A0A077YYS5_TRITR Loading...

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 A0A077YYS5, Species TRITR (Trichuris trichiura, Whipworm), Gene KATNA1, Length 500 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.7Low78.5Confident194 Ų19496 Ų9696%0.95651%0.511SS*.  0116.20-69.4177.1-156.500107.1L3M1-L3 PolarHBondContact O-N 3.28Å
2T62.3Low79.6Confident146 Ų14690.4 Ų90.490%0.89648%0.481SS*.  trans-76.1115.2170.9430000107.5D4T2-D4 PolarHBondContact O-N 3.21Å
3L68Low80.5Confident28 Ų2890.5 Ų90.515%0.14748%0.476CS..  trans-66.4124.5174-168.885.9000108.3M1 F5 L8 C37 Y41 W54M1-L3 PolarHBondContact O-N 3.28Å; L3-F5 HydrophobicContact CD2-CD1 4.48Å; L3-F5 HydrophobicContact CD2-CE1 4.31Å; L3-F5 HydrophobicContact CD2-CZ 4.43Å; L3-F5 WeakPolarHBondContact O-CD2 3.45Å; L3-F5 PolarHBondContact O-N 3.43Å; L3-L8 HydrophobicContact CD2-CD2 3.86Å; L3-C37 HydrophobicContact CD1-CB 4.3Å; L3-Y41 HydrophobicContact CB-CD2 3.67Å; L3-Y41 HydrophobicContact CB-CE2 3.85Å; L3-Y41 HydrophobicContact CB-CG 4.15Å; L3-Y41 HydrophobicContact CD1-CD2 4.4Å; L3-Y41 HydrophobicContact CD1-CG 4.19Å; L3-Y41 HydrophobicContact CD2-CD1 4.13Å; L3-Y41 HydrophobicContact CD2-CD2 4.46Å; L3-Y41 HydrophobicContact CD2-CE1 4.42Å; L3-Y41 HydrophobicContact CD2-CG 4.14Å; L3-Y41 HydrophobicContact CG-CD2 4.4Å; L3-Y41 HydrophobicContact CG-CG 4.4Å; L3-W54 HydrophobicContact CD2-CH2 3.5Å; L3-W54 HydrophobicContact CD2-CZ2 3.91Å; L3-W54 HydrophobicContact CD2-CZ3 4.32Å
4D82.4Confident81.2Confident98 Ų9888.8 Ų88.852%0.52447%0.471SS..  trans-79.1103.4171.2-174.3-6.3000109.4T2 V6 A7 L8T2-D4 PolarHBondContact O-N 3.21Å; D4-V6 VanDerWaalsContact C-N 3.29Å; D4-V6 PolarHBondContact O-N 3.02Å; D4-V6 PolarHBondContact OD1-N 3.45Å; D4-A7 HydrophobicContact CB-CB 4.03Å; D4-A7 PolarHBondContact OD1-N 3.47Å; D4-L8 WeakPolarHBondContact O-CB 3.16Å; D4-L8 PolarHBondContact O-N 3.05Å; D4-L8 VanDerWaalsContact O-N 3.08Å
5F82.5Confident81.8Confident120 Ų12082.9 Ų82.953%0.52644%0.44SS..Hα-helixtrans-66.2-29.9-178.4-72.9-90.6000113.2L3 K9 W54L3-F5 HydrophobicContact CD2-CD1 4.48Å; L3-F5 HydrophobicContact CD2-CE1 4.31Å; L3-F5 HydrophobicContact CD2-CZ 4.43Å; L3-F5 WeakPolarHBondContact O-CD2 3.45Å; L3-F5 PolarHBondContact O-N 3.43Å; F5-K9 WeakPolarHBondContact O-CB 3.39Å; F5-K9 PolarHBondContact O-N 2.72Å; F5-K9 VanDerWaalsContact O-N 3.11Å; F5-W54 HydrophobicContact CD1-CH2 4.39Å; F5-W54 HydrophobicContact CD1-CZ2 4.43Å; F5-W54 AromaticContact CE1-CH2 3.9Å; F5-W54 HydrophobicContact CE1-CH2 3.9Å; F5-W54 AromaticContact CE1-CZ2 3.52Å; F5-W54 HydrophobicContact CE1-CZ2 3.52Å; F5-W54 HydrophobicContact CZ-CZ2 4.09Å
6V80.6Confident82.6Confident92 Ų9283.7 Ų83.756%0.55844%0.435SS*.Hα-helixtrans-71.9-50.9-179179.70000108.9D4 L8 K9 E10D4-V6 VanDerWaalsContact C-N 3.29Å; D4-V6 PolarHBondContact O-N 3.02Å; D4-V6 PolarHBondContact OD1-N 3.45Å; V6-L8 VanDerWaalsContact C-N 3.31Å; V6-L8 PolarHBondContact O-N 2.96Å; V6-K9 PolarHBondContact O-N 2.89Å; V6-E10 WeakPolarHBondContact O-CG 3.12Å; V6-E10 PolarHBondContact O-N 2.6Å
7A82.8Confident83.2Confident45 Ų4582.8 Ų82.837%0.37243%0.431SS..Hα-helixtrans-59.3-40.2176.800000112.4D4 E10 A11D4-A7 HydrophobicContact CB-CB 4.03Å; D4-A7 PolarHBondContact OD1-N 3.47Å; A7-E10 PolarHBondContact O-N 2.99Å; A7-A11 WeakPolarHBondContact O-CB 3.3Å; A7-A11 PolarHBondContact O-N 3.08Å
8L88.9Confident83.6Confident16 Ų1679.6 Ų79.68%0.08441%0.414CS..Hα-helixtrans-64.9-42.7177.1-178.364.1000112L3 D4 V6 A11 I12 A34 C37 I38 W54L3-L8 HydrophobicContact CD2-CD2 3.86Å; D4-L8 WeakPolarHBondContact O-CB 3.16Å; D4-L8 PolarHBondContact O-N 3.05Å; D4-L8 VanDerWaalsContact O-N 3.08Å; V6-L8 VanDerWaalsContact C-N 3.31Å; V6-L8 PolarHBondContact O-N 2.96Å; L8-A11 PolarHBondContact O-N 3.24Å; L8-I12 HydrophobicContact CD1-CD1 4.18Å; L8-I12 HydrophobicContact CD1-CG1 4.47Å; L8-I12 HydrophobicContact CG-CD1 4Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.39Å; L8-I12 PolarHBondContact O-N 3.34Å; L8-A34 HydrophobicContact CD1-CB 3.85Å; L8-C37 HydrophobicContact CD1-CB 4.43Å; L8-I38 HydrophobicContact CD1-CD1 4.43Å; L8-I38 HydrophobicContact CD1-CG1 4.31Å; L8-I38 HydrophobicContact CD2-CD1 4.22Å; L8-I38 HydrophobicContact CD2-CG1 3.89Å; L8-W54 HydrophobicContact CD2-CH2 4Å; L8-W54 HydrophobicContact CD2-CZ3 3.95Å
9K89Confident83.9Confident159 Ų15976.5 Ų76.569%0.69140%0.402SS*.Hα-helixtrans-64.7-42.6179-174.1-176.7177-171.80111.3F5 V6 I12 Q13F5-K9 WeakPolarHBondContact O-CB 3.39Å; F5-K9 PolarHBondContact O-N 2.72Å; F5-K9 VanDerWaalsContact O-N 3.11Å; V6-K9 PolarHBondContact O-N 2.89Å; K9-I12 PolarHBondContact O-N 3.4Å; K9-Q13 PolarHBondContact O-N 3.49Å
10E87.7Confident84.2Confident122 Ų12280.3 Ų80.357%0.5742%0.422SS*.Hα-helixtrans-63-45.4175.5-72.8176.2175.900111.3V6 A7 I12 Q13 V14V6-E10 WeakPolarHBondContact O-CG 3.12Å; V6-E10 PolarHBondContact O-N 2.6Å; A7-E10 PolarHBondContact O-N 2.99Å; E10-I12 VanDerWaalsContact C-N 3.33Å; E10-I12 PolarHBondContact O-N 3.2Å; E10-Q13 PolarHBondContact O-N 3.09Å; E10-Q13 VanDerWaalsContact O-N 3.15Å; E10-V14 VanDerWaalsContact O-CG2 3.32Å; E10-V14 WeakPolarHBondContact O-CG2 3.24Å; E10-V14 PolarHBondContact O-N 3.01Å
11A88.5Confident84.4Confident36 Ų3681.9 Ų81.930%0.29843%0.43SS..Hα-helixtrans-59.9-40.3177.500000112.9A7 L8 A15A7-A11 WeakPolarHBondContact O-CB 3.3Å; A7-A11 PolarHBondContact O-N 3.08Å; L8-A11 PolarHBondContact O-N 3.24Å; A11-A15 WeakPolarHBondContact O-CB 3.47Å; A11-A15 PolarHBondContact O-N 2.67Å
12I91.7Very high86.2Confident29 Ų2974 Ų7415%0.14940%0.399CS..Hα-helixtrans-67.6-40.4176-67.1165.6000111L8 K9 E10 A15 R16 A34 L61L8-I12 HydrophobicContact CD1-CD1 4.18Å; L8-I12 HydrophobicContact CD1-CG1 4.47Å; L8-I12 HydrophobicContact CG-CD1 4Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.39Å; L8-I12 PolarHBondContact O-N 3.34Å; K9-I12 PolarHBondContact O-N 3.4Å; E10-I12 VanDerWaalsContact C-N 3.33Å; E10-I12 PolarHBondContact O-N 3.2Å; I12-A15 WeakPolarHBondContact O-CB 3.39Å; I12-A15 PolarHBondContact O-N 2.83Å; I12-R16 WeakPolarHBondContact O-CG 3.43Å; I12-R16 PolarHBondContact O-N 3.28Å; I12-R16 VanDerWaalsContact O-N 3.12Å; I12-A34 HydrophobicContact CG1-CB 4.03Å; I12-L61 HydrophobicContact CD1-CD1 3.95Å; I12-L61 HydrophobicContact CD1-CD2 4.26Å; I12-L61 HydrophobicContact CG1-CD1 4.34Å; I12-L61 HydrophobicContact CG1-CD2 4.13Å; I12-L61 HydrophobicContact CG2-CD2 3.94Å
13Q91Very high87.6Confident91 Ų9169.7 Ų69.743%0.42537%0.37SS..Hα-helixtrans-64.3-45.7177.4-172.460.242.700111.1K9 E10 A15 R16 D17K9-Q13 PolarHBondContact O-N 3.49Å; E10-Q13 PolarHBondContact O-N 3.09Å; E10-Q13 VanDerWaalsContact O-N 3.15Å; Q13-A15 VanDerWaalsContact C-N 3.29Å; Q13-A15 PolarHBondContact O-N 3.21Å; Q13-R16 PolarHBondContact O-N 3.06Å; Q13-R16 VanDerWaalsContact O-N 3.14Å; Q13-D17 PolarHBondContact NE2-OD1 2.66Å; Q13-D17 VanDerWaalsContact O-CG 3.27Å; Q13-D17 PolarHBondContact O-N 3.17Å
14V90.4Very high88.7Confident67 Ų6771.3 Ų71.341%0.40638%0.375SS..Hα-helixtrans-60-39.7175.3172.10000111.3E10 R16 D17 N18E10-V14 VanDerWaalsContact O-CG2 3.32Å; E10-V14 WeakPolarHBondContact O-CG2 3.24Å; E10-V14 PolarHBondContact O-N 3.01Å; V14-R16 VanDerWaalsContact C-N 3.33Å; V14-R16 PolarHBondContact O-N 3.43Å; V14-D17 PolarHBondContact O-N 2.96Å; V14-N18 VanDerWaalsContact O-CB 3.31Å; V14-N18 WeakPolarHBondContact O-CB 3.36Å; V14-N18 VanDerWaalsContact O-CG 3.26Å; V14-N18 PolarHBondContact O-N 3.4Å; V14-N18 PolarHBondContact O-ND2 3.28Å
15A90.8Very high89Confident0 Ų071.1 Ų71.10%038%0.381CS..Hα-helixtrans-59.8-43.1175.900000112.1A11 I12 Q13 A19 A27 C30 Y31A11-A15 WeakPolarHBondContact O-CB 3.47Å; A11-A15 PolarHBondContact O-N 2.67Å; I12-A15 WeakPolarHBondContact O-CB 3.39Å; I12-A15 PolarHBondContact O-N 2.83Å; Q13-A15 VanDerWaalsContact C-N 3.29Å; Q13-A15 PolarHBondContact O-N 3.21Å; A15-A19 WeakPolarHBondContact O-CB 3.42Å; A15-A19 PolarHBondContact O-N 3.38Å; A15-A19 VanDerWaalsContact O-N 3.1Å; A15-A27 WeakPolarHBondContact O-CB 3.43Å; A15-C30 HydrophobicContact CB-CB 3.59Å; A15-Y31 HydrophobicContact CB-CD1 4.13Å; A15-Y31 HydrophobicContact CB-CD2 3.85Å; A15-Y31 HydrophobicContact CB-CE1 4.1Å; A15-Y31 HydrophobicContact CB-CE2 3.8Å; A15-Y31 HydrophobicContact CB-CG 4Å
16R94.7Very high89.4Confident96 Ų9669.5 Ų69.536%0.36238%0.375SS..Hα-helixtrans-69.3-43.4178.5-72.3171.9172.8173.5-4.2112.2I12 Q13 V14 A19 L20 Y31 E64I12-R16 WeakPolarHBondContact O-CG 3.43Å; I12-R16 PolarHBondContact O-N 3.28Å; I12-R16 VanDerWaalsContact O-N 3.12Å; Q13-R16 PolarHBondContact O-N 3.06Å; Q13-R16 VanDerWaalsContact O-N 3.14Å; V14-R16 VanDerWaalsContact C-N 3.33Å; V14-R16 PolarHBondContact O-N 3.43Å; R16-A19 WeakPolarHBondContact O-CB 3.12Å; R16-A19 PolarHBondContact O-N 3.25Å; R16-L20 WeakPolarHBondContact O-CG 3.11Å; R16-L20 PolarHBondContact O-N 3.28Å; R16-Y31 WeakPolarHBondContact CG-OH 3.15Å; R16-E64 IonicContact CZ-OE1 2.71Å; R16-E64 IonicContact CZ-OE2 2.75Å; R16-E64 IonicContact NE-OE1 2.64Å; R16-E64 IonicContact NE-OE2 3.61Å; R16-E64 PolarHBondContact NE-OE2 3.38Å; R16-E64 IonicContact NH2-OE1 3.73Å; R16-E64 PolarHBondContact NH2-OE1 2.94Å; R16-E64 IonicContact NH2-OE2 3.52Å
17D91.9Very high89.9Confident68 Ų6865.1 Ų65.136%0.36435%0.348SS..Hα-helixtrans-64.3-43.1178.8-65.4-15.4000110.6Q13 V14 A19 L20 L21Q13-D17 PolarHBondContact NE2-OD1 2.66Å; Q13-D17 VanDerWaalsContact O-CG 3.27Å; Q13-D17 PolarHBondContact O-N 3.17Å; V14-D17 PolarHBondContact O-N 2.96Å; D17-A19 VanDerWaalsContact C-N 3.32Å; D17-A19 PolarHBondContact O-N 3.35Å; D17-L20 PolarHBondContact O-N 3.16Å; D17-L21 WeakPolarHBondContact O-CB 2.97Å; D17-L21 VanDerWaalsContact O-CG 3.28Å; D17-L21 WeakPolarHBondContact O-CG 3.32Å; D17-L21 PolarHBondContact O-N 3.3Å
18N90.9Very high90.3Very high25 Ų2564.4 Ų64.413%0.13434%0.338CS..Hα-helixtrans-62.4-37.5174.7-75.3-18000112.6V14 L21 G22 L23 A27V14-N18 VanDerWaalsContact O-CB 3.31Å; V14-N18 WeakPolarHBondContact O-CB 3.36Å; V14-N18 VanDerWaalsContact O-CG 3.26Å; V14-N18 PolarHBondContact O-N 3.4Å; V14-N18 PolarHBondContact O-ND2 3.28Å; N18-L21 PolarHBondContact O-N 3.35Å; N18-G22 PolarHBondContact O-N 2.77Å; N18-L23 HydrophobicContact CB-CB 4.24Å; N18-L23 PolarHBondContact O-N 2.9Å; N18-A27 HydrophobicContact CB-CB 3.9Å
19A89.9Confident90.5Very high22 Ų2267.6 Ų67.618%0.18236%0.362CS..Hα-helixtrans-65.2-39.7175.500000112A15 R16 D17 G22 A27 V68A15-A19 WeakPolarHBondContact O-CB 3.42Å; A15-A19 PolarHBondContact O-N 3.38Å; A15-A19 VanDerWaalsContact O-N 3.1Å; R16-A19 WeakPolarHBondContact O-CB 3.12Å; R16-A19 PolarHBondContact O-N 3.25Å; D17-A19 VanDerWaalsContact C-N 3.32Å; D17-A19 PolarHBondContact O-N 3.35Å; A19-G22 PolarHBondContact O-N 2.86Å; A19-A27 HydrophobicContact CB-CB 4.06Å; A19-V68 HydrophobicContact CB-CG2 4.05Å
20L89.6Confident90.6Very high151 Ų15161.7 Ų61.779%0.79134%0.34SS*.Hα-helixtrans-69.5-33.1176.2-69.9173.3000112.8R16 D17 G22R16-L20 WeakPolarHBondContact O-CG 3.11Å; R16-L20 PolarHBondContact O-N 3.28Å; D17-L20 PolarHBondContact O-N 3.16Å; L20-G22 VanDerWaalsContact C-N 3.26Å; L20-G22 PolarHBondContact O-N 2.99Å
21L88.8Confident90.9Very high114 Ų11456.3 Ų56.360%0.59732%0.315SS*.THydrogen-bonded Turntrans-79.9-1.9178-68172.2000113.9D17 N18 L23D17-L21 WeakPolarHBondContact O-CB 2.97Å; D17-L21 VanDerWaalsContact O-CG 3.28Å; D17-L21 WeakPolarHBondContact O-CG 3.32Å; D17-L21 PolarHBondContact O-N 3.3Å; N18-L21 PolarHBondContact O-N 3.35Å; L21-L23 VanDerWaalsContact C-N 3.35Å; L21-L23 HydrophobicContact CB-CD1 4.36Å; L21-L23 HydrophobicContact CB-CG 4.39Å
22G88.1Confident91.1Very high30 Ų3058 Ų5831%0.30932%0.319SS..THydrogen-bonded Turntrans79.113.4-178.400000114.6N18 A19 L20 Y24N18-G22 PolarHBondContact O-N 2.77Å; A19-G22 PolarHBondContact O-N 2.86Å; L20-G22 VanDerWaalsContact C-N 3.26Å; L20-G22 PolarHBondContact O-N 2.99Å; G22-Y24 VanDerWaalsContact C-N 3.32Å; G22-Y24 WeakPolarHBondContact O-CD2 3.36Å; G22-Y24 PolarHBondContact O-N 2.67Å
23L90.9Very high91Very high54 Ų5458.4 Ų58.428%0.28333%0.33SS..  trans-90.861.4178.7-61.5172.6000110.6N18 L21 S25 E26 A27N18-L23 HydrophobicContact CB-CB 4.24Å; N18-L23 PolarHBondContact O-N 2.9Å; L21-L23 VanDerWaalsContact C-N 3.35Å; L21-L23 HydrophobicContact CB-CD1 4.36Å; L21-L23 HydrophobicContact CB-CG 4.39Å; L23-S25 PolarHBondContact O-N 2.89Å; L23-E26 HydrophobicContact CB-CB 4.42Å; L23-E26 PolarHBondContact O-N 3.34Å; L23-E26 VanDerWaalsContact O-N 3.16Å; L23-A27 PolarHBondContact O-N 2.84Å
