPolarHBondContact O-CB 3.36Å; E515-T519 PolarHBondContact O-N 3.05Å; E515-T519 PolarHBondContact O-OG1 3.41Å
516K95.3Very high89.2Confident152 Ų15274.2 Ų74.266%0.66141%0.405SS*.Hα-helixtrans-61.5-47.1174.4-174.9177.2179.3178.70111.7E512 Y514 M518 T519 E520E512-K516 WeakPolarHBondContact O-CB 3.17Å; E512-K516 PolarHBondContact O-N 3.45Å; Y514-K516 VanDerWaalsContact C-N 3.33Å; Y514-K516 PolarHBondContact O-N 3.48Å; K516-M518 VanDerWaalsContact C-N 3.33Å; K516-M518 PolarHBondContact O-N 3.06Å; K516-T519 PolarHBondContact O-N 3.16Å; K516-E520 PolarHBondContact O-N 3.47Å; K516-E520 VanDerWaalsContact O-N 3.16Å
517W94.5Very high88.9Confident16 Ų1677.9 Ų77.96%0.06143%0.425CS..Hα-helixtrans-63.1-39.8178-172.296.1000111.9L278 V280 P395 R409 R513 Y514 T519 E520 F521L278-W517 HydrophobicContact CD2-CH2 4.18Å; V280-W517 HydrophobicContact CB-CZ3 4.47Å; V280-W517 HydrophobicContact CG1-CH2 4.11Å; V280-W517 HydrophobicContact CG1-CZ3 3.85Å; V280-W517 HydrophobicContact CG2-CE3 4.37Å; V280-W517 HydrophobicContact CG2-CZ3 4.08Å; P395-W517 HydrophobicContact CB-CD2 3.81Å; P395-W517 HydrophobicContact CB-CE3 4.02Å; P395-W517 HydrophobicContact CB-CG 4.46Å; P395-W517 HydrophobicContact CB-CH2 3.92Å; P395-W517 HydrophobicContact CB-CZ2 3.68Å; P395-W517 HydrophobicContact CB-CZ3 4.08Å; P395-W517 HydrophobicContact CG-CD2 3.94Å; P395-W517 HydrophobicContact CG-CE3 4.19Å; P395-W517 HydrophobicContact CG-CG 4.19Å; P395-W517 PolarHBondContact O-NE1 3.01Å; R409-W517 HydrophobicContact CG-CH2 4.38Å; R513-W517 WeakPolarHBondContact O-CB 3.39Å; R513-W517 PolarHBondContact O-N 3.27Å; R513-W517 VanDerWaalsContact O-N 3.12Å; Y514-W517 PolarHBondContact O-N 3.47Å; W517-T519 VanDerWaalsContact C-N 3.34Å; W517-E520 PolarHBondContact O-N 3.45Å; W517-F521 AromaticContact CD1-CD2 3.77Å; W517-F521 HydrophobicContact CD2-CB 4.35Å; W517-F521 AromaticContact CD2-CD2 4Å; W517-F521 HydrophobicContact CD2-CD2 4Å; W517-F521 AromaticContact CE2-CD2 3.61Å; W517-F521 HydrophobicContact CE3-CB 4.38Å; W517-F521 HydrophobicContact CG-CD2 4.08Å; W517-F521 HydrophobicContact CH2-CB 4.06Å; W517-F521 HydrophobicContact CZ2-CB 4.01Å; W517-F521 HydrophobicContact CZ2-CD2 4.14Å; W517-F521 HydrophobicContact CZ2-CG 4.39Å; W517-F521 HydrophobicContact CZ3-CB 4.24Å; W517-F521 AromaticContact NE1-CD2 3.49Å; W517-F521 AromaticContact NE1-CE2 3.97Å; W517-F521 PolarHBondContact O-N 2.91Å