24Y91.5Very high91Very high62 Ų6254.1 Ų54.124%0.24331%0.31CS..Hα-helixtrans-63.2-34.1-168.3-54.6-62.2000114.8G22 E26 L28 V68 I71 V72 L75G22-Y24 VanDerWaalsContact C-N 3.32Å; G22-Y24 WeakPolarHBondContact O-CD2 3.36Å; G22-Y24 PolarHBondContact O-N 2.67Å; Y24-E26 VanDerWaalsContact C-N 3.32Å; Y24-E26 PolarHBondContact O-N 2.92Å; Y24-L28 WeakPolarHBondContact O-CB 3.36Å; Y24-L28 WeakPolarHBondContact O-CG 3.38Å; Y24-L28 PolarHBondContact O-N 3.4Å; Y24-V68 HydrophobicContact CD1-CG1 3.99Å; Y24-V68 HydrophobicContact CG-CG1 4.46Å; Y24-I71 HydrophobicContact CD1-CG2 4.32Å; Y24-I71 HydrophobicContact CD2-CG2 4.5Å; Y24-I71 HydrophobicContact CE1-CD1 4.45Å; Y24-I71 HydrophobicContact CE1-CG2 3.72Å; Y24-I71 HydrophobicContact CE2-CG2 3.95Å; Y24-V72 VanDerWaalsContact CB-CG2 3.44Å; Y24-V72 HydrophobicContact CD2-CG2 4.33Å; Y24-V72 HydrophobicContact CG-CG2 3.98Å; Y24-L75 HydrophobicContact CD2-CD1 3.75Å; Y24-L75 HydrophobicContact CE2-CD1 3.33Å
25S88.4Confident91.1Very high94 Ų9451.2 Ų51.266%0.65729%0.292SS*.Hα-helixtrans-64.1-38.917752.60000112.3L23 S29L23-S25 PolarHBondContact O-N 2.89Å; S25-S29 PolarHBondContact O-N 3.3Å
26E90.4Very high91.1Very high86 Ų8655.7 Ų55.740%0.40232%0.316SS..Hα-helixtrans-75.6-41.9179.9-64.8175.9174.800110.2L23 Y24 L28 S29 C30L23-E26 HydrophobicContact CB-CB 4.42Å; L23-E26 PolarHBondContact O-N 3.34Å; L23-E26 VanDerWaalsContact O-N 3.16Å; Y24-E26 VanDerWaalsContact C-N 3.32Å; Y24-E26 PolarHBondContact O-N 2.92Å; E26-L28 PolarHBondContact O-N 3.16Å; E26-S29 WeakPolarHBondContact O-CB 3.47Å; E26-S29 PolarHBondContact O-N 3.02Å; E26-C30 PolarHBondContact O-N 2.99Å; E26-C30 PolarHBondContact O-SG 2.81Å; E26-C30 VanDerWaalsContact O-SG 3.35Å
27A92.2Very high90.7Very high0 Ų054.2 Ų54.20%032%0.32CS..Hα-helixtrans-54.6-48.8172.200000111.9A15 N18 A19 L23 S29 C30 Y31 V68A15-A27 WeakPolarHBondContact O-CB 3.43Å; N18-A27 HydrophobicContact CB-CB 3.9Å; A19-A27 HydrophobicContact CB-CB 4.06Å; L23-A27 PolarHBondContact O-N 2.84Å; A27-S29 VanDerWaalsContact C-N 3.34Å; A27-S29 PolarHBondContact O-N 2.77Å; A27-C30 PolarHBondContact O-N 3.16Å; A27-Y31 WeakPolarHBondContact O-CD2 3.31Å; A27-Y31 PolarHBondContact O-N 3.43Å; A27-V68 HydrophobicContact CB-CG1 4.41Å
28L92Very high90.5Very high31 Ų3151 Ų5116%0.16230%0.303CS..Hα-helixtrans-61.9-38.8178.3-74.5173.3000112.7Y24 E26 Y31 N32 V68 K69 V72Y24-L28 WeakPolarHBondContact O-CB 3.36Å; Y24-L28 WeakPolarHBondContact O-CG 3.38Å; Y24-L28 PolarHBondContact O-N 3.4Å; E26-L28 PolarHBondContact O-N 3.16Å; L28-Y31 PolarHBondContact O-N 3.24Å; L28-N32 WeakPolarHBondContact O-CB 3.35Å; L28-N32 PolarHBondContact O-N 3.1Å; L28-N32 PolarHBondContact O-ND2 3.45Å; L28-N32 VanDerWaalsContact O-ND2 3.11Å; L28-V68 HydrophobicContact CD1-CG1 4.38Å; L28-V68 HydrophobicContact CD2-CB 4.02Å; L28-V68 HydrophobicContact CD2-CG1 3.85Å; L28-V68 HydrophobicContact CG-CB 4.47Å; L28-V68 HydrophobicContact CG-CG1 3.74Å; L28-K69 HydrophobicContact CD1-CG 4.27Å; L28-K69 HydrophobicContact CD2-CG 3.67Å; L28-V72 HydrophobicContact CD1-CG2 4.47Å
29S91.9Very high90.4Very high82 Ų8254.9 Ų54.957%0.57332%0.315SS*.Hα-helixtrans-62.6-44.1175.8-169.30000111.6S25 E26 A27 G33S25-S29 PolarHBondContact O-N 3.3Å; E26-S29 WeakPolarHBondContact O-CB 3.47Å; E26-S29 PolarHBondContact O-N 3.02Å; A27-S29 VanDerWaalsContact C-N 3.34Å; A27-S29 PolarHBondContact O-N 2.77Å; S29-G33 PolarHBondContact O-N 3.16Å
30C91.4Very high90.2Very high36 Ų3656.2 Ų56.224%0.24333%0.326CS..Hα-helixtrans-66.1-44.1177.4-64.90000111.9A15 E26 A27 G33 A34A15-C30 HydrophobicContact CB-CB 3.59Å; E26-C30 PolarHBondContact O-N 2.99Å; E26-C30 PolarHBondContact O-SG 2.81Å; E26-C30 VanDerWaalsContact O-SG 3.35Å; A27-C30 PolarHBondContact O-N 3.16Å; C30-G33 PolarHBondContact O-N 3.5Å; C30-A34 PolarHBondContact O-N 2.99Å
31Y93.7Very high89.9Confident8 Ų851 Ų513%0.03130%0.297CS..Hα-helixtrans-59.6-47.9175.3-84.2-63.8000112A15 R16 A27 L28 G33 A34 I35 L61 E64 A65 V68A15-Y31 HydrophobicContact CB-CD1 4.13Å; A15-Y31 HydrophobicContact CB-CD2 3.85Å; A15-Y31 HydrophobicContact CB-CE1 4.1Å; A15-Y31 HydrophobicContact CB-CE2 3.8Å; A15-Y31 HydrophobicContact CB-CG 4Å; R16-Y31 WeakPolarHBondContact CG-OH 3.15Å; A27-Y31 WeakPolarHBondContact O-CD2 3.31Å; A27-Y31 PolarHBondContact O-N 3.43Å; L28-Y31 PolarHBondContact O-N 3.24Å; Y31-G33 VanDerWaalsContact C-N 3.34Å; Y31-G33 PolarHBondContact O-N 3.18Å; Y31-A34 PolarHBondContact O-N 3.1Å; Y31-I35 WeakPolarHBondContact O-CB 3.45Å; Y31-I35 WeakPolarHBondContact O-CD1 3.47Å; Y31-I35 VanDerWaalsContact O-CG1 3.23Å; Y31-I35 WeakPolarHBondContact O-CG1 3.4Å; Y31-I35 PolarHBondContact O-N 3.44Å; Y31-L61 HydrophobicContact CD1-CD2 4.21Å; Y31-L61 HydrophobicContact CE1-CD2 3.97Å; Y31-E64 HydrophobicContact CE1-CB 3.76Å; Y31-E64 WeakPolarHBondContact CE1-OE2 3.33Å; Y31-E64 PolarHBondContact OH-OE2 3.08Å; Y31-A65 HydrophobicContact CD1-CB 4.45Å; Y31-A65 HydrophobicContact CG-CB 4.08Å; Y31-V68 HydrophobicContact CE2-CG2 4.04Å
32N92.3Very high89.6Confident73 Ų7347 Ų4739%0.3928%0.276SS..Hα-helixtrans-61.2-43178.8-72.4-30.3000111.6L28 A34 I35 D36L28-N32 WeakPolarHBondContact O-CB 3.35Å; L28-N32 PolarHBondContact O-N 3.1Å; L28-N32 PolarHBondContact O-ND2 3.45Å; L28-N32 VanDerWaalsContact O-ND2 3.11Å; N32-A34 PolarHBondContact O-N 2.86Å; N32-I35 PolarHBondContact O-N 3.2Å; N32-D36 WeakPolarHBondContact O-CB 3.36Å; N32-D36 PolarHBondContact O-N 3.49Å
33G91.3Very high89.2Confident36 Ų3653.5 Ų53.537%0.37130%0.297SS..Hα-helixtrans-60.1-45.3175.300000112.8S29 C30 Y31 D36 C37S29-G33 PolarHBondContact O-N 3.16Å; C30-G33 PolarHBondContact O-N 3.5Å; Y31-G33 VanDerWaalsContact C-N 3.34Å; Y31-G33 PolarHBondContact O-N 3.18Å; G33-D36 PolarHBondContact O-N 3.38Å; G33-C37 PolarHBondContact O-N 3.44Å; G33-C37 PolarHBondContact O-SG 2.9Å; G33-C37 VanDerWaalsContact O-SG 3.33Å
34A91Very high88.5Confident2 Ų254.3 Ų54.32%0.01731%0.305CS..Hα-helixtrans-64.1-42.5177.100000112.4L8 I12 C30 Y31 N32 C37 I38L8-A34 HydrophobicContact CD1-CB 3.85Å; I12-A34 HydrophobicContact CG1-CB 4.03Å; C30-A34 PolarHBondContact O-N 2.99Å; Y31-A34 PolarHBondContact O-N 3.1Å; N32-A34 PolarHBondContact O-N 2.86Å; A34-C37 PolarHBondContact O-N 3.4Å; A34-I38 VanDerWaalsContact O-CG1 3.3Å; A34-I38 WeakPolarHBondContact O-CG1 3.34Å; A34-I38 PolarHBondContact O-N 3.38Å
35I92.2Very high87.4Confident6 Ų654.8 Ų54.83%0.03133%0.329CS..Hα-helixtrans-60.4-45.9176.5-73.4166.3000110.6Y31 N32 C37 I38 R39 L58 L61 E62 A65Y31-I35 WeakPolarHBondContact O-CB 3.45Å; Y31-I35 WeakPolarHBondContact O-CD1 3.47Å; Y31-I35 VanDerWaalsContact O-CG1 3.23Å; Y31-I35 WeakPolarHBondContact O-CG1 3.4Å; Y31-I35 PolarHBondContact O-N 3.44Å; N32-I35 PolarHBondContact O-N 3.2Å; I35-C37 PolarHBondContact O-N 3.27Å; I35-I38 PolarHBondContact O-N 3.33Å; I35-R39 HydrophobicContact CG2-CG 4.42Å; I35-R39 WeakPolarHBondContact O-CB 3.43Å; I35-R39 WeakPolarHBondContact O-CG 3.46Å; I35-R39 PolarHBondContact O-N 3.49Å; I35-L58 HydrophobicContact CG2-CD1 4.17Å; I35-L61 HydrophobicContact CG1-CB 4.24Å; I35-E62 HydrophobicContact CD1-CG 4.02Å; I35-E62 HydrophobicContact CG1-CG 4.46Å; I35-A65 HydrophobicContact CD1-CB 4.26Å
36D89.4Confident86.7Confident93 Ų9351.9 Ų51.950%0.49731%0.305SS..Hα-helixtrans-65.8-39-179.9-72.3-20.2000112N32 G33 I38 R39 A40N32-D36 WeakPolarHBondContact O-CB 3.36Å; N32-D36 PolarHBondContact O-N 3.49Å; G33-D36 PolarHBondContact O-N 3.38Å; D36-I38 PolarHBondContact O-N 2.85Å; D36-R39 PolarHBondContact O-N 3.02Å; D36-R39 IonicContact OD1-NH1 2.68Å; D36-A40 VanDerWaalsContact O-CB 3.3Å; D36-A40 WeakPolarHBondContact O-CB 3.45Å; D36-A40 PolarHBondContact O-N 2.93Å
37C87.7Confident86Confident65 Ų6551.1 Ų51.144%0.43931%0.31SS..Hα-helixtrans-60.5-44.2172.7-73.20000112.3L3 L8 G33 A34 I35 Y41L3-C37 HydrophobicContact CD1-CB 4.3Å; L8-C37 HydrophobicContact CD1-CB 4.43Å; G33-C37 PolarHBondContact O-N 3.44Å; G33-C37 PolarHBondContact O-SG 2.9Å; G33-C37 VanDerWaalsContact O-SG 3.33Å; A34-C37 PolarHBondContact O-N 3.4Å; I35-C37 PolarHBondContact O-N 3.27Å; C37-Y41 WeakPolarHBondContact O-CB 3.48Å; C37-Y41 PolarHBondContact O-N 3.49Å
38I87.1Confident85.2Confident1 Ų154.8 Ų54.81%0.00534%0.335CS..Hα-helixtrans-68.6-42.8179.5-65.7167.5000110.7L8 A34 I35 D36 A40 Y41 I42 W54 L58 L61L8-I38 HydrophobicContact CD1-CD1 4.43Å; L8-I38 HydrophobicContact CD1-CG1 4.31Å; L8-I38 HydrophobicContact CD2-CD1 4.22Å; L8-I38 HydrophobicContact CD2-CG1 3.89Å; A34-I38 VanDerWaalsContact O-CG1 3.3Å; A34-I38 WeakPolarHBondContact O-CG1 3.34Å; A34-I38 PolarHBondContact O-N 3.38Å; I35-I38 PolarHBondContact O-N 3.33Å; D36-I38 PolarHBondContact O-N 2.85Å; I38-A40 PolarHBondContact O-N 2.78Å; I38-Y41 WeakPolarHBondContact O-CB 3.44Å; I38-Y41 PolarHBondContact O-N 3.45Å; I38-Y41 VanDerWaalsContact O-N 3.15Å; I38-I42 HydrophobicContact CG2-CD1 3.93Å; I38-I42 HydrophobicContact CG2-CG1 4.38Å; I38-I42 WeakPolarHBondContact O-CG1 3.45Å; I38-I42 PolarHBondContact O-N 3.05Å; I38-W54 HydrophobicContact CD1-CE3 4.49Å; I38-W54 HydrophobicContact CD1-CZ3 4.21Å; I38-W54 HydrophobicContact CG1-CE3 4.19Å; I38-W54 HydrophobicContact CG1-CZ3 3.88Å; I38-W54 HydrophobicContact CG2-CE3 3.75Å; I38-W54 HydrophobicContact CG2-CZ3 4.31Å; I38-L58 HydrophobicContact CB-CD1 4Å; I38-L58 HydrophobicContact CG2-CB 4.3Å; I38-L58 HydrophobicContact CG2-CD1 3.74Å; I38-L61 HydrophobicContact CD1-CD1 3.36Å
39R88.4Confident84.5Confident106 Ų10659.4 Ų59.440%0.436%0.36SS..Hα-helixtrans-59.1-48175.2-74.8174.8179164.1-2.1111.4I35 D36 Y41 I42 H43 L58 E62I35-R39 HydrophobicContact CG2-CG 4.42Å; I35-R39 WeakPolarHBondContact O-CB 3.43Å; I35-R39 WeakPolarHBondContact O-CG 3.46Å; I35-R39 PolarHBondContact O-N 3.49Å; D36-R39 PolarHBondContact O-N 3.02Å; D36-R39 IonicContact OD1-NH1 2.68Å; R39-Y41 PolarHBondContact O-N 3.4Å; R39-I42 PolarHBondContact O-N 3.46Å; R39-H43 PolarHBondContact O-CD2 3.39Å; R39-H43 PolarHBondContact O-N 3.46Å; R39-L58 HydrophobicContact CG-CD1 3.87Å; R39-L58 HydrophobicContact CG-CD2 4.41Å; R39-E62 IonicContact CZ-OE1 3.05Å; R39-E62 IonicContact NE-OE1 2.61Å; R39-E62 IonicContact NH2-OE1 2.66Å; R39-E62 PolarHBondContact NH2-OE1 2.8Å
40A85.1Confident83.8Confident50 Ų5059.3 Ų59.341%0.41335%0.353SS..Hα-helixtrans-57.9-38.4176.400000111.5D36 I38 T44D36-A40 VanDerWaalsContact O-CB 3.3Å; D36-A40 WeakPolarHBondContact O-CB 3.45Å; D36-A40 PolarHBondContact O-N 2.93Å; I38-A40 PolarHBondContact O-N 2.78Å; A40-T44 WeakPolarHBondContact O-CG2 2.97Å
41Y83.3Confident83.4Confident43 Ų4361.7 Ų61.717%0.16936%0.361CS..Hα-helixtrans-69.8-43.1177.5-173.9-114.4000113.2L3 C37 I38 R39 H43 T44 L46 W54L3-Y41 HydrophobicContact CB-CD2 3.67Å; L3-Y41 HydrophobicContact CB-CE2 3.85Å; L3-Y41 HydrophobicContact CB-CG 4.15Å; L3-Y41 HydrophobicContact CD1-CD2 4.4Å; L3-Y41 HydrophobicContact CD1-CG 4.19Å; L3-Y41 HydrophobicContact CD2-CD1 4.13Å; L3-Y41 HydrophobicContact CD2-CD2 4.46Å; L3-Y41 HydrophobicContact CD2-CE1 4.42Å; L3-Y41 HydrophobicContact CD2-CG 4.14Å; L3-Y41 HydrophobicContact CG-CD2 4.4Å; L3-Y41 HydrophobicContact CG-CG 4.4Å; C37-Y41 WeakPolarHBondContact O-CB 3.48Å; C37-Y41 PolarHBondContact O-N 3.49Å; I38-Y41 WeakPolarHBondContact O-CB 3.44Å; I38-Y41 PolarHBondContact O-N 3.45Å; I38-Y41 VanDerWaalsContact O-N 3.15Å; R39-Y41 PolarHBondContact O-N 3.4Å; Y41-H43 PolarHBondContact O-N 3.13Å; Y41-T44 WeakPolarHBondContact O-CB 3.41Å; Y41-T44 PolarHBondContact O-N 2.89Å; Y41-T44 PolarHBondContact O-OG1 2.99Å; Y41-L46 HydrophobicContact CD1-CD1 3.81Å; Y41-L46 HydrophobicContact CD1-CD2 4.31Å; Y41-L46 HydrophobicContact CE1-CD1 3.79Å; Y41-L46 HydrophobicContact CE1-CD2 3.5Å; Y41-L46 VanDerWaalsContact CE1-CD2 3.5Å; Y41-L46 HydrophobicContact CE1-CG 4.2Å; Y41-L46 HydrophobicContact CG-CD1 4.29Å; Y41-L46 WeakPolarHBondContact O-CD1 3.33Å; Y41-W54 HydrophobicContact CD1-CD2 4.26Å; Y41-W54 AromaticContact CD1-CE2 3.88Å; Y41-W54 HydrophobicContact CD1-CZ2 4.04Å; Y41-W54 HydrophobicContact CE1-CD2 4.38Å; Y41-W54 AromaticContact CE1-CE2 3.59Å; Y41-W54 AromaticContact CE1-CZ2 3.73Å; Y41-W54 HydrophobicContact CE1-CZ2 3.73Å; Y41-W54 AromaticContact CE1-NE1 3.47Å
42I83.7Confident82.9Confident29 Ų2966.5 Ų66.515%0.14939%0.387CS..Hα-helixtrans-56.2-37.2176.2-69.4168000111.2I38 R39 T44 Q51 W54I38-I42 HydrophobicContact CG2-CD1 3.93Å; I38-I42 HydrophobicContact CG2-CG1 4.38Å; I38-I42 WeakPolarHBondContact O-CG1 3.45Å; I38-I42 PolarHBondContact O-N 3.05Å; R39-I42 PolarHBondContact O-N 3.46Å; I42-T44 PolarHBondContact O-N 3.47Å; I42-Q51 HydrophobicContact CG2-CG 4.43Å; I42-W54 HydrophobicContact CD1-CB 4.16Å; I42-W54 HydrophobicContact CG1-CB 3.99Å
43H78.3Confident82.5Confident166 Ų16666.8 Ų66.877%0.76939%0.394SS*.THydrogen-bonded Turntrans-70-8.7177-74.7-64.4000115R39 Y41 G45R39-H43 PolarHBondContact O-CD2 3.39Å; R39-H43 PolarHBondContact O-N 3.46Å; Y41-H43 PolarHBondContact O-N 3.13Å; H43-G45 VanDerWaalsContact C-N 3.27Å; H43-G45 PolarHBondContact O-N 3.33Å
44T77.8Confident82.3Confident72 Ų7266.6 Ų66.644%0.44238%0.382SS..THydrogen-bonded Turntrans-81.85.1-179.564.10000115.1A40 Y41 I42A40-T44 WeakPolarHBondContact O-CG2 2.97Å; Y41-T44 WeakPolarHBondContact O-CB 3.41Å; Y41-T44 PolarHBondContact O-N 2.89Å; Y41-T44 PolarHBondContact O-OG1 2.99Å; I42-T44 PolarHBondContact O-N 3.47Å
45G68.2Low82Confident72 Ų7268.9 Ų68.974%0.74240%0.398SS*.THydrogen-bonded Turntrans85.556.4173.200000113.9H43H43-G45 VanDerWaalsContact C-N 3.27Å; H43-G45 PolarHBondContact O-N 3.33Å
46L73Confident81.8Confident32 Ų3271.9 Ų71.917%0.16842%0.42CS..  trans-74.8155.8176-76.3114.1000113.2Y41 L50Y41-L46 HydrophobicContact CD1-CD1 3.81Å; Y41-L46 HydrophobicContact CD1-CD2 4.31Å; Y41-L46 HydrophobicContact CE1-CD1 3.79Å; Y41-L46 HydrophobicContact CE1-CD2 3.5Å; Y41-L46 VanDerWaalsContact CE1-CD2 3.5Å; Y41-L46 HydrophobicContact CE1-CG 4.2Å; Y41-L46 HydrophobicContact CG-CD1 4.29Å; Y41-L46 WeakPolarHBondContact O-CD1 3.33Å; L46-L50 HydrophobicContact CB-CB 4.31Å; L46-L50 HydrophobicContact CD2-CB 3.71Å; L46-L50 HydrophobicContact CD2-CD2 3.89Å; L46-L50 HydrophobicContact CD2-CG 4.3Å
47S75.9Confident81.8Confident70 Ų7069.2 Ų69.249%0.4941%0.411SS..  trans-63.4149.5169.459.20000111.2N49 L50 Q51S47-N49 VanDerWaalsContact C-N 3.26Å; S47-N49 PolarHBondContact O-N 3.44Å; S47-N49 VanDerWaalsContact O-N 3.12Å; S47-L50 PolarHBondContact O-N 3.11Å; S47-L50 WeakPolarHBondContact OG-CD1 3.42Å; S47-Q51 PolarHBondContact O-N 3.39Å
48S75.8Confident81.9Confident77 Ų7767.2 Ų67.254%0.53840%0.395SS..Hα-helixtrans-51.9-39.3-173.653.30000114.2Q51 N52S48-Q51 PolarHBondContact O-N 3.48Å; S48-N52 VanDerWaalsContact O-CG 3.31Å; S48-N52 PolarHBondContact O-N 2.78Å; S48-N52 VanDerWaalsContact O-N 3.08Å; S48-N52 PolarHBondContact O-ND2 3.36Å
49N76.2Confident82.2Confident129 Ų12973 Ų7369%0.6942%0.422SS*.Hα-helixtrans-68-41.8179-67.1-18.6000112.6S47 S53S47-N49 VanDerWaalsContact C-N 3.26Å; S47-N49 PolarHBondContact O-N 3.44Å; S47-N49 VanDerWaalsContact O-N 3.12Å; N49-S53 PolarHBondContact O-N 3.12Å
50L79Confident82.3Confident80 Ų8071.2 Ų71.242%0.41942%0.423SS..Hα-helixtrans-69.7-39.4176.3-95.1131.9000110.8L46 S47 N52 S53 W54L46-L50 HydrophobicContact CB-CB 4.31Å; L46-L50 HydrophobicContact CD2-CB 3.71Å; L46-L50 HydrophobicContact CD2-CD2 3.89Å; L46-L50 HydrophobicContact CD2-CG 4.3Å; S47-L50 PolarHBondContact O-N 3.11Å; S47-L50 WeakPolarHBondContact OG-CD1 3.42Å; L50-N52 VanDerWaalsContact C-N 3.31Å; L50-N52 PolarHBondContact O-N 2.98Å; L50-S53 PolarHBondContact O-N 3.16Å; L50-W54 PolarHBondContact O-N 2.83Å
51Q81.9Confident82.7Confident86 Ų8669.2 Ų69.240%0.40241%0.406SS..Hα-helixtrans-57.9-44.1175.8-169177.38.200111.5I42 S47 S48 S53 W54 S55I42-Q51 HydrophobicContact CG2-CG 4.43Å; S47-Q51 PolarHBondContact O-N 3.39Å; S48-Q51 PolarHBondContact O-N 3.48Å; Q51-S53 PolarHBondContact O-N 3.46Å; Q51-W54 PolarHBondContact O-N 2.78Å; Q51-S55 WeakPolarHBondContact O-CB 3.35Å; Q51-S55 PolarHBondContact O-N 2.97Å; Q51-S55 PolarHBondContact O-OG 3.08Å
52N83Confident83.2Confident108 Ų10869.9 Ų69.958%0.57841%0.411SS*.Hα-helixtrans-63.6-41.2176.5-69.6-19.7000112.7S48 L50 S55 S56S48-N52 VanDerWaalsContact O-CG 3.31Å; S48-N52 PolarHBondContact O-N 2.78Å; S48-N52 VanDerWaalsContact O-N 3.08Å; S48-N52 PolarHBondContact O-ND2 3.36Å; L50-N52 VanDerWaalsContact C-N 3.31Å; L50-N52 PolarHBondContact O-N 2.98Å; N52-S55 PolarHBondContact O-N 2.9Å; N52-S56 WeakPolarHBondContact O-CB 3.49Å; N52-S56 PolarHBondContact O-N 3.36Å
53S84.3Confident83.6Confident79 Ų7972.7 Ų72.755%0.55243%0.426SS*.Hα-helixtrans-64.1-45.9177.4-171.70000111.9N49 L50 Q51 S56 A57N49-S53 PolarHBondContact O-N 3.12Å; L50-S53 PolarHBondContact O-N 3.16Å; Q51-S53 PolarHBondContact O-N 3.46Å; S53-S56 WeakPolarHBondContact O-CB 3.5Å; S53-S56 PolarHBondContact O-N 3.44Å; S53-A57 PolarHBondContact O-N 2.85Å
54W86.8Confident84.3Confident32 Ų3266.5 Ų66.512%0.12140%0.397CS..Hα-helixtrans-68.5-35.5177.7-77.7109.2000113L3 F5 L8 I38 Y41 I42 L50 Q51 S56 A57 L58L3-W54 HydrophobicContact CD2-CH2 3.5Å; L3-W54 HydrophobicContact CD2-CZ2 3.91Å; L3-W54 HydrophobicContact CD2-CZ3 4.32Å; F5-W54 HydrophobicContact CD1-CH2 4.39Å; F5-W54 HydrophobicContact CD1-CZ2 4.43Å; F5-W54 AromaticContact CE1-CH2 3.9Å; F5-W54 HydrophobicContact CE1-CH2 3.9Å; F5-W54 AromaticContact CE1-CZ2 3.52Å; F5-W54 HydrophobicContact CE1-CZ2 3.52Å; F5-W54 HydrophobicContact CZ-CZ2 4.09Å; L8-W54 HydrophobicContact CD2-CH2 4Å; L8-W54 HydrophobicContact CD2-CZ3 3.95Å; I38-W54 HydrophobicContact CD1-CE3 4.49Å; I38-W54 HydrophobicContact CD1-CZ3 4.21Å; I38-W54 HydrophobicContact CG1-CE3 4.19Å; I38-W54 HydrophobicContact CG1-CZ3 3.88Å; I38-W54 HydrophobicContact CG2-CE3 3.75Å; I38-W54 HydrophobicContact CG2-CZ3 4.31Å; Y41-W54 HydrophobicContact CD1-CD2 4.26Å; Y41-W54 AromaticContact CD1-CE2 3.88Å; Y41-W54 HydrophobicContact CD1-CZ2 4.04Å; Y41-W54 HydrophobicContact CE1-CD2 4.38Å; Y41-W54 AromaticContact CE1-CE2 3.59Å; Y41-W54 AromaticContact CE1-CZ2 3.73Å; Y41-W54 HydrophobicContact CE1-CZ2 3.73Å; Y41-W54 AromaticContact CE1-NE1 3.47Å; I42-W54 HydrophobicContact CD1-CB 4.16Å; I42-W54 HydrophobicContact CG1-CB 3.99Å; L50-W54 PolarHBondContact O-N 2.83Å; Q51-W54 PolarHBondContact O-N 2.78Å; W54-S56 VanDerWaalsContact C-N 3.34Å; W54-A57 PolarHBondContact O-N 3.25Å; W54-L58 VanDerWaalsContact O-CB 3.29Å; W54-L58 WeakPolarHBondContact O-CB 3.27Å; W54-L58 PolarHBondContact O-N 2.91Å
55S85.5Confident85Confident50 Ų5063.1 Ų63.135%0.3538%0.377SS..Hα-helixtrans-63.4-39.8171.9-66.10000111.8Q51 N52 L58 Q59Q51-S55 WeakPolarHBondContact O-CB 3.35Å; Q51-S55 PolarHBondContact O-N 2.97Å; Q51-S55 PolarHBondContact O-OG 3.08Å; N52-S55 PolarHBondContact O-N 2.9Å; S55-L58 PolarHBondContact O-N 3.46Å; S55-Q59 WeakPolarHBondContact O-CB 3.34Å; S55-Q59 PolarHBondContact O-N 3.18Å
56S88.1Confident86.1Confident70 Ų7063.7 Ų63.749%0.4936%0.363SS..Hα-helixtrans-65.2-42.8174.4-176.90000112.1N52 S53 W54 Q59 T60N52-S56 WeakPolarHBondContact O-CB 3.49Å; N52-S56 PolarHBondContact O-N 3.36Å; S53-S56 WeakPolarHBondContact O-CB 3.5Å; S53-S56 PolarHBondContact O-N 3.44Å; W54-S56 VanDerWaalsContact C-N 3.34Å; S56-Q59 PolarHBondContact O-N 3.42Å; S56-T60 PolarHBondContact O-N 2.73Å; S56-T60 PolarHBondContact O-OG1 2.87Å
57A87.8Confident87Confident36 Ų3670.7 Ų70.730%0.29839%0.387SS..Hα-helixtrans-63.6-42.617500000112S53 W54 T60 L61S53-A57 PolarHBondContact O-N 2.85Å; W54-A57 PolarHBondContact O-N 3.25Å; A57-T60 WeakPolarHBondContact O-CB 3.31Å; A57-T60 PolarHBondContact O-N 3.33Å; A57-L61 PolarHBondContact O-N 2.85Å
58L91.7Very high87.7Confident23 Ų2367.7 Ų67.712%0.1237%0.366CS..Hα-helixtrans-58.4-48.3174.9-171.885.5000110.7I35 I38 R39 W54 S55 T60 L61 E62I35-L58 HydrophobicContact CG2-CD1 4.17Å; I38-L58 HydrophobicContact CB-CD1 4Å; I38-L58 HydrophobicContact CG2-CB 4.3Å; I38-L58 HydrophobicContact CG2-CD1 3.74Å; R39-L58 HydrophobicContact CG-CD1 3.87Å; R39-L58 HydrophobicContact CG-CD2 4.41Å; W54-L58 VanDerWaalsContact O-CB 3.29Å; W54-L58 WeakPolarHBondContact O-CB 3.27Å; W54-L58 PolarHBondContact O-N 2.91Å; S55-L58 PolarHBondContact O-N 3.46Å; L58-T60 VanDerWaalsContact C-N 3.28Å; L58-T60 PolarHBondContact O-N 3.03Å; L58-L61 PolarHBondContact O-N 3.31Å; L58-E62 WeakPolarHBondContact O-CB 3.39Å; L58-E62 WeakPolarHBondContact O-CG 3.01Å; L58-E62 PolarHBondContact O-N 2.9Å
59Q91.8Very high88.5Confident123 Ų12367.7 Ų67.758%0.57536%0.356SS*.Hα-helixtrans-62.7-35.8179.3-169.7168.714.900112.1S55 S56 N63S55-Q59 WeakPolarHBondContact O-CB 3.34Å; S55-Q59 PolarHBondContact O-N 3.18Å; S56-Q59 PolarHBondContact O-N 3.42Å; Q59-N63 WeakPolarHBondContact O-CB 3.41Å; Q59-N63 PolarHBondContact O-N 3.05Å; Q59-N63 PolarHBondContact O-ND2 2.86Å; Q59-N63 VanDerWaalsContact O-ND2 3.12Å
60T92.1Very high89.2Confident68 Ų6864.1 Ų64.142%0.41734%0.341SS..Hα-helixtrans-65.1-45.3175.2-54.40000111.4S56 A57 L58 N63 E64S56-T60 PolarHBondContact O-N 2.73Å; S56-T60 PolarHBondContact O-OG1 2.87Å; A57-T60 WeakPolarHBondContact O-CB 3.31Å; A57-T60 PolarHBondContact O-N 3.33Å; L58-T60 VanDerWaalsContact C-N 3.28Å; L58-T60 PolarHBondContact O-N 3.03Å; T60-N63 PolarHBondContact O-N 3.35Å; T60-E64 WeakPolarHBondContact O-CG 3.42Å; T60-E64 PolarHBondContact O-N 2.92Å
61L92.3Very high89.7Confident9 Ų963.4 Ų63.45%0.04734%0.337CS..Hα-helixtrans-68.9-37.5178.3-70.9171.6000112.6I12 Y31 I35 I38 A57 L58 E64 A65I12-L61 HydrophobicContact CD1-CD1 3.95Å; I12-L61 HydrophobicContact CD1-CD2 4.26Å; I12-L61 HydrophobicContact CG1-CD1 4.34Å; I12-L61 HydrophobicContact CG1-CD2 4.13Å; I12-L61 HydrophobicContact CG2-CD2 3.94Å; Y31-L61 HydrophobicContact CD1-CD2 4.21Å; Y31-L61 HydrophobicContact CE1-CD2 3.97Å; I35-L61 HydrophobicContact CG1-CB 4.24Å; I38-L61 HydrophobicContact CD1-CD1 3.36Å; A57-L61 PolarHBondContact O-N 2.85Å; L58-L61 PolarHBondContact O-N 3.31Å; L61-E64 PolarHBondContact O-N 2.78Å; L61-A65 WeakPolarHBondContact O-CB 3.28Å; L61-A65 PolarHBondContact O-N 3.17Å
62E93.1Very high90Very high57 Ų5761.2 Ų61.227%0.26633%0.33SS..Hα-helixtrans-62.8-42.8173.6-74.9178.316500111I35 R39 L58 E64 A65 D66I35-E62 HydrophobicContact CD1-CG 4.02Å; I35-E62 HydrophobicContact CG1-CG 4.46Å; R39-E62 IonicContact CZ-OE1 3.05Å; R39-E62 IonicContact NE-OE1 2.61Å; R39-E62 IonicContact NH2-OE1 2.66Å; R39-E62 PolarHBondContact NH2-OE1 2.8Å; L58-E62 WeakPolarHBondContact O-CB 3.39Å; L58-E62 WeakPolarHBondContact O-CG 3.01Å; L58-E62 PolarHBondContact O-N 2.9Å; E62-E64 PolarHBondContact O-N 3.35Å; E62-A65 PolarHBondContact O-N 3.43Å; E62-D66 WeakPolarHBondContact O-CB 3.3Å; E62-D66 PolarHBondContact O-N 2.89Å
63N93.5Very high90.3Very high88 Ų8864.2 Ų64.247%0.47133%0.333SS..Hα-helixtrans-62.5-41.5174.1-72.8-26.9000112.5Q59 T60 R67Q59-N63 WeakPolarHBondContact O-CB 3.41Å; Q59-N63 PolarHBondContact O-N 3.05Å; Q59-N63 PolarHBondContact O-ND2 2.86Å; Q59-N63 VanDerWaalsContact O-ND2 3.12Å; T60-N63 PolarHBondContact O-N 3.35Å; N63-R67 WeakPolarHBondContact O-CG 3.45Å; N63-R67 PolarHBondContact O-N 3.37Å; N63-R67 VanDerWaalsContact O-N 3.09Å
64E92.2Very high90.5Very high36 Ų3665.1 Ų65.117%0.16833%0.331CS..Hα-helixtrans-63.2-45.9174.6-75.2-178.6-156.200111.3R16 Y31 T60 L61 E62 D66 R67 V68R16-E64 IonicContact CZ-OE1 2.71Å; R16-E64 IonicContact CZ-OE2 2.75Å; R16-E64 IonicContact NE-OE1 2.64Å; R16-E64 IonicContact NE-OE2 3.61Å; R16-E64 PolarHBondContact NE-OE2 3.38Å; R16-E64 IonicContact NH2-OE1 3.73Å; R16-E64 PolarHBondContact NH2-OE1 2.94Å; R16-E64 IonicContact NH2-OE2 3.52Å; Y31-E64 HydrophobicContact CE1-CB 3.76Å; Y31-E64 WeakPolarHBondContact CE1-OE2 3.33Å; Y31-E64 PolarHBondContact OH-OE2 3.08Å; T60-E64 WeakPolarHBondContact O-CG 3.42Å; T60-E64 PolarHBondContact O-N 2.92Å; L61-E64 PolarHBondContact O-N 2.78Å; E62-E64 PolarHBondContact O-N 3.35Å; E64-D66 VanDerWaalsContact C-N 3.33Å; E64-D66 PolarHBondContact O-N 3.21Å; E64-R67 WeakPolarHBondContact O-CB 3.43Å; E64-R67 PolarHBondContact O-N 2.87Å; E64-V68 WeakPolarHBondContact O-CG2 3.49Å; E64-V68 PolarHBondContact O-N 2.82Å; E64-V68 VanDerWaalsContact O-N 3.1Å
65A92.1Very high90.5Very high1 Ų165.7 Ų65.71%0.00834%0.336CS..Hα-helixtrans-62.9-38.8178.100000112.2Y31 I35 L61 E62 V68 K69Y31-A65 HydrophobicContact CD1-CB 4.45Å; Y31-A65 HydrophobicContact CG-CB 4.08Å; I35-A65 HydrophobicContact CD1-CB 4.26Å; L61-A65 WeakPolarHBondContact O-CB 3.28Å; L61-A65 PolarHBondContact O-N 3.17Å; E62-A65 PolarHBondContact O-N 3.43Å; A65-V68 PolarHBondContact O-N 2.98Å; A65-K69 WeakPolarHBondContact O-CG 3.27Å; A65-K69 PolarHBondContact O-N 2.99Å