518M92.6Very high88.7Confident30 Ų3080.1 Ų80.115%0.14843%0.433CS..Hα-helixtrans-69-30.7176.1-77.9-60.8-6000113.2V280 Y411 Y514 E515 K516 E520 G522V280-M518 HydrophobicContact CG2-CG 4.06Å; V280-M518 HydrophobicContact CG2-SD 3.36Å; V280-M518 WeakPolarHBondContact CG2-SD 3.47Å; Y411-M518 HydrophobicContact CD2-CG 4.15Å; Y411-M518 HydrophobicContact CG-CG 4.06Å; Y514-M518 WeakPolarHBondContact O-CB 3.21Å; Y514-M518 WeakPolarHBondContact O-CG 3.45Å; Y514-M518 PolarHBondContact O-N 3.16Å; E515-M518 PolarHBondContact O-N 3.15Å; K516-M518 VanDerWaalsContact C-N 3.33Å; K516-M518 PolarHBondContact O-N 3.06Å; M518-E520 VanDerWaalsContact C-N 3.29Å; M518-G522 VanDerWaalsContact CE-CA 3.47Å; M518-G522 WeakPolarHBondContact O-CA 3.41Å; M518-G522 PolarHBondContact O-N 3.45Å
519T92.9Very high88.4Confident128 Ų12880.4 Ų80.479%0.78542%0.421SS*.Hα-helixtrans-67.3-35.1172.8-56.90000111.2E515 K516 W517E515-T519 WeakPolarHBondContact O-CB 3.36Å; E515-T519 PolarHBondContact O-N 3.05Å; E515-T519 PolarHBondContact O-OG1 3.41Å; K516-T519 PolarHBondContact O-N 3.16Å; W517-T519 VanDerWaalsContact C-N 3.34Å
520E92.3Very high88.1Confident131 Ų13180.8 Ų80.861%0.61241%0.414SS*.Hα-helixtrans-82.1-39.7-179-165.3178.7168.300113.1K516 W517 M518K516-E520 PolarHBondContact O-N 3.47Å; K516-E520 VanDerWaalsContact O-N 3.16Å; W517-E520 PolarHBondContact O-N 3.45Å; M518-E520 VanDerWaalsContact C-N 3.29Å
521F90.4Very high87.8Confident55 Ų5581.9 Ų81.924%0.24142%0.419CS..Hα-helixtrans-126.4-7-170.2-57.3-57.2000115.1R409 W517R409-F521 WeakPolarHBondContact CD-O 3.18Å; W517-F521 AromaticContact CD1-CD2 3.77Å; W517-F521 HydrophobicContact CD2-CB 4.35Å; W517-F521 AromaticContact CD2-CD2 4Å; W517-F521 HydrophobicContact CD2-CD2 4Å; W517-F521 AromaticContact CE2-CD2 3.61Å; W517-F521 HydrophobicContact CE3-CB 4.38Å; W517-F521 HydrophobicContact CG-CD2 4.08Å; W517-F521 HydrophobicContact CH2-CB 4.06Å; W517-F521 HydrophobicContact CZ2-CB 4.01Å; W517-F521 HydrophobicContact CZ2-CD2 4.14Å; W517-F521 HydrophobicContact CZ2-CG 4.39Å; W517-F521 HydrophobicContact CZ3-CB 4.24Å; W517-F521 AromaticContact NE1-CD2 3.49Å; W517-F521 AromaticContact NE1-CE2 3.97Å; W517-F521 PolarHBondContact O-N 2.91Å
522G79.4Confident87.3Confident19 Ų1986 Ų8620%0.19644%0.438CS..  trans-66.5142.5-178.900000112.3M518 T524M518-G522 VanDerWaalsContact CE-CA 3.47Å; M518-G522 WeakPolarHBondContact O-CA 3.41Å; M518-G522 PolarHBondContact O-N 3.45Å; G522-T524 PolarHBondContact O-N 2.7Å
523A65.3Low86.7Confident27 Ų2781.9 Ų81.922%0.22342%0.422CS..  trans-92.981.7171.400000108.3K408K408-A523 HydrophobicContact CD-CB 3.93Å; K408-A523 PolarHBondContact NZ-O 2.84Å
524T54.3Low85.9Confident183 Ų18377.8 Ų77.8100%1.12342%0.416SS*.  trans-60.20178.6-15.80000111.7G522G522-T524 PolarHBondContact O-N 2.7Å

Retrieved 524 of 524 residues in 187.3 ms (Link to these results)

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