66D92.9Very high90.5Very high84 Ų8467.9 Ų67.945%0.44934%0.344SS..Hα-helixtrans-69.9-33177.5-78.1-14.1000112.6E62 E64 V68 K69 S70E62-D66 WeakPolarHBondContact O-CB 3.3Å; E62-D66 PolarHBondContact O-N 2.89Å; E64-D66 VanDerWaalsContact C-N 3.33Å; E64-D66 PolarHBondContact O-N 3.21Å; D66-V68 VanDerWaalsContact C-N 3.34Å; D66-K69 PolarHBondContact O-N 3.25Å; D66-K69 IonicContact OD1-NZ 3.04Å; D66-K69 PolarHBondContact OD1-NZ 3.19Å; D66-S70 PolarHBondContact O-N 3.22Å; D66-S70 PolarHBondContact O-OG 3.31Å
67R91.5Very high90.4Very high179 Ų17970 Ų7068%0.67535%0.346SS*.Hα-helixtrans-61.9-41.5168.6-72.3172.9-179.3-170-0.1111.7N63 E64 S70 I71N63-R67 WeakPolarHBondContact O-CG 3.45Å; N63-R67 PolarHBondContact O-N 3.37Å; N63-R67 VanDerWaalsContact O-N 3.09Å; E64-R67 WeakPolarHBondContact O-CB 3.43Å; E64-R67 PolarHBondContact O-N 2.87Å; R67-S70 WeakPolarHBondContact CA-OG 3.35Å; R67-S70 PolarHBondContact O-N 3.08Å; R67-S70 PolarHBondContact O-OG 2.84Å; R67-I71 VanDerWaalsContact O-CG1 3.29Å; R67-I71 WeakPolarHBondContact O-CG1 3.4Å; R67-I71 PolarHBondContact O-N 3.15Å
68V91.2Very high90.2Very high7 Ų773.1 Ų73.14%0.04236%0.357CS..Hα-helixtrans-64.1-42.1175178.10000110.6A19 Y24 A27 L28 Y31 E64 A65 D66 S70 I71 V72A19-V68 HydrophobicContact CB-CG2 4.05Å; Y24-V68 HydrophobicContact CD1-CG1 3.99Å; Y24-V68 HydrophobicContact CG-CG1 4.46Å; A27-V68 HydrophobicContact CB-CG1 4.41Å; L28-V68 HydrophobicContact CD1-CG1 4.38Å; L28-V68 HydrophobicContact CD2-CB 4.02Å; L28-V68 HydrophobicContact CD2-CG1 3.85Å; L28-V68 HydrophobicContact CG-CB 4.47Å; L28-V68 HydrophobicContact CG-CG1 3.74Å; Y31-V68 HydrophobicContact CE2-CG2 4.04Å; E64-V68 WeakPolarHBondContact O-CG2 3.49Å; E64-V68 PolarHBondContact O-N 2.82Å; E64-V68 VanDerWaalsContact O-N 3.1Å; A65-V68 PolarHBondContact O-N 2.98Å; D66-V68 VanDerWaalsContact C-N 3.34Å; V68-S70 PolarHBondContact O-N 3.07Å; V68-I71 PolarHBondContact O-N 2.94Å; V68-V72 WeakPolarHBondContact O-CG2 3.44Å; V68-V72 PolarHBondContact O-N 3.28Å
69K91.7Very high89.6Confident76 Ų7674.4 Ų74.433%0.3337%0.371SS..Hα-helixtrans-62.7-39.4174.9-68.8177-159.3148.90112.7L28 A65 D66 I71 V72 R73L28-K69 HydrophobicContact CD1-CG 4.27Å; L28-K69 HydrophobicContact CD2-CG 3.67Å; A65-K69 WeakPolarHBondContact O-CG 3.27Å; A65-K69 PolarHBondContact O-N 2.99Å; D66-K69 PolarHBondContact O-N 3.25Å; D66-K69 IonicContact OD1-NZ 3.04Å; D66-K69 PolarHBondContact OD1-NZ 3.19Å; K69-I71 VanDerWaalsContact C-N 3.33Å; K69-V72 PolarHBondContact O-N 2.77Å; K69-R73 WeakPolarHBondContact O-CG 3.4Å; K69-R73 PolarHBondContact O-N 3.33Å
70S90.4Very high88.6Confident55 Ų5575.2 Ų75.239%0.38538%0.379SS..Hα-helixtrans-65-39.6177.761.80000111.3D66 R67 V68 R73 L74D66-S70 PolarHBondContact O-N 3.22Å; D66-S70 PolarHBondContact O-OG 3.31Å; R67-S70 WeakPolarHBondContact CA-OG 3.35Å; R67-S70 PolarHBondContact O-N 3.08Å; R67-S70 PolarHBondContact O-OG 2.84Å; V68-S70 PolarHBondContact O-N 3.07Å; S70-R73 PolarHBondContact O-N 2.88Å; S70-L74 WeakPolarHBondContact O-CG 3.46Å; S70-L74 PolarHBondContact O-N 3.05Å
71I89.6Confident87.3Confident64 Ų6476.8 Ų76.833%0.32839%0.393SS..Hα-helixtrans-60.3-47.2173.7-66.4163.7000110.4Y24 R67 V68 K69 R73 L74 L75Y24-I71 HydrophobicContact CD1-CG2 4.32Å; Y24-I71 HydrophobicContact CD2-CG2 4.5Å; Y24-I71 HydrophobicContact CE1-CD1 4.45Å; Y24-I71 HydrophobicContact CE1-CG2 3.72Å; Y24-I71 HydrophobicContact CE2-CG2 3.95Å; R67-I71 VanDerWaalsContact O-CG1 3.29Å; R67-I71 WeakPolarHBondContact O-CG1 3.4Å; R67-I71 PolarHBondContact O-N 3.15Å; V68-I71 PolarHBondContact O-N 2.94Å; K69-I71 VanDerWaalsContact C-N 3.33Å; I71-R73 VanDerWaalsContact C-N 3.32Å; I71-R73 PolarHBondContact O-N 3.04Å; I71-L74 PolarHBondContact O-N 3.25Å; I71-L75 HydrophobicContact CG2-CD1 3.84Å; I71-L75 HydrophobicContact CG2-CG 4.34Å; I71-L75 VanDerWaalsContact O-CG 3.26Å; I71-L75 WeakPolarHBondContact O-CG 3.22Å; I71-L75 PolarHBondContact O-N 3.32Å
72V89.3Confident85.1Confident41 Ų4178.5 Ų78.525%0.24841%0.413CS..Hα-helixtrans-60.4-39.6177.5173.80000112.3Y24 L28 V68 K69 L75 N76Y24-V72 VanDerWaalsContact CB-CG2 3.44Å; Y24-V72 HydrophobicContact CD2-CG2 4.33Å; Y24-V72 HydrophobicContact CG-CG2 3.98Å; L28-V72 HydrophobicContact CD1-CG2 4.47Å; V68-V72 WeakPolarHBondContact O-CG2 3.44Å; V68-V72 PolarHBondContact O-N 3.28Å; K69-V72 PolarHBondContact O-N 2.77Å; V72-L75 PolarHBondContact O-N 3.27Å; V72-N76 PolarHBondContact O-N 2.85Å; V72-N76 VanDerWaalsContact O-N 3.09Å; V72-N76 PolarHBondContact O-ND2 3.3Å
73R88.2Confident82.5Confident170 Ų17081.8 Ų81.864%0.64244%0.442SS*.Hα-helixtrans-63-48.5175.5-75.2-179.2-175.6165.71.8111.9K69 S70 I71 L75 N76 E77K69-R73 WeakPolarHBondContact O-CG 3.4Å; K69-R73 PolarHBondContact O-N 3.33Å; S70-R73 PolarHBondContact O-N 2.88Å; I71-R73 VanDerWaalsContact C-N 3.32Å; I71-R73 PolarHBondContact O-N 3.04Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 PolarHBondContact O-N 3.44Å; R73-N76 PolarHBondContact O-N 3.39Å; R73-N76 VanDerWaalsContact O-N 3.13Å; R73-E77 WeakPolarHBondContact O-CG 3.44Å; R73-E77 PolarHBondContact O-N 2.91Å
74L88.5Confident79.8Confident98 Ų9880.9 Ų80.951%0.51345%0.453SS..Hα-helixtrans-59.1-41.5177.6-71.2170.2000111.7S70 I71 N76 E77 L78S70-L74 WeakPolarHBondContact O-CG 3.46Å; S70-L74 PolarHBondContact O-N 3.05Å; I71-L74 PolarHBondContact O-N 3.25Å; L74-N76 VanDerWaalsContact C-N 3.33Å; L74-N76 PolarHBondContact O-N 2.82Å; L74-E77 PolarHBondContact O-N 3.15Å; L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 VanDerWaalsContact O-CG 3.24Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 3.21Å
75L87.7Confident77.1Confident44 Ų4485 Ų8523%0.2348%0.482CS..Hα-helixtrans-63.5-37.7177-69.1169.6000112.5Y24 I71 V72 R73 A79 F94Y24-L75 HydrophobicContact CD2-CD1 3.75Å; Y24-L75 HydrophobicContact CE2-CD1 3.33Å; I71-L75 HydrophobicContact CG2-CD1 3.84Å; I71-L75 HydrophobicContact CG2-CG 4.34Å; I71-L75 VanDerWaalsContact O-CG 3.26Å; I71-L75 WeakPolarHBondContact O-CG 3.22Å; I71-L75 PolarHBondContact O-N 3.32Å; V72-L75 PolarHBondContact O-N 3.27Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 PolarHBondContact O-N 3.44Å; L75-A79 WeakPolarHBondContact O-CB 3.22Å; L75-A79 PolarHBondContact O-N 3.17Å; L75-F94 HydrophobicContact CD2-CD2 3.57Å; L75-F94 HydrophobicContact CD2-CE2 3.26Å; L75-F94 HydrophobicContact CD2-CG 4.38Å; L75-F94 HydrophobicContact CD2-CZ 3.84Å
76N84.9Confident74.2Confident96 Ų9693.7 Ų93.751%0.51352%0.522SS..Hα-helixtrans-71.7-40.6175.6-70.8-22.9000111.9V72 R73 L74 L78 A79 D80V72-N76 PolarHBondContact O-N 2.85Å; V72-N76 VanDerWaalsContact O-N 3.09Å; V72-N76 PolarHBondContact O-ND2 3.3Å; R73-N76 PolarHBondContact O-N 3.39Å; R73-N76 VanDerWaalsContact O-N 3.13Å; L74-N76 VanDerWaalsContact C-N 3.33Å; L74-N76 PolarHBondContact O-N 2.82Å; N76-L78 VanDerWaalsContact C-N 3.32Å; N76-L78 PolarHBondContact O-N 2.81Å; N76-A79 WeakPolarHBondContact O-CB 3.46Å; N76-A79 PolarHBondContact O-N 3.38Å; N76-A79 VanDerWaalsContact O-N 3.15Å; N76-D80 PolarHBondContact O-N 3.38Å
77E86.1Confident71.4Confident114 Ų11495.3 Ų95.353%0.53353%0.534SS..Hα-helixtrans-61.9-40.8175.2-73170.6-16900111.4R73 L74 A79 D80 S81R73-E77 WeakPolarHBondContact O-CG 3.44Å; R73-E77 PolarHBondContact O-N 2.91Å; L74-E77 PolarHBondContact O-N 3.15Å; E77-A79 VanDerWaalsContact C-N 3.33Å; E77-A79 PolarHBondContact O-N 3.43Å; E77-D80 PolarHBondContact O-N 3.44Å; E77-S81 WeakPolarHBondContact O-CB 3.39Å; E77-S81 PolarHBondContact O-N 3.11Å; E77-S81 PolarHBondContact O-OG 3.12Å
78L83.4Confident68.8Low102 Ų10293.9 Ų93.953%0.53454%0.538SS..Hα-helixtrans-65.4-34.7173.7-72.3169.3000112.3L74 N76 F94L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 VanDerWaalsContact O-CG 3.24Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 3.21Å; N76-L78 VanDerWaalsContact C-N 3.32Å; N76-L78 PolarHBondContact O-N 2.81Å; L78-F94 HydrophobicContact CB-CZ 4.41Å; L78-F94 HydrophobicContact CD1-CE1 4.03Å; L78-F94 HydrophobicContact CD1-CZ 4.1Å
79A79.3Confident66Low50 Ų5098.1 Ų98.141%0.41358%0.575SS.*Hα-helixtrans-70.6-41.6175.700000112.4L75 N76 E77 G82L75-A79 WeakPolarHBondContact O-CB 3.22Å; L75-A79 PolarHBondContact O-N 3.17Å; N76-A79 WeakPolarHBondContact O-CB 3.46Å; N76-A79 PolarHBondContact O-N 3.38Å; N76-A79 VanDerWaalsContact O-N 3.15Å; E77-A79 VanDerWaalsContact C-N 3.33Å; E77-A79 PolarHBondContact O-N 3.43Å; A79-G82 PolarHBondContact O-N 3.24Å
80D70.8Confident63Low141 Ų14197.6 Ų97.675%0.75459%0.59SS**Hα-helixtrans-72.8-28.7-179.7-78.5-16.2000112.8N76 E77 G82N76-D80 PolarHBondContact O-N 3.38Å; E77-D80 PolarHBondContact O-N 3.44Å; D80-G82 PolarHBondContact O-N 3.15Å
81S63.6Low60.3Low101 Ų101101.6 Ų101.671%0.70661%0.607SS**THydrogen-bonded Turntrans-72.6-15.5176.9-54.60000113.1E77 S83E77-S81 WeakPolarHBondContact O-CB 3.39Å; E77-S81 PolarHBondContact O-N 3.11Å; E77-S81 PolarHBondContact O-OG 3.12Å; S81-S83 PolarHBondContact O-N 3.03Å
82G48.1Very low57.6Low45 Ų45109.1 Ų109.146%0.46463%0.632SS.*  trans-97.361.6-178.200000113.4A79 D80 G84A79-G82 PolarHBondContact O-N 3.24Å; D80-G82 PolarHBondContact O-N 3.15Å; G82-G84 PolarHBondContact O-N 3.1Å
83S37.3Very low55Low126 Ų126114.3 Ų114.388%0.88166%0.657SS**THydrogen-bonded Turntrans-67.485.1167.862.50000110.2S81S81-S83 PolarHBondContact O-N 3.03Å
84G36.7Very low52.3Low68 Ų68112.5 Ų112.570%0.70165%0.654SS**THydrogen-bonded Turntrans170.52.9-178.300000118.6G82G82-G84 PolarHBondContact O-N 3.1Å
85T36.6Very low49.5Very low124 Ų124117.5 Ų117.576%0.76167%0.671SS**SBendtrans-156131.2169.1-26.30000110.6V87T85-V87 PolarHBondContact O-N 3.35Å
86E29.8Very low47.1Very low183 Ų183120.8 Ų120.886%0.85570%0.698SS**  trans-52.5109.1176.3-67.8-175.715100111.7
87V35.6Very low44.5Very low117 Ų117123.1 Ų123.171%0.70971%0.71SS**  trans-98.594.9169.7-178.50000108.4T85 A89T85-V87 PolarHBondContact O-N 3.35Å; V87-A89 PolarHBondContact O-N 3.33Å
88I36.5Very low42Very low149 Ų149124.9 Ų124.976%0.76472%0.723SS**  trans-71.1111.6163.8-63.6174.7000107.2G90I88-G90 PolarHBondContact O-N 3.34Å
89A31.1Very low39.6Very low97 Ų97129.1 Ų129.180%0.80274%0.74SS**SBendtrans-55123.8175.300000111.6V87V87-A89 PolarHBondContact O-N 3.33Å
90G30.4Very low37.3Very low64 Ų64131 Ų13166%0.6675%0.751SS**SBendtrans138.1108.2170.200000112.7I88I88-G90 PolarHBondContact O-N 3.34Å
91N33.5Very low35.5Very low139 Ų139131.3 Ų131.374%0.74375%0.752SS**  trans59.483.9164.7-64.418.5000115.8
92R32.5Very low34.2Very low223 Ų223134.8 Ų134.884%0.84276%0.762SS**  trans-158.6119.9145.4-110167.9-130.7-162.74.3111.6F94R92-F94 PolarHBondContact O-N 3.27Å
93I34Very low33.3Very low150 Ų150138.3 Ų138.377%0.76978%0.777SS**PPolyproline II helixtrans-52.8125.7170.1-68.5163.1000108.8K95I93-K95 PolarHBondContact O-N 2.99Å
94F30.9Very low33Very low132 Ų132137.4 Ų137.458%0.57977%0.77SS**PPolyproline II helixtrans-54.8127.5172.4-102-106.7000110.3L75 L78 R92L75-F94 HydrophobicContact CD2-CD2 3.57Å; L75-F94 HydrophobicContact CD2-CE2 3.26Å; L75-F94 HydrophobicContact CD2-CG 4.38Å; L75-F94 HydrophobicContact CD2-CZ 3.84Å; L78-F94 HydrophobicContact CB-CZ 4.41Å; L78-F94 HydrophobicContact CD1-CE1 4.03Å; L78-F94 HydrophobicContact CD1-CZ 4.1Å; R92-F94 PolarHBondContact O-N 3.27Å
95K30.7Very low32.9Very low202 Ų202140 Ų14088%0.87878%0.778SS**PPolyproline II helixtrans-74.8117.9156-75.9-174.1172-1690106.9I93 N97I93-K95 PolarHBondContact O-N 2.99Å; K95-N97 PolarHBondContact O-N 3.43Å
96S37.3Very low32.6Very low113 Ų113139.8 Ų139.879%0.7978%0.777SS**  trans-81.5109.416852.50000109.1
97N30.8Very low32.7Very low146 Ų146138.5 Ų138.578%0.78177%0.774SS**  trans-94.9142.1147.3-84.8-0.1000107.2K95K95-N97 PolarHBondContact O-N 3.43Å
98D32.6Very low32.5Very low150 Ų150136.2 Ų136.280%0.80277%0.767SS**  trans68.696168.5-54-27.5000117.3
99E32.7Very low32.3Very low191 Ų191135.1 Ų135.189%0.89376%0.763SS**  -169.3129.1114.5-113.7176.8151.600111.8
100S32.1Very low32.4Very low91 Ų91138.7 Ų138.764%0.63676%0.763SS**  trans-49161163.241.50000113.5
101D33.4Very low32.3Very low147 Ų147146.1 Ų146.179%0.78677%0.771SS**  trans84.190.9170.9-52.6-30.5000116
102L34.6Very low32.3Very low173 Ų173149.5 Ų149.591%0.90678%0.779SS**  trans-177.9139.1133.6-91.9148.8000111.1
103P30.6Very low32.4Very low119 Ų119143.9 Ų143.977%0.77378%0.781SS**  trans-86134.6-171.133.4-31.1000113.2
104S30.2Very low32.3Very low107 Ų107140.2 Ų140.275%0.74878%0.78SS**  trans33.3108.5143.9162.50000118.5
105S34.7Very low32.5Very low124 Ų124140.1 Ų140.187%0.86779%0.79SS**  trans-129.3114.8141.164.10000110.7
106T30.5Very low32.7Very low118 Ų118136.5 Ų136.572%0.72479%0.787SS**  trans-77.3119-176.7-48.10000110.8
107I32.9Very low32.4Very low157 Ų157137.9 Ų137.981%0.80579%0.791SS**  trans-137.694.2152.3-57.3-178.7000107.7
108A31.5Very low32.7Very low68 Ų68136.6 Ų136.656%0.56279%0.793SS**  trans-87.5107.8170.600000108.9H110A108-H110 VanDerWaalsContact C-N 3.34Å; A108-H110 PolarHBondContact O-N 2.88Å; A108-H110 VanDerWaalsContact O-N 3.15Å
109D32.1Very low32.8Very low127 Ų127138 Ų13868%0.67979%0.794SS**  trans-82.482.6167.9-113.4-35.6000109R111D109-R111 IonicContact OD1-NE 3.19Å
110H32.7Very low32.6Very low171 Ų171136.3 Ų136.379%0.79279%0.791SS**  trans-87.9106.8162.8-73-72.2000108.8A108A108-H110 VanDerWaalsContact C-N 3.34Å; A108-H110 PolarHBondContact O-N 2.88Å; A108-H110 VanDerWaalsContact O-N 3.15Å
111R29Very low32.8Very low220 Ų220138 Ų13883%0.8380%0.798SS**  trans-118.974.7163-65.6-171.5-167-179.74.5110.1D109D109-R111 IonicContact OD1-NE 3.19Å
112F33Very low32.7Very low210 Ų210139.2 Ų139.292%0.92180%0.799SS**  trans-104.7108.9152.5-105.4-90.4000107G114F112-G114 PolarHBondContact O-N 3.3Å; F112-G114 VanDerWaalsContact O-N 3.08Å
113A33.6Very low32.7Very low106 Ų106137.2 Ų137.288%0.87679%0.794SS**  trans-73.59617600000109.6
114G31.9Very low32.9Very low72 Ų72141.1 Ų141.174%0.74280%0.798SS**PPolyproline II helixtrans-76.6124.9163.900000110.6F112F112-G114 PolarHBondContact O-N 3.3Å; F112-G114 VanDerWaalsContact O-N 3.08Å
115T35.2Very low32.8Very low130 Ų130147.8 Ų147.880%0.79881%0.807SS**PPolyproline II helixtrans-57.8141.417141.70000112.4
116P34.5Very low32.9Very low126 Ų126150 Ų15082%0.81881%0.807SS**PPolyproline II helixtrans-79.4130.8176.831.6-30.4000111.1S118P116-S118 PolarHBondContact O-N 3.03Å
117V31.3Very low32.9Very low143 Ų143156 Ų15687%0.86782%0.817SS**PPolyproline II helixtrans-65.6118170.2176.50000108.7
118S36.7Very low32.9Very low118 Ų118152.6 Ų152.683%0.82582%0.821SS**PPolyproline II helixtrans-94.1135.6172.2-141.90000110.9P116P116-S118 PolarHBondContact O-N 3.03Å
119H34.9Very low33.1Very low180 Ų180153 Ų15383%0.83383%0.831SS**PPolyproline II helixtrans-52.2133.1-173-85.7-95000115
120N29.8Very low33.1Very low155 Ų155155.4 Ų155.483%0.82984%0.838SS**  trans-77.8112.8171.3-153.11.7000109
121V35.6Very low33.2Very low127 Ų127159.1 Ų159.177%0.7785%0.845SS**  trans-117.2113.3163.9176.60000108.1
122Q30.9Very low33.4Very low173 Ų173155.7 Ų155.781%0.80884%0.838SS**  trans-56.7131.2174.6-67.2165-25.800110.9
123T35.8Very low33.6Very low131 Ų131156.4 Ų156.480%0.80484%0.835SS**  trans-161.5110.6139.922.20000112.3
124K34.2Very low33.8Very low200 Ų200156.9 Ų156.987%0.8783%0.829SS**  trans42.8107.9144.1-71.9-180175.41760120.3
125R28.9Very low33.9Very low248 Ų248162.6 Ų162.694%0.93683%0.834SS**  trans-51.7130.6150.1-79.6174.8156.2171.4-5.2112.1
126I36.7Very low34Very low169 Ų169163.4 Ų163.487%0.86784%0.839SS**  trans-129.1131151.5-64-178.7000108.4
127R29.9Very low34.1Very low246 Ų246164.2 Ų164.293%0.92884%0.841SS**  trans-79.2154.9178.1-77.7172.3160.3174-6.2111.5
128G33.4Very low34.4Very low85 Ų85163.2 Ų163.288%0.87684%0.84SS**  trans104.3137.1160.400000112.8
129G34.1Very low34.3Very low76 Ų76160.9 Ų160.978%0.78484%0.835SS**  cis-174.9161.24.500000108.8
130H33Very low34.4Very low177 Ų177158.7 Ų158.782%0.81983%0.834SS**  trans-40.3136.3174.8-116-56.3000115.2
131R34.9Very low34.6Very low249 Ų249162.8 Ų162.894%0.9484%0.838SS**  trans-157.8123.2138.1-127.4173.8175.8169.2-1.7112.8
132E32.9Very low34.5Very low149 Ų149162.2 Ų162.270%0.69684%0.84SS**  trans-82.1166.6171.5-68-174.5139.800113.1
133R38.1Very low34.9Very low224 Ų224160 Ų16085%0.84584%0.837SS**  trans109.6157146.9-64.4-170.5173.1-157.4-1.8116.8
134P36.8Very low34.8Very low116 Ų116162.3 Ų162.375%0.75384%0.839SS**  -140.3-176.6-51.940.4-22.4000113.1
135K33.9Very low35Very low193 Ų193160 Ų16084%0.83984%0.837SS**  trans-40.2146.5177.2-59.3172.1177.3178.30117.6
136T38.3Very low35.3Very low147 Ų147155.6 Ų155.690%0.90283%0.831SS**  trans-127.8140.9150.447.50000111
137V36.5Very low35.3Very low142 Ų142153 Ų15386%0.86183%0.828SS**  trans-109.3139.1-173.6166.80000108.9
138S37.5Very low35.5Very low123 Ų123151.1 Ų151.186%0.8683%0.826SS**  trans176.1133.2156164.60000106.7
139G35.1Very low35.6Very low69 Ų69153.7 Ų153.771%0.71183%0.825SS**  cis1801489.700000107.2
140T35.6Very low35.6Very low134 Ų134158.7 Ų158.782%0.82283%0.827SS**  trans-54.5147.5-176.648.90000116.2
141R35.3Very low35.7Very low240 Ų240155.3 Ų155.391%0.90682%0.824SS**  -174.7116119.9-104.4173.3175.4-176.6-1.5113.3
142S31.8Very low35.8Very low115 Ų115150.5 Ų150.580%0.80481%0.812SS**  trans-81.3140.4160.7-4.40000109.8
143V39.6Very low36.1Very low126 Ų126150.7 Ų150.776%0.76482%0.817SS**  trans-146.7106.6155.6-177.40000108.5
144E34.2Very low36.2Very low180 Ų180147.2 Ų147.284%0.84181%0.811SS**  trans-71.3141.1149.6-70.5175.5140.300108.3
145N37.6Very low36.1Very low152 Ų152146.4 Ų146.481%0.81381%0.808SS**  trans-162.1133143.7-102-23000112.9
146L37Very low36.5Very low156 Ų156143 Ų14382%0.81781%0.809SS**  trans-65.2154.1170.8-62.492.8000111.9
147S36.3Very low36.4Very low114 Ų114143.3 Ų143.380%0.79781%0.805SS**  178.1134.2116.655.60000112.9
148K33.2Very low36.5Very low206 Ų206148.2 Ų148.290%0.89681%0.808SS**  trans-56.7143.1163.9-72.6166.4169.9172.70111.7
149V36.3Very low36.4Very low140 Ų140146 Ų14685%0.84880%0.804SS**  trans-137.9119.1149.9179.60000109.3
150Q33.8Very low36.4Very low180 Ų180154.9 Ų154.984%0.84182%0.816SS**  trans-105.2152.6163.1-91.2-179.1-25.900108.9
151S35.7Very low36.3Very low106 Ų106153.2 Ų153.274%0.74182%0.816SS**  trans105.2134.4145.481.20000120.6
152H36.2Very low36.5Very low148 Ų148146.7 Ų146.769%0.68581%0.814SS**  trans94.3104.4144.3-80.1-1000122
153N38.5Very low36.6Very low153 Ų153144.7 Ų144.782%0.81881%0.811SS**  -174.7111.7112.7-93.9-10000107.5
154Q40.9Very low36.5Very low152 Ų152150 Ų15071%0.7182%0.817SS**  36.9131.879.2-66.3-167.64400112.7
155S35.6Very low36.6Very low99 Ų99150.5 Ų150.569%0.69282%0.817SS**  cis173.6136.6-4.647.20000104.3
156S40.6Very low36.3Very low122 Ų122148.9 Ų148.985%0.85382%0.817SS**  trans179.6121.1141.955.20000112.8
157D37.8Very low36.4Very low153 Ų153147.3 Ų147.382%0.81882%0.819SS**  trans-39.5147.2161-76.3-54.5000116
158R38.8Very low36.2Very low245 Ų245147.8 Ų147.893%0.92582%0.817SS**  170.5125.1107.6-91.4175.7177.1175.3-0.3110.3
159G34.8Very low36.7Very low76 Ų76145.3 Ų145.378%0.78481%0.813SS**  trans-84.8-178.1-17300000116.3
160R35.1Very low36.8Very low255 Ų255144.1 Ų144.196%0.96281%0.808SS**  trans-169.8130.7142.2-132.3167.9168.7166.6-5.2110.9
161A33.6Very low36.6Very low99 Ų99143.3 Ų143.382%0.81881%0.81SS**  trans-86143.3171.300000111.7
162A39.7Very low36.7Very low104 Ų104149.2 Ų149.286%0.8682%0.816SS**  trans174.5124.1151.700000105.9
163G32.7Very low36.7Very low73 Ų73147.7 Ų147.775%0.75382%0.822SS**  cis102.693.739.900000109
164R37.6Very low36.5Very low236 Ų236143.9 Ų143.989%0.89182%0.819SS**  trans173.8140.9162.6-107.6171.9157.4172-4.5110.2
165K36.1Very low36.1Very low191 Ų191141.4 Ų141.483%0.8382%0.824SS**  cis-179.1133.6-22.7-112.2-178.8-176.5-1740103
166S32.8Very low36Very low118 Ų118146.4 Ų146.483%0.82583%0.834SS**  trans-70.3147.9170.649.80000111.9
167S38.9Very low35.4Very low123 Ų123148.3 Ų148.386%0.8683%0.833SS**  trans-130.7117.2163.8570000110.6
168V32.8Very low35.2Very low124 Ų124150.2 Ų150.275%0.75284%0.837SS**  trans-102.1154.3169.6174.10000107.6
169L42.7Very low34.7Very low155 Ų155147 Ų14781%0.81283%0.833SS**  trans136.5157.7141.2-73.6168.6000112.6
170P38.5Very low34.3Very low115 Ų115149.3 Ų149.375%0.74783%0.832SS**  cis-136.2167.7-1926.5-4.3000115
171N29.3Very low34Very low163 Ų163143.5 Ų143.587%0.87282%0.82SS**  trans-83.8144.4174.9-155.69.3000111.5
172R38.1Very low33.7Very low229 Ų229145.3 Ų145.386%0.86482%0.821SS**  trans-160.4124.7158.3-141.2174172.1-179.6-3.9114.6
173S37.2Very low33.3Very low117 Ų117145 Ų14582%0.81882%0.819SS**  trans61.1138.7155.4540000118.6
174G33.6Very low33.3Very low73 Ų73151.2 Ų151.275%0.75383%0.825SS**  cis159123.17.600000108.6
175A31.2Very low32.9Very low100 Ų100148 Ų14883%0.82683%0.825SS**  trans17126.4161.300000122.2
176K33.4Very low32.7Very low203 Ų203147 Ų14788%0.88382%0.821SS**  -178.6147.1102-106.3178177179.10113.1
177L29.9Very low32.7Very low162 Ų162147.3 Ų147.385%0.84882%0.82SS**  trans-62.8148.6178.7-67.489.4000113.7
178Q32.3Very low32.4Very low194 Ų194147.6 Ų147.691%0.90782%0.817SS**  -168.7136.2115.7-112.5170.3-0.500112.2
179E27.7Very low32.8Very low177 Ų177149.4 Ų149.483%0.82782%0.817SS**  trans-59.6148.3171.1-65.7164.5137.800111.6
180T27Very low32.8Very low124 Ų124149.7 Ų149.776%0.76181%0.814SS**  179.1126.1125.235.50000112.2
181N29Very low33.2Very low133 Ų133153.5 Ų153.571%0.71182%0.822SS**  trans70.4100.5135.4-61.7-12.9000121.1
182T27.4Very low34.4Very low138 Ų138148.6 Ų148.685%0.84780%0.798SS**  38.499.4118.8590000117.3
183A32.1Very low35.4Very low98 Ų98143.5 Ų143.581%0.8179%0.787SS**  trans-138.5129.1158.500000109.7
184K31.2Very low36.6Very low203 Ų203140 Ų14088%0.88376%0.756SS**  trans-59.3129.4-171.1-67.1165172.5175.80112.5K186K184-K186 PolarHBondContact O-N 2.59Å
185D30.7Very low37.8Very low167 Ų167139.2 Ų139.289%0.89374%0.739SS**  trans-61.7111.1166.7-73.5-43.2000110.6
186K30.7Very low39.1Very low171 Ų171139 Ų13974%0.74374%0.738SS**  trans-98.9138.1153.9-75.4-172.2174.5-1690107.1K184 V188K184-K186 PolarHBondContact O-N 2.59Å; K186-V188 PolarHBondContact O-N 3Å; K186-V188 VanDerWaalsContact O-N 3.15Å
187P33.7Very low40.6Very low124 Ų124132.5 Ų132.581%0.80573%0.729SS**  trans-67.8117.5174.728.6-29.5000108.1E189P187-E189 PolarHBondContact O-N 2.95Å
188V32.9Very low42.4Very low130 Ų130128.1 Ų128.179%0.78870%0.701SS**  trans-66.9113.4169.8176.60000106.7K186 E190K186-V188 PolarHBondContact O-N 3Å; K186-V188 VanDerWaalsContact O-N 3.15Å; V188-E190 VanDerWaalsContact C-N 3.26Å; V188-E190 PolarHBondContact O-N 3Å
189E40.9Very low44.5Very low161 Ų161122.8 Ų122.875%0.75268%0.679SS**  trans-64.892165.1-76.5-173.3158.900107.6P187 Q191P187-E189 PolarHBondContact O-N 2.95Å; E189-Q191 PolarHBondContact O-N 3.34Å
190E41.2Very low47Very low161 Ų161120.6 Ų120.675%0.75267%0.667SS**  trans-71.495.6171.6-154.9172-14900107V188 T192V188-E190 VanDerWaalsContact C-N 3.26Å; V188-E190 PolarHBondContact O-N 3Å; E190-T192 PolarHBondContact O-N 3.26Å
191Q47.2Very low49.5Very low196 Ų196122 Ų12292%0.91667%0.665SS**  trans-6487.3175.3-161.7174.112.100107.9E189 D193E189-Q191 PolarHBondContact O-N 3.34Å; Q191-D193 PolarHBondContact O-N 3.43Å
192T54.9Low51.9Low59 Ų59117 Ų11736%0.36264%0.637SS.*  trans-69.6119.4-178.7250000108.4E190 W194E190-T192 PolarHBondContact O-N 3.26Å; T192-W194 PolarHBondContact O-N 2.77Å; T192-W194 PolarHBondContact O-NE1 3.07Å; T192-W194 PolarHBondContact OG1-NE1 2.78Å
193D60.1Low54.5Low122 Ų122110.9 Ų110.965%0.65260%0.6SS**  trans-73.493.4177.6-173.77.7000110.1Q191 S195Q191-D193 PolarHBondContact O-N 3.43Å; D193-S195 VanDerWaalsContact CG-OG 3.28Å; D193-S195 PolarHBondContact O-N 3.11Å; D193-S195 VanDerWaalsContact OD1-CB 3.26Å; D193-S195 WeakPolarHBondContact OD1-CB 3.33Å; D193-S195 PolarHBondContact OD1-N 3.05Å; D193-S195 PolarHBondContact OD1-OG 2.95Å; D193-S195 PolarHBondContact OD2-OG 3.27Å
194W61.5Low56.9Low43 Ų43110.7 Ų110.716%0.16358%0.583CS.*G310 helixtrans-69.7-12.1179-63.998.8000113.6T192 A196 V203 L303 A306 M307 A310 F311T192-W194 PolarHBondContact O-N 2.77Å; T192-W194 PolarHBondContact O-NE1 3.07Å; T192-W194 PolarHBondContact OG1-NE1 2.78Å; W194-A196 PolarHBondContact O-N 3.44Å; W194-V203 HydrophobicContact CB-CB 4.48Å; W194-V203 HydrophobicContact CB-CG1 3.88Å; W194-V203 HydrophobicContact CB-CG2 3.76Å; W194-V203 HydrophobicContact CG-CG1 4.21Å; W194-L303 HydrophobicContact CE3-CD1 4.12Å; W194-A306 WeakPolarHBondContact CH2-O 3.28Å; W194-A306 HydrophobicContact CZ3-CB 3.89Å; W194-M307 HydrophobicContact CD2-CG 4.02Å; W194-M307 HydrophobicContact CE3-CG 4.16Å; W194-M307 HydrophobicContact CH2-CB 4.42Å; W194-M307 HydrophobicContact CH2-CG 4.16Å; W194-M307 HydrophobicContact CZ2-CB 4.36Å; W194-M307 HydrophobicContact CZ2-CG 4.03Å; W194-M307 HydrophobicContact CZ3-CG 4.23Å; W194-A310 HydrophobicContact CH2-CB 3.32Å; W194-A310 HydrophobicContact CZ2-CB 3.36Å; W194-F311 HydrophobicContact CZ2-CE2 4.37Å
195S58.2Low59.2Low57 Ų57103.6 Ų103.640%0.39956%0.556SS.*G310 helixtrans-70-15.2-17473.90000113.7D193 G197D193-S195 VanDerWaalsContact CG-OG 3.28Å; D193-S195 PolarHBondContact O-N 3.11Å; D193-S195 VanDerWaalsContact OD1-CB 3.26Å; D193-S195 WeakPolarHBondContact OD1-CB 3.33Å; D193-S195 PolarHBondContact OD1-N 3.05Å; D193-S195 PolarHBondContact OD1-OG 2.95Å; D193-S195 PolarHBondContact OD2-OG 3.27Å; S195-G197 PolarHBondContact O-N 3.22Å; S195-G197 VanDerWaalsContact O-N 3.13Å
196A59.2Low61.7Low97 Ų9795.9 Ų95.980%0.80252%0.515SS*.G310 helixtrans-68.6-10.1-177.100000114.9W194W194-A196 PolarHBondContact O-N 3.44Å
197G64.7Low64.2Low66 Ų6691.5 Ų91.568%0.6850%0.497SS*.THydrogen-bonded Turntrans-149.2-3179.500000116.1S195S195-G197 PolarHBondContact O-N 3.22Å; S195-G197 VanDerWaalsContact O-N 3.13Å
198Y68.5Low66.5Low69 Ų6994.4 Ų94.427%0.27149%0.492SS..SBendtrans-131.9148.4-180-66.1-86.9000110.2K200 R302 L303Y198-K200 PolarHBondContact O-N 3.24Å; Y198-R302 HydrophobicContact CE1-CB 4.26Å; Y198-L303 HydrophobicContact CD1-CB 3.76Å; Y198-L303 HydrophobicContact CD1-CD1 4.12Å; Y198-L303 HydrophobicContact CD1-CD2 4.22Å; Y198-L303 HydrophobicContact CD1-CG 4.24Å; Y198-L303 HydrophobicContact CD2-CD1 3.65Å; Y198-L303 HydrophobicContact CE1-CB 3.76Å; Y198-L303 HydrophobicContact CE1-CD1 4.44Å; Y198-L303 HydrophobicContact CE2-CD1 4Å; Y198-L303 HydrophobicContact CG-CB 4.26Å; Y198-L303 HydrophobicContact CG-CD1 3.71Å; Y198-L303 HydrophobicContact CG-CD2 4.17Å; Y198-L303 HydrophobicContact CG-CG 4.25Å
199D76.2Confident68.7Low82 Ų8291.5 Ų91.544%0.43947%0.472SS..  trans-58.9121.5176.5-61.7-53000108.8E201 L202 V203 K299D199-E201 PolarHBondContact O-N 3.03Å; D199-E201 VanDerWaalsContact O-N 3.12Å; D199-L202 HydrophobicContact CB-CB 4.49Å; D199-L202 HydrophobicContact CB-CD1 3.93Å; D199-L202 HydrophobicContact CB-CG 3.96Å; D199-L202 WeakPolarHBondContact O-CA 3.48Å; D199-L202 WeakPolarHBondContact O-CB 3.32Å; D199-L202 PolarHBondContact O-N 2.85Å; D199-V203 PolarHBondContact O-N 3.32Å; D199-K299 IonicContact OD2-NZ 3.31Å; D199-K299 PolarHBondContact OD2-NZ 2.57Å
200K79.6Confident70.5Confident132 Ų13283.9 Ų83.957%0.57444%0.437SS*.Hα-helixtrans-53.2-37.5-175.2-166.7-171.4-175-130.40112.3Y198 L202 V203 E204Y198-K200 PolarHBondContact O-N 3.24Å; K200-L202 VanDerWaalsContact C-N 3.28Å; K200-L202 PolarHBondContact O-N 2.82Å; K200-V203 PolarHBondContact O-N 3.35Å; K200-E204 WeakPolarHBondContact CE-OE1 3.41Å; K200-E204 IonicContact NZ-OE1 3.43Å; K200-E204 PolarHBondContact NZ-OE1 3.46Å; K200-E204 WeakPolarHBondContact O-CG 3.43Å; K200-E204 PolarHBondContact O-N 3.43Å
201E80Confident72.4Confident154 Ų15477.5 Ų77.572%0.7241%0.407SS*.Hα-helixtrans-59.6-36176.1-62-176.9177.400112.7D199 T205D199-E201 PolarHBondContact O-N 3.03Å; D199-E201 VanDerWaalsContact O-N 3.12Å; E201-T205 VanDerWaalsContact O-CB 3.3Å; E201-T205 WeakPolarHBondContact O-CB 3.27Å; E201-T205 PolarHBondContact O-N 3.36Å; E201-T205 PolarHBondContact O-OG1 3.49Å
202L78.9Confident74Confident26 Ų2670.5 Ų70.514%0.13638%0.378CS..Hα-helixtrans-70.7-39.9177.3-63.8177.4000111.2D199 K200 T205 L206 D296 K299 L300 L303D199-L202 HydrophobicContact CB-CB 4.49Å; D199-L202 HydrophobicContact CB-CD1 3.93Å; D199-L202 HydrophobicContact CB-CG 3.96Å; D199-L202 WeakPolarHBondContact O-CA 3.48Å; D199-L202 WeakPolarHBondContact O-CB 3.32Å; D199-L202 PolarHBondContact O-N 2.85Å; K200-L202 VanDerWaalsContact C-N 3.28Å; K200-L202 PolarHBondContact O-N 2.82Å; L202-T205 PolarHBondContact O-N 2.79Å; L202-L206 WeakPolarHBondContact O-CG 3.43Å; L202-L206 PolarHBondContact O-N 3.18Å; L202-D296 HydrophobicContact CD2-CB 4.48Å; L202-K299 HydrophobicContact CD1-CB 4.37Å; L202-K299 HydrophobicContact CD1-CD 4.39Å; L202-L300 HydrophobicContact CB-CD1 4.43Å; L202-L300 HydrophobicContact CD2-CD1 4.38Å; L202-L303 HydrophobicContact CB-CD2 4.13Å
203V81.5Confident74.8Confident11 Ų1175.7 Ų75.77%0.06739%0.391CS..Hα-helixtrans-63.2-50.6176.2-176.80000110.1W194 D199 K200 T205 L206 E207 L303 M307W194-V203 HydrophobicContact CB-CB 4.48Å; W194-V203 HydrophobicContact CB-CG1 3.88Å; W194-V203 HydrophobicContact CB-CG2 3.76Å; W194-V203 HydrophobicContact CG-CG1 4.21Å; D199-V203 PolarHBondContact O-N 3.32Å; K200-V203 PolarHBondContact O-N 3.35Å; V203-T205 VanDerWaalsContact C-N 3.27Å; V203-T205 PolarHBondContact O-N 2.85Å; V203-L206 WeakPolarHBondContact O-CB 3.39Å; V203-L206 PolarHBondContact O-N 3.37Å; V203-L206 VanDerWaalsContact O-N 3.1Å; V203-E207 HydrophobicContact CG1-CG 4.45Å; V203-E207 PolarHBondContact O-N 2.92Å; V203-L303 HydrophobicContact CB-CD2 4.35Å; V203-L303 HydrophobicContact CG2-CD1 4.18Å; V203-L303 HydrophobicContact CG2-CD2 3.65Å; V203-M307 HydrophobicContact CG1-CE 4.48Å
204E83Confident75.4Confident94 Ų9475.6 Ų75.644%0.43939%0.391SS..Hα-helixtrans-60.7-38178.9-71176.4-175.800111.5K200 R208K200-E204 WeakPolarHBondContact CE-OE1 3.41Å; K200-E204 IonicContact NZ-OE1 3.43Å; K200-E204 PolarHBondContact NZ-OE1 3.46Å; K200-E204 WeakPolarHBondContact O-CG 3.43Å; K200-E204 PolarHBondContact O-N 3.43Å; E204-R208 WeakPolarHBondContact O-CB 3.02Å; E204-R208 PolarHBondContact O-N 3.26Å
205T80.1Confident76.1Confident54 Ų5474.7 Ų74.733%0.33139%0.39SS..Hα-helixtrans-64.7-42.6174.8-58.70000111.7E201 L202 V203 R208 D209E201-T205 VanDerWaalsContact O-CB 3.3Å; E201-T205 WeakPolarHBondContact O-CB 3.27Å; E201-T205 PolarHBondContact O-N 3.36Å; E201-T205 PolarHBondContact O-OG1 3.49Å; L202-T205 PolarHBondContact O-N 2.79Å; V203-T205 VanDerWaalsContact C-N 3.27Å; V203-T205 PolarHBondContact O-N 2.85Å; T205-R208 PolarHBondContact O-N 3.28Å; T205-D209 VanDerWaalsContact O-CB 3.29Å; T205-D209 WeakPolarHBondContact O-CB 3.32Å; T205-D209 PolarHBondContact O-N 3.18Å
206L82.6Confident77.3Confident4 Ų478 Ų782%0.02140%0.404CS..Hα-helixtrans-65.3-45.2177-75.9176.3000112.5L202 V203 R208 I210 L211 L300 L303 M307L202-L206 WeakPolarHBondContact O-CG 3.43Å; L202-L206 PolarHBondContact O-N 3.18Å; V203-L206 WeakPolarHBondContact O-CB 3.39Å; V203-L206 PolarHBondContact O-N 3.37Å; V203-L206 VanDerWaalsContact O-N 3.1Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 3.43Å; L206-I210 HydrophobicContact CD2-CD1 3.25Å; L206-I210 HydrophobicContact CD2-CG1 3.91Å; L206-I210 WeakPolarHBondContact O-CA 3.46Å; L206-I210 VanDerWaalsContact O-CB 3.28Å; L206-I210 WeakPolarHBondContact O-CB 2.91Å; L206-I210 PolarHBondContact O-N 2.99Å; L206-L211 PolarHBondContact O-N 3.17Å; L206-L300 HydrophobicContact CD1-CD1 3.77Å; L206-L300 HydrophobicContact CD1-CG 4.49Å; L206-L300 HydrophobicContact CD2-CD1 3.47Å; L206-L300 VanDerWaalsContact CD2-CD1 3.47Å; L206-L300 HydrophobicContact CD2-CD2 4.44Å; L206-L300 HydrophobicContact CD2-CG 3.85Å; L206-L300 HydrophobicContact CG-CD1 3.46Å; L206-L300 VanDerWaalsContact CG-CD1 3.46Å; L206-L300 HydrophobicContact CG-CG 4.33Å; L206-L303 HydrophobicContact CD1-CB 3.92Å; L206-L303 HydrophobicContact CD1-CD2 3.42Å; L206-L303 VanDerWaalsContact CD1-CD2 3.42Å; L206-L303 HydrophobicContact CD1-CG 3.42Å; L206-L303 VanDerWaalsContact CD1-CG 3.42Å; L206-M307 HydrophobicContact CB-SD 4.16Å; L206-M307 HydrophobicContact CD1-SD 3.82Å
207E84.2Confident78.8Confident79 Ų7974.2 Ų74.237%0.36937%0.37SS..Hα-helixtrans-64.2-35.8179.1-71.3-173.3165.100112V203 L211 M307V203-E207 HydrophobicContact CG1-CG 4.45Å; V203-E207 PolarHBondContact O-N 2.92Å; E207-L211 WeakPolarHBondContact O-CB 3.12Å; E207-M307 HydrophobicContact CG-CE 3.54Å
208R81.3Confident80Confident185 Ų18577.1 Ų77.170%0.69836%0.361SS*.Hα-helixtrans-76.6-45.8178-168.1-16869.9-158.9-8.8112.9E204 T205 L206E204-R208 WeakPolarHBondContact O-CB 3.02Å; E204-R208 PolarHBondContact O-N 3.26Å; T205-R208 PolarHBondContact O-N 3.28Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 3.43Å
209D77.9Confident80.9Confident70 Ų7075.4 Ų75.437%0.37435%0.354SS..Hα-helixtrans-95.1-24.5-166.7-64.2-13.5000113.2T205 T288T205-D209 VanDerWaalsContact O-CB 3.29Å; T205-D209 WeakPolarHBondContact O-CB 3.32Å; T205-D209 PolarHBondContact O-N 3.18Å; D209-T288 HydrophobicContact CB-CG2 4.33Å
210I80.2Confident81.5Confident1 Ų175 Ų751%0.00536%0.358CS..THydrogen-bonded Turntrans-111.1-40.2-173.6-55.1-159.5000112.3L206 V212 F282 N283 V284 T288 L304L206-I210 HydrophobicContact CD2-CD1 3.25Å; L206-I210 HydrophobicContact CD2-CG1 3.91Å; L206-I210 WeakPolarHBondContact O-CA 3.46Å; L206-I210 VanDerWaalsContact O-CB 3.28Å; L206-I210 WeakPolarHBondContact O-CB 2.91Å; L206-I210 PolarHBondContact O-N 2.99Å; I210-V212 PolarHBondContact O-N 3.49Å; I210-F282 HydrophobicContact CG2-CB 3.6Å; I210-F282 HydrophobicContact CG2-CD1 3.91Å; I210-F282 HydrophobicContact CG2-CG 4.26Å; I210-F282 CarbonylContact O-C 3.59Å; I210-F282 WeakPolarHBondContact O-CA 3.41Å; I210-N283 PolarHBondContact O-N 3.26Å; I210-V284 HydrophobicContact CD1-CG1 4.48Å; I210-V284 HydrophobicContact CD1-CG2 4.15Å; I210-V284 HydrophobicContact CG2-CG2 3.85Å; I210-T288 HydrophobicContact CD1-CG2 3.51Å; I210-T288 HydrophobicContact CG1-CG2 3.62Å; I210-L304 HydrophobicContact CD1-CD1 4.49Å; I210-L304 HydrophobicContact CG2-CD1 4.04Å
211L81Confident81.9Confident26 Ų2672.1 Ų72.114%0.13635%0.348CS..EExtended strand (participates in β ladder)trans-76107.6-174.1-175.670.1000111.1L206 E207 R213 T280 F282L206-L211 PolarHBondContact O-N 3.17Å; E207-L211 WeakPolarHBondContact O-CB 3.12Å; L211-R213 HydrophobicContact CD2-CG 4.42Å; L211-R213 HydrophobicContact CG-CG 4.35Å; L211-T280 HydrophobicContact CD1-CG2 3.23Å; L211-F282 HydrophobicContact CD1-CD1 4.36Å; L211-F282 HydrophobicContact CD1-CE1 3.89Å; L211-F282 HydrophobicContact CD1-CZ 4.04Å
212V79.9Confident82.4Confident50 Ų5065.5 Ų65.530%0.30332%0.317SS..EExtended strand (participates in β ladder)trans-108.4102.9172.5-176.80000107.9I210 N214 P215 F281 N283I210-V212 PolarHBondContact O-N 3.49Å; V212-N214 PolarHBondContact O-N 3.34Å; V212-P215 HydrophobicContact CG1-CB 4.14Å; V212-F281 HydrophobicContact CB-CD1 4.08Å; V212-F281 HydrophobicContact CG2-CD1 4.46Å; V212-F281 PolarHBondContact N-O 2.93Å; V212-F281 WeakPolarHBondContact O-CB 3.42Å; V212-N283 HydrophobicContact CG2-CB 4.19Å
213R71.1Confident83Confident168 Ų16864.7 Ų64.763%0.63432%0.315SS*.SBendtrans-65-38.7-175.2-66.6-172.5-179.6-158.4-0.1112.8L211L211-R213 HydrophobicContact CD2-CG 4.42Å; L211-R213 HydrophobicContact CG-CG 4.35Å
214N73.4Confident83.3Confident120 Ų12065.1 Ų65.164%0.64232%0.322SS*.  trans-143.196.1-178.4-72.7-39.7000110.8V212 N216V212-N214 PolarHBondContact O-N 3.34Å; N214-N216 PolarHBondContact O-N 2.88Å
215P76.1Confident83.6Confident24 Ų2462.7 Ų62.716%0.15631%0.311CS..  trans-71.5-8.7177.422.1-23.9000113.7V212 V217 K271 A274 T275V212-P215 HydrophobicContact CG1-CB 4.14Å; P215-V217 WeakPolarHBondContact O-CG2 3.28Å; P215-V217 PolarHBondContact O-N 3.47Å; P215-V217 VanDerWaalsContact O-N 3.15Å; P215-K271 HydrophobicContact CB-CB 3.81Å; P215-K271 HydrophobicContact CB-CD 4.17Å; P215-K271 HydrophobicContact CB-CG 3.79Å; P215-K271 HydrophobicContact CG-CB 4.23Å; P215-K271 HydrophobicContact CG-CG 4.47Å; P215-K271 WeakPolarHBondContact CG-O 3.24Å; P215-A274 HydrophobicContact CG-CB 4.19Å; P215-T275 WeakPolarHBondContact CG-OG1 3.27Å
216N84.4Confident84Confident127 Ų12768 Ų6868%0.67933%0.33SS*.  trans55.328.5172.7-68.2-26000115.3N214N214-N216 PolarHBondContact O-N 2.88Å
217V89.3Confident84.2Confident17 Ų1776 Ų7610%0.10337%0.367CS..  trans-106.8127.1175.2-176.50000108.6P215 D221 I222 L268 K271 A272 T275P215-V217 WeakPolarHBondContact O-CG2 3.28Å; P215-V217 PolarHBondContact O-N 3.47Å; P215-V217 VanDerWaalsContact O-N 3.15Å; V217-D221 HydrophobicContact CG1-CB 4.45Å; V217-I222 HydrophobicContact CG1-CD1 4.42Å; V217-I222 HydrophobicContact CG1-CG1 4.37Å; V217-L268 HydrophobicContact CG1-CD1 3.74Å; V217-L268 HydrophobicContact CG1-CG 4.04Å; V217-L268 HydrophobicContact CG2-CD1 3.93Å; V217-K271 HydrophobicContact CB-CB 4.14Å; V217-K271 HydrophobicContact CG2-CB 3.91Å; V217-K271 HydrophobicContact CG2-CD 4.35Å; V217-A272 HydrophobicContact CB-CB 4.49Å; V217-A272 HydrophobicContact CG1-CB 4.02Å; V217-A272 WeakPolarHBondContact O-CA 3.43Å; V217-T275 PolarHBondContact N-OG1 3.35Å; V217-T275 WeakPolarHBondContact O-CB 3.33Å; V217-T275 WeakPolarHBondContact O-CG2 3.47Å; V217-T275 PolarHBondContact O-OG1 2.82Å; V217-T275 VanDerWaalsContact O-OG1 3.06Å
218R89.9Confident84.5Confident127 Ų12772.7 Ų72.748%0.47935%0.352SS..  trans-103.1166.5177.5-63.1-177.6-175.7-79.5-4.6111.6S220 D221 E276R218-S220 WeakPolarHBondContact CB-OG 3.43Å; R218-S220 PolarHBondContact O-N 3.47Å; R218-D221 PolarHBondContact N-OD2 2.9Å; R218-D221 PolarHBondContact O-N 2.81Å; R218-D221 VanDerWaalsContact O-N 3.16Å; R218-E276 WeakPolarHBondContact CA-OE1 3.4Å
219W89Confident84.9Confident33 Ų3365 Ų6513%0.12532%0.324CS..G310 helixtrans-61.3-25.2173.8-67.6125.8000113.8D221 K229 L232 K233 L269 A272 V273 E276W219-D221 VanDerWaalsContact C-N 3.29Å; W219-K229 HydrophobicContact CE3-CB 4.41Å; W219-K229 HydrophobicContact CE3-CD 3.95Å; W219-K229 HydrophobicContact CE3-CG 3.78Å; W219-K229 HydrophobicContact CZ3-CB 4.32Å; W219-K229 HydrophobicContact CZ3-CD 4.46Å; W219-K229 HydrophobicContact CZ3-CG 3.79Å; W219-K229 PolarHBondContact O-NZ 3.27Å; W219-L232 HydrophobicContact CH2-CB 4.32Å; W219-K233 HydrophobicContact CZ2-CG 4.2Å; W219-L269 HydrophobicContact CE3-CD1 4.41Å; W219-L269 HydrophobicContact CZ3-CD1 3.65Å; W219-L269 HydrophobicContact CZ3-CG 4.43Å; W219-A272 HydrophobicContact CD2-CB 4.42Å; W219-A272 HydrophobicContact CE3-CB 3.9Å; W219-A272 HydrophobicContact CZ3-CB 3.98Å; W219-V273 HydrophobicContact CH2-CB 4.38Å; W219-V273 HydrophobicContact CH2-CG2 3.49Å; W219-V273 VanDerWaalsContact CH2-CG2 3.49Å; W219-V273 HydrophobicContact CZ2-CG2 4.13Å; W219-V273 HydrophobicContact CZ3-CG2 4.39Å; W219-E276 HydrophobicContact CD2-CG 4.12Å; W219-E276 HydrophobicContact CG-CG 3.85Å; W219-E276 HydrophobicContact CZ2-CB 4.36Å; W219-E276 PolarHBondContact N-OE1 3.19Å; W219-E276 VanDerWaalsContact NE1-CB 3.28Å
220S87.8Confident85.4Confident74 Ų7465.9 Ų65.952%0.51733%0.329SS..G310 helixtrans-67.4-27.9177.349.60000113.4R218 I222R218-S220 WeakPolarHBondContact CB-OG 3.43Å; R218-S220 PolarHBondContact O-N 3.47Å; S220-I222 VanDerWaalsContact C-N 3.28Å
221D88Confident85.7Confident71 Ų7167.5 Ų67.538%0.3834%0.337SS..G310 helixtrans-86.3-9.5-171.9-46.9-22.9000111V217 R218 W219V217-D221 HydrophobicContact CG1-CB 4.45Å; R218-D221 PolarHBondContact N-OD2 2.9Å; R218-D221 PolarHBondContact O-N 2.81Å; R218-D221 VanDerWaalsContact O-N 3.16Å; W219-D221 VanDerWaalsContact C-N 3.29Å
222I90.4Very high86Confident14 Ų1466.4 Ų66.47%0.07233%0.331CS..SBendtrans-102.8119.4178.2-57.2-178.2000108.5V217 S220 L225 K229 L268 L269 A272V217-I222 HydrophobicContact CG1-CD1 4.42Å; V217-I222 HydrophobicContact CG1-CG1 4.37Å; S220-I222 VanDerWaalsContact C-N 3.28Å; I222-L225 HydrophobicContact CG2-CD1 4.31Å; I222-K229 PolarHBondContact O-NZ 3.39Å; I222-L268 HydrophobicContact CD1-CD2 4.5Å; I222-L268 HydrophobicContact CD1-CG 4.16Å; I222-L268 HydrophobicContact CG1-CD2 3.89Å; I222-L268 HydrophobicContact CG1-CG 4.02Å; I222-L269 HydrophobicContact CD1-CB 4.35Å; I222-L269 HydrophobicContact CD1-CD1 3.75Å; I222-L269 HydrophobicContact CG2-CD1 4.36Å; I222-A272 HydrophobicContact CD1-CB 3.47Å; I222-A272 VanDerWaalsContact CD1-CB 3.47Å
223A90.9Very high86.2Confident9 Ų967.5 Ų67.57%0.07433%0.332CS..  trans-73.7142.8172.900000111.7C395 R398 M399 I402A223-C395 PolarHBondContact O-SG 3.49Å; A223-C395 VanDerWaalsContact O-SG 3.41Å; A223-R398 HydrophobicContact CB-CB 4.06Å; A223-R398 HydrophobicContact CB-CG 4.01Å; A223-M399 HydrophobicContact CB-CE 4.3Å; A223-M399 HydrophobicContact CB-CG 3.59Å; A223-I402 HydrophobicContact CB-CD1 4.36Å
224G89.3Confident86.8Confident21 Ų2164.6 Ų64.622%0.21633%0.326CS..SBendtrans62.2-145.5173.100000115.3K226 K229G224-K226 VanDerWaalsContact C-N 3.28Å; G224-K226 PolarHBondContact O-N 3.13Å; G224-K229 WeakPolarHBondContact O-CE 3.34Å; G224-K229 PolarHBondContact O-NZ 3.23Å
225L88.4Confident87.2Confident42 Ų4259.2 Ų59.222%0.2230%0.298CS..  trans55.535.2177.5-56.7177.5000114.4I222 E227 V228 K229 I388I222-L225 HydrophobicContact CG2-CD1 4.31Å; L225-E227 PolarHBondContact O-N 2.93Å; L225-V228 HydrophobicContact CB-CB 4.31Å; L225-V228 HydrophobicContact CB-CG2 4.42Å; L225-V228 HydrophobicContact CD2-CG2 4.42Å; L225-V228 PolarHBondContact O-N 3.12Å; L225-K229 WeakPolarHBondContact O-CB 3.49Å; L225-K229 VanDerWaalsContact O-CG 3.31Å; L225-K229 WeakPolarHBondContact O-CG 3.44Å; L225-K229 PolarHBondContact O-N 2.98Å; L225-I388 HydrophobicContact CD1-CG2 3.85Å; L225-I388 HydrophobicContact CD2-CG2 3.79Å; L225-I388 HydrophobicContact CG-CG2 4.5Å
226K88.9Confident87.3Confident166 Ų16659.1 Ų59.172%0.72230%0.297SS*.Hα-helixtrans-53.8-50.6-174.9-66.6179-178.2172.30112.2G224 V228 K229 D230G224-K226 VanDerWaalsContact C-N 3.28Å; G224-K226 PolarHBondContact O-N 3.13Å; K226-V228 VanDerWaalsContact C-N 3.35Å; K226-V228 PolarHBondContact O-N 3.34Å; K226-K229 PolarHBondContact O-N 3.46Å; K226-D230 VanDerWaalsContact O-CG 3.29Å; K226-D230 PolarHBondContact O-N 2.66Å
227E87.2Confident87.1Confident172 Ų17255.2 Ų55.280%0.80428%0.277SS*.Hα-helixtrans-58.9-44.2179.4-62.1178.5178.600112.4L225 D230 L231L225-E227 PolarHBondContact O-N 2.93Å; E227-D230 PolarHBondContact O-N 3.3Å; E227-L231 VanDerWaalsContact O-CB 3.31Å; E227-L231 WeakPolarHBondContact O-CB 3.34Å; E227-L231 PolarHBondContact O-N 3.02Å
228V89.2Confident86.8Confident10 Ų1057.3 Ų57.36%0.06129%0.288CS..Hα-helixtrans-67.1-42.1178.9-1710000110.8L225 K226 L231 L232 L269 V386 I388L225-V228 HydrophobicContact CB-CB 4.31Å; L225-V228 HydrophobicContact CB-CG2 4.42Å; L225-V228 HydrophobicContact CD2-CG2 4.42Å; L225-V228 PolarHBondContact O-N 3.12Å; K226-V228 VanDerWaalsContact C-N 3.35Å; K226-V228 PolarHBondContact O-N 3.34Å; V228-L231 PolarHBondContact O-N 3.42Å; V228-L232 HydrophobicContact CG1-CD1 4.05Å; V228-L232 WeakPolarHBondContact O-CB 3.44Å; V228-L232 VanDerWaalsContact O-CG 3.3Å; V228-L232 WeakPolarHBondContact O-CG 3.49Å; V228-L232 PolarHBondContact O-N 3.44Å; V228-L269 HydrophobicContact CB-CD2 4.42Å; V228-L269 HydrophobicContact CG1-CD2 3.49Å; V228-L269 VanDerWaalsContact CG1-CD2 3.49Å; V228-V386 HydrophobicContact CB-CG1 4.19Å; V228-V386 HydrophobicContact CG1-CG1 3.8Å; V228-V386 HydrophobicContact CG2-CG1 3.68Å; V228-I388 HydrophobicContact CG1-CD1 4.34Å
229K90.6Very high86.5Confident22 Ų2251.6 Ų51.610%0.09627%0.267CS..Hα-helixtrans-62.3-43.6176.9-71.6179.5-176.6-178.20111.3W219 I222 G224 L225 K226 L232 K233 L269W219-K229 HydrophobicContact CE3-CB 4.41Å; W219-K229 HydrophobicContact CE3-CD 3.95Å; W219-K229 HydrophobicContact CE3-CG 3.78Å; W219-K229 HydrophobicContact CZ3-CB 4.32Å; W219-K229 HydrophobicContact CZ3-CD 4.46Å; W219-K229 HydrophobicContact CZ3-CG 3.79Å; W219-K229 PolarHBondContact O-NZ 3.27Å; I222-K229 PolarHBondContact O-NZ 3.39Å; G224-K229 WeakPolarHBondContact O-CE 3.34Å; G224-K229 PolarHBondContact O-NZ 3.23Å; L225-K229 WeakPolarHBondContact O-CB 3.49Å; L225-K229 VanDerWaalsContact O-CG 3.31Å; L225-K229 WeakPolarHBondContact O-CG 3.44Å; L225-K229 PolarHBondContact O-N 2.98Å; K226-K229 PolarHBondContact O-N 3.46Å; K229-L232 PolarHBondContact O-N 3.05Å; K229-K233 WeakPolarHBondContact O-CB 3.38Å; K229-K233 VanDerWaalsContact O-CG 3.22Å; K229-K233 WeakPolarHBondContact O-CG 3.45Å; K229-K233 PolarHBondContact O-N 2.97Å; K229-L269 HydrophobicContact CG-CD1 4.14Å
230D88.8Confident86Confident90 Ų9055.9 Ų55.948%0.48129%0.288SS..Hα-helixtrans-68.9-39.6-178.6-67.3-21.6000111.5K226 E227 K233 E234K226-D230 VanDerWaalsContact O-CG 3.29Å; K226-D230 PolarHBondContact O-N 2.66Å; E227-D230 PolarHBondContact O-N 3.3Å; D230-K233 PolarHBondContact O-N 3.33Å; D230-K233 IonicContact OD1-NZ 2.74Å; D230-K233 PolarHBondContact OD1-NZ 3.32Å; D230-E234 WeakPolarHBondContact O-CB 3.48Å; D230-E234 PolarHBondContact O-N 3Å
231L86.5Confident85.8Confident35 Ų3557.6 Ų57.618%0.18329%0.291CS..Hα-helixtrans-62.1-42.7172.3179.6161.3000112.4E227 V228 E234 A235 K384 V386E227-L231 VanDerWaalsContact O-CB 3.31Å; E227-L231 WeakPolarHBondContact O-CB 3.34Å; E227-L231 PolarHBondContact O-N 3.02Å; V228-L231 PolarHBondContact O-N 3.42Å; L231-E234 PolarHBondContact O-N 3.21Å; L231-A235 WeakPolarHBondContact O-CB 3.45Å; L231-A235 PolarHBondContact O-N 2.83Å; L231-K384 HydrophobicContact CD1-CD 4.4Å; L231-K384 HydrophobicContact CD1-CG 4.35Å; L231-K384 HydrophobicContact CD2-CG 4.04Å; L231-V386 HydrophobicContact CD1-CG2 3.6Å; L231-V386 HydrophobicContact CD2-CG2 3.68Å; L231-V386 HydrophobicContact CG-CG2 4.31Å
232L86Confident85.6Confident2 Ų258.7 Ų58.71%0.0130%0.296CS..Hα-helixtrans-68.7-39.1176.2-72.7170.7000111.7W219 V228 K229 E234 A235 V236 V256 L269 V273 L365W219-L232 HydrophobicContact CH2-CB 4.32Å; V228-L232 HydrophobicContact CG1-CD1 4.05Å; V228-L232 WeakPolarHBondContact O-CB 3.44Å; V228-L232 VanDerWaalsContact O-CG 3.3Å; V228-L232 WeakPolarHBondContact O-CG 3.49Å; V228-L232 PolarHBondContact O-N 3.44Å; K229-L232 PolarHBondContact O-N 3.05Å; L232-E234 VanDerWaalsContact C-N 3.32Å; L232-E234 PolarHBondContact O-N 3.25Å; L232-A235 PolarHBondContact O-N 2.98Å; L232-V236 WeakPolarHBondContact O-CG2 3.27Å; L232-V236 PolarHBondContact O-N 2.81Å; L232-V256 HydrophobicContact CD2-CG1 4.05Å; L232-L269 HydrophobicContact CD1-CD1 4.39Å; L232-L269 HydrophobicContact CD1-CD2 3.45Å; L232-L269 VanDerWaalsContact CD1-CD2 3.45Å; L232-L269 HydrophobicContact CD1-CG 3.67Å; L232-V273 HydrophobicContact CB-CG2 4.08Å; L232-V273 HydrophobicContact CD1-CG2 3.81Å; L232-V273 HydrophobicContact CD2-CG2 4.39Å; L232-V273 HydrophobicContact CG-CG2 4.32Å; L232-L365 HydrophobicContact CD2-CD2 4.18Å
233K85.2Confident85.2Confident74 Ų7460.4 Ų60.432%0.32231%0.308SS..Hα-helixtrans-60.6-43.4171.9-73.2169.4-169.7166.50111W219 K229 D230 A235 V236 V237 L238W219-K233 HydrophobicContact CZ2-CG 4.2Å; K229-K233 WeakPolarHBondContact O-CB 3.38Å; K229-K233 VanDerWaalsContact O-CG 3.22Å; K229-K233 WeakPolarHBondContact O-CG 3.45Å; K229-K233 PolarHBondContact O-N 2.97Å; D230-K233 PolarHBondContact O-N 3.33Å; D230-K233 IonicContact OD1-NZ 2.74Å; D230-K233 PolarHBondContact OD1-NZ 3.32Å; K233-A235 PolarHBondContact O-N 3.09Å; K233-V236 PolarHBondContact O-N 3Å; K233-V237 HydrophobicContact CB-CG2 4.34Å; K233-V237 WeakPolarHBondContact O-CA 3.49Å; K233-V237 WeakPolarHBondContact O-CB 3.3Å; K233-V237 PolarHBondContact O-N 2.78Å; K233-L238 PolarHBondContact O-N 2.91Å
234E84.2Confident84.8Confident106 Ų10662.4 Ų62.450%0.49533%0.33SS..Hα-helixtrans-60-45.4174.5163.5163.8-155.300111.9D230 L231 L232 V236 L238 P239D230-E234 WeakPolarHBondContact O-CB 3.48Å; D230-E234 PolarHBondContact O-N 3Å; L231-E234 PolarHBondContact O-N 3.21Å; L232-E234 VanDerWaalsContact C-N 3.32Å; L232-E234 PolarHBondContact O-N 3.25Å; E234-V236 VanDerWaalsContact C-N 3.33Å; E234-V236 PolarHBondContact O-N 3.12Å; E234-L238 HydrophobicContact CB-CD1 3.95Å; E234-L238 HydrophobicContact CG-CD1 3.85Å; E234-L238 WeakPolarHBondContact O-CB 3.18Å; E234-P239 WeakPolarHBondContact O-CD 3.5Å
235A80.4Confident84.7Confident7 Ų767.5 Ų67.56%0.05834%0.344CS..Hα-helixtrans-66.8-31.7-177.500000113.6L231 L232 K233 P239L231-A235 WeakPolarHBondContact O-CB 3.45Å; L231-A235 PolarHBondContact O-N 2.83Å; L232-A235 PolarHBondContact O-N 2.98Å; K233-A235 PolarHBondContact O-N 3.09Å; A235-P239 WeakPolarHBondContact O-CG 3.31Å
236V78.3Confident84.3Confident23 Ų2366.8 Ų66.814%0.13934%0.339CS..Hα-helixtrans-112.2-43.5-171.2-166.20000113.4L232 K233 E234 V273 C277 L363L232-V236 WeakPolarHBondContact O-CG2 3.27Å; L232-V236 PolarHBondContact O-N 2.81Å; K233-V236 PolarHBondContact O-N 3Å; E234-V236 VanDerWaalsContact C-N 3.33Å; E234-V236 PolarHBondContact O-N 3.12Å; V236-V273 HydrophobicContact CB-CG1 4.45Å; V236-V273 HydrophobicContact CG1-CG1 4.44Å; V236-V273 HydrophobicContact CG2-CG1 3.85Å; V236-C277 HydrophobicContact CG1-CB 3.72Å; V236-C277 WeakPolarHBondContact CG1-SG 3.48Å; V236-L363 HydrophobicContact CB-CD2 4.49Å; V236-L363 HydrophobicContact CG1-CD2 4.44Å; V236-L363 HydrophobicContact CG2-CD2 3.28Å
237V80.8Confident83.7Confident44 Ų4465.7 Ų65.727%0.26733%0.334SS..Hα-helixtrans-81.2-44.6-173.7-175.50000111.1K233 H240 L241K233-V237 HydrophobicContact CB-CG2 4.34Å; K233-V237 WeakPolarHBondContact O-CA 3.49Å; K233-V237 WeakPolarHBondContact O-CB 3.3Å; K233-V237 PolarHBondContact O-N 2.78Å; V237-H240 WeakPolarHBondContact O-CB 3.37Å; V237-H240 PolarHBondContact O-N 3.35Å; V237-H240 VanDerWaalsContact O-N 3.13Å; V237-L241 HydrophobicContact CG1-CD1 3.64Å; V237-L241 HydrophobicContact CG1-CG 3.95Å; V237-L241 WeakPolarHBondContact O-CG 3.39Å; V237-L241 PolarHBondContact O-N 2.97Å
238L83.7Confident83.3Confident61 Ų6161 Ų6132%0.31933%0.332SS..Hα-helixtrans-62.2-38.7-177-64.3-177.5000114.1K233 E234 H240 L241 L242 F246K233-L238 PolarHBondContact O-N 2.91Å; E234-L238 HydrophobicContact CB-CD1 3.95Å; E234-L238 HydrophobicContact CG-CD1 3.85Å; E234-L238 WeakPolarHBondContact O-CB 3.18Å; L238-H240 PolarHBondContact O-N 2.88Å; L238-L241 PolarHBondContact O-N 3.38Å; L238-L242 PolarHBondContact O-N 3.3Å; L238-F246 VanDerWaalsContact C-CE2 3.42Å; L238-F246 HydrophobicContact CB-CE2 3.69Å; L238-F246 HydrophobicContact CB-CZ 3.66Å; L238-F246 WeakPolarHBondContact O-CE2 3.49Å
239P82.7Confident83Confident7 Ų768.5 Ų68.55%0.04537%0.37CS..Hα-helixtrans-63.1-31.9175.4-25.537.2000113.1E234 A235 F246 P252E234-P239 WeakPolarHBondContact O-CD 3.5Å; A235-P239 WeakPolarHBondContact O-CG 3.31Å; P239-F246 HydrophobicContact CB-CD2 4.3Å; P239-F246 HydrophobicContact CB-CG 4.34Å; P239-F246 HydrophobicContact CG-CD1 4.22Å; P239-F246 HydrophobicContact CG-CD2 4.38Å; P239-F246 HydrophobicContact CG-CE1 4.08Å; P239-F246 HydrophobicContact CG-CE2 4.26Å; P239-F246 HydrophobicContact CG-CG 4.38Å; P239-F246 HydrophobicContact CG-CZ 4.11Å; P239-P252 HydrophobicContact CB-CB 4.06Å; P239-P252 HydrophobicContact CB-CG 4.21Å; P239-P252 HydrophobicContact CG-CB 3.5Å; P239-P252 VanDerWaalsContact CG-CB 3.5Å; P239-P252 HydrophobicContact CG-CG 4.19Å
240H78.9Confident82.6Confident123 Ų12373.9 Ų73.957%0.56939%0.39SS*.Hα-helixtrans-74.3-41.1175.4-17179.6000111.9V237 L238V237-H240 WeakPolarHBondContact O-CB 3.37Å; V237-H240 PolarHBondContact O-N 3.35Å; V237-H240 VanDerWaalsContact O-N 3.13Å; L238-H240 PolarHBondContact O-N 2.88Å
241L82.5Confident82.2Confident111 Ų11176 Ų7658%0.58139%0.391SS*.Hα-helixtrans-75.3-33.9-179.9-67.5-179.1000113.6V237 L238 P243V237-L241 HydrophobicContact CG1-CD1 3.64Å; V237-L241 HydrophobicContact CG1-CG 3.95Å; V237-L241 WeakPolarHBondContact O-CG 3.39Å; V237-L241 PolarHBondContact O-N 2.97Å; L238-L241 PolarHBondContact O-N 3.38Å; L241-P243 VanDerWaalsContact C-CD 3.44Å
242L84.9Confident82Confident93 Ų9375.2 Ų75.249%0.48739%0.388SS..  trans-128.956.2-172.6-61.8173.7000112.4L238 G244 Y245 F246L238-L242 PolarHBondContact O-N 3.3Å; L242-G244 PolarHBondContact O-N 3.12Å; L242-Y245 WeakPolarHBondContact O-CB 3.39Å; L242-Y245 PolarHBondContact O-N 3.25Å; L242-F246 HydrophobicContact CB-CE2 4.47Å; L242-F246 WeakPolarHBondContact O-CD2 3.48Å; L242-F246 PolarHBondContact O-N 2.84Å
243P81.6Confident81.9Confident50 Ų5080.4 Ų80.433%0.32541%0.408SS..THydrogen-bonded Turntrans-60.2-26.2-176.825.7-35.5000113.1L241 Y245 P358 T359L241-P243 VanDerWaalsContact C-CD 3.44Å; P243-Y245 VanDerWaalsContact C-N 3.32Å; P243-Y245 PolarHBondContact O-N 3.29Å; P243-P358 HydrophobicContact CB-CG 3.79Å; P243-T359 HydrophobicContact CB-CG2 3.69Å; P243-T359 HydrophobicContact CG-CG2 4.18Å
244G83.4Confident81.8Confident52 Ų5279.5 Ų79.554%0.53640%0.402SS..THydrogen-bonded Turntrans-65.5-30.2173.700000114.4L242 K247L242-G244 PolarHBondContact O-N 3.12Å; G244-K247 WeakPolarHBondContact O-CD 3.36Å
245Y85.7Confident82.1Confident127 Ų12774.4 Ų74.450%0.49838%0.378SS..THydrogen-bonded Turntrans-80.9-36.8-178.2-175.1-92.9000112.1L242 P243 K247L242-Y245 WeakPolarHBondContact O-CB 3.39Å; L242-Y245 PolarHBondContact O-N 3.25Å; P243-Y245 VanDerWaalsContact C-N 3.32Å; P243-Y245 PolarHBondContact O-N 3.29Å; Y245-K247 PolarHBondContact O-N 3.07Å
246F81Confident82.6Confident27 Ų2774.1 Ų74.112%0.11838%0.376CS..SBendtrans-8363.2-177.7-71.8-91.5000112.2L238 P239 L242 R250 P252 P358L238-F246 VanDerWaalsContact C-CE2 3.42Å; L238-F246 HydrophobicContact CB-CE2 3.69Å; L238-F246 HydrophobicContact CB-CZ 3.66Å; L238-F246 WeakPolarHBondContact O-CE2 3.49Å; P239-F246 HydrophobicContact CB-CD2 4.3Å; P239-F246 HydrophobicContact CB-CG 4.34Å; P239-F246 HydrophobicContact CG-CD1 4.22Å; P239-F246 HydrophobicContact CG-CD2 4.38Å; P239-F246 HydrophobicContact CG-CE1 4.08Å; P239-F246 HydrophobicContact CG-CE2 4.26Å; P239-F246 HydrophobicContact CG-CG 4.38Å; P239-F246 HydrophobicContact CG-CZ 4.11Å; L242-F246 HydrophobicContact CB-CE2 4.47Å; L242-F246 WeakPolarHBondContact O-CD2 3.48Å; L242-F246 PolarHBondContact O-N 2.84Å; F246-R250 CarbonylContact C-O 3.41Å; F246-R250 WeakPolarHBondContact CA-O 3.29Å; F246-R250 WeakPolarHBondContact CB-O 3.17Å; F246-R250 WeakPolarHBondContact CD1-O 3.3Å; F246-P252 HydrophobicContact CD1-CB 4.34Å; F246-P358 HydrophobicContact CB-CB 4.39Å
247K76.4Confident83.4Confident143 Ų14373 Ų7362%0.62237%0.369SS*.  trans-121154.5178.5-67.6-178.9179173.80111.7G244 Y245 I249 R250G244-K247 WeakPolarHBondContact O-CD 3.36Å; Y245-K247 PolarHBondContact O-N 3.07Å; K247-I249 PolarHBondContact O-N 3.1Å; K247-R250 PolarHBondContact O-N 3.46Å
248G79.2Confident84Confident74 Ų7471 Ų7176%0.76336%0.357SS*.THydrogen-bonded Turntrans62-121.7177.900000111.9R250G248-R250 VanDerWaalsContact C-N 3.28Å; G248-R250 PolarHBondContact O-N 2.62Å
249I82.9Confident84.5Confident168 Ų16868 Ų6886%0.86234%0.341SS*.THydrogen-bonded Turntrans-69.7-24.2-179.365.3172.1000113.2K247 R251K247-I249 PolarHBondContact O-N 3.1Å; I249-R251 PolarHBondContact O-N 3.33Å
250R81.7Confident85Confident134 Ų13467.7 Ų67.751%0.50634%0.339SS..  trans-84.945.3-178.4-59.7-176.1-172.9159.81.8111.2F246 K247 G248F246-R250 CarbonylContact C-O 3.41Å; F246-R250 WeakPolarHBondContact CA-O 3.29Å; F246-R250 WeakPolarHBondContact CB-O 3.17Å; F246-R250 WeakPolarHBondContact CD1-O 3.3Å; K247-R250 PolarHBondContact O-N 3.46Å; G248-R250 VanDerWaalsContact C-N 3.28Å; G248-R250 PolarHBondContact O-N 2.62Å
251R80.4Confident85.7Confident136 Ų13661.9 Ų61.951%0.51331%0.312SS..PPolyproline II helixtrans-73.3144.4175.567.6-172.3-168.8172.77.9109.3I249 E383I249-R251 PolarHBondContact O-N 3.33Å; R251-E383 IonicContact CZ-OE1 3.99Å; R251-E383 IonicContact NH2-OE1 3.72Å; R251-E383 PolarHBondContact NH2-OE1 3.41Å
252P82Confident86.2Confident17 Ų1759.5 Ų59.511%0.1130%0.304CS..PPolyproline II helixtrans-64.5152.317528.6-34.9000111.4P239 F246 R254P239-P252 HydrophobicContact CB-CB 4.06Å; P239-P252 HydrophobicContact CB-CG 4.21Å; P239-P252 HydrophobicContact CG-CB 3.5Å; P239-P252 VanDerWaalsContact CG-CB 3.5Å; P239-P252 HydrophobicContact CG-CG 4.19Å; F246-P252 HydrophobicContact CD1-CB 4.34Å; P252-R254 PolarHBondContact O-N 2.63Å
253W83.9Confident86.5Confident112 Ų11256.6 Ų56.642%0.42430%0.296SS..PPolyproline II helixtrans-62.2128.1172.2-52.4106.9000109.5V256 E383 K384W253-V256 HydrophobicContact CB-CG2 4.46Å; W253-E383 HydrophobicContact CE3-CB 3.56Å; W253-E383 HydrophobicContact CE3-CG 4.39Å; W253-E383 HydrophobicContact CZ3-CB 3.9Å; W253-K384 HydrophobicContact CG-CB 4.49Å
254R83.3Confident87.1Confident54 Ų5454.7 Ų54.720%0.20428%0.283CS..SBendtrans-95.1-24.1-179.3-62.3-175.7178.8-77.29.4113P252 I351 V364P252-R254 PolarHBondContact O-N 2.63Å; R254-I351 PolarHBondContact NH1-O 2.95Å; R254-V364 PolarHBondContact O-N 2.57Å
255G90.2Very high87.5Confident0 Ų053.5 Ų53.50%027%0.271CS..EExtended strand (participates in β ladder)trans-127119.7179.500000110.9V364 E383 K384G255-V364 WeakPolarHBondContact CA-O 3.47Å; G255-E383 PolarHBondContact O-N 3.23Å; G255-K384 PolarHBondContact O-N 2.99Å
256V92Very high87.8Confident1 Ų148 Ų481%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-120.2127.4173.6-175.60000108.9L232 W253 L363 V364 L365 A366 K384 V386L232-V256 HydrophobicContact CD2-CG1 4.05Å; W253-V256 HydrophobicContact CB-CG2 4.46Å; V256-L363 HydrophobicContact CG2-CD1 4.24Å; V256-V364 PolarHBondContact N-O 2.93Å; V256-L365 HydrophobicContact CB-CD2 3.82Å; V256-L365 HydrophobicContact CG1-CD2 4.49Å; V256-L365 HydrophobicContact CG2-CD2 4.38Å; V256-L365 CarbonylContact O-C 3.56Å; V256-L365 WeakPolarHBondContact O-CA 3.21Å; V256-A366 PolarHBondContact O-N 3.42Å; V256-K384 CarbonylContact C-O 3.55Å; V256-K384 WeakPolarHBondContact CA-O 3.49Å; V256-K384 HydrophobicContact CG1-CB 4.41Å; V256-K384 HydrophobicContact CG2-CB 4.27Å; V256-V386 HydrophobicContact CG1-CG2 4.45Å
257C93.5Very high88.3Confident0 Ų048.9 Ų48.90%026%0.257CS..EExtended strand (participates in β ladder)trans-109.3122.3176.7-171.90000110.6A366 L382 K384 R385 V386C257-A366 CarbonylContact C-O 3.49Å; C257-A366 WeakPolarHBondContact CA-O 3.49Å; C257-L382 HydrophobicContact CB-CB 3.95Å; C257-L382 HydrophobicContact CB-CD1 3.86Å; C257-L382 HydrophobicContact CB-CD2 4.3Å; C257-L382 HydrophobicContact CB-CG 4.24Å; C257-K384 PolarHBondContact N-O 3.48Å; C257-R385 HydrophobicContact CB-CG 4.11Å; C257-R385 CarbonylContact O-C 3.6Å; C257-R385 VanDerWaalsContact O-CA 3.31Å; C257-R385 WeakPolarHBondContact O-CA 3.17Å; C257-V386 PolarHBondContact O-N 3.33Å
258M94.5Very high89.1Confident0 Ų045.6 Ų45.60%025%0.246CC..EExtended strand (participates in β ladder)trans-92.6115.8170.5-63175-69.900108.5K266 L269 A270 F317 A366 A367 T368 V386 I388M258-K266 HydrophobicContact CB-CB 4.41Å; M258-K266 HydrophobicContact CB-CD 4.15Å; M258-K266 HydrophobicContact CB-CG 4.1Å; M258-K266 WeakPolarHBondContact CE-O 3.42Å; M258-K266 WeakPolarHBondContact O-CD 3.19Å; M258-L269 HydrophobicContact SD-CB 4.26Å; M258-L269 HydrophobicContact SD-CD2 3.85Å; M258-L269 HydrophobicContact SD-CG 4.41Å; M258-A270 HydrophobicContact CE-CB 4.13Å; M258-F317 HydrophobicContact CE-CD2 4.25Å; M258-F317 HydrophobicContact CE-CE2 3.65Å; M258-A366 PolarHBondContact N-O 3.38Å; M258-A367 HydrophobicContact CE-CB 4.41Å; M258-A367 WeakPolarHBondContact O-CA 3.42Å; M258-T368 PolarHBondContact O-N 3.38Å; M258-T368 VanDerWaalsContact O-N 3.07Å; M258-V386 WeakPolarHBondContact CA-O 3.46Å; M258-I388 HydrophobicContact CB-CD1 3.97Å; M258-I388 HydrophobicContact CB-CG1 4.29Å; M258-I388 HydrophobicContact CG-CD1 4.03Å; M258-I388 HydrophobicContact SD-CD1 3.94Å
259V94Very high89.8Confident0 Ų042 Ų420%021%0.21CC..EExtended strand (participates in β ladder)trans-111147.7179.2-53.50000109.2T368 P371 V386 L387 I388 W493 M494V259-T368 HydrophobicContact CB-CG2 4.36Å; V259-T368 HydrophobicContact CG1-CG2 3.79Å; V259-P371 HydrophobicContact CB-CB 4.08Å; V259-P371 HydrophobicContact CB-CG 4.23Å; V259-P371 HydrophobicContact CG1-CB 3.78Å; V259-P371 HydrophobicContact CG1-CG 4.47Å; V259-V386 WeakPolarHBondContact CG2-O 3.48Å; V259-V386 PolarHBondContact N-O 3.37Å; V259-L387 HydrophobicContact CG2-CB 4.25Å; V259-L387 HydrophobicContact CG2-CD1 4.03Å; V259-L387 CarbonylContact O-C 3.51Å; V259-L387 WeakPolarHBondContact O-CA 3.41Å; V259-I388 PolarHBondContact O-N 3.07Å; V259-W493 HydrophobicContact CB-CZ3 4.45Å; V259-W493 HydrophobicContact CG1-CH2 4.05Å; V259-W493 HydrophobicContact CG1-CZ3 3.89Å; V259-W493 HydrophobicContact CG2-CE3 4.39Å; V259-W493 HydrophobicContact CG2-CZ3 4.03Å; V259-M494 HydrophobicContact CG2-CG 4.4Å; V259-M494 HydrophobicContact CG2-SD 3.59Å; V259-M494 VanDerWaalsContact CG2-SD 3.59Å
260G93.5Very high90.2Very high0 Ų034 Ų340%017%0.169CC..  trans151.3175172.600000112.7K266 T368 N369G260-K266 PolarHBondContact O-NZ 2.92Å; G260-T368 PolarHBondContact N-O 3.37Å; G260-N369 PolarHBondContact O-OD1 3.28Å
261P94.1Very high90.6Very high1 Ų131 Ų311%0.00616%0.159CC..  trans-58.8157.8-177.117.1-25.7000112.9T264 K266 I388 L390 V482 L487 Y490P261-T264 HydrophobicContact CB-CG2 4.4Å; P261-T264 HydrophobicContact CG-CG2 3.77Å; P261-T264 PolarHBondContact O-OG1 3.34Å; P261-T264 VanDerWaalsContact O-OG1 3.09Å; P261-K266 PolarHBondContact O-NZ 3.32Å; P261-I388 WeakPolarHBondContact CD-O 3.37Å; P261-L390 HydrophobicContact CG-CD2 4.16Å; P261-L390 HydrophobicContact CG-CG 4.43Å; P261-V482 HydrophobicContact CB-CB 4.45Å; P261-V482 HydrophobicContact CB-CG1 3.98Å; P261-V482 HydrophobicContact CB-CG2 3.55Å; P261-V482 HydrophobicContact CG-CG1 4.44Å; P261-V482 HydrophobicContact CG-CG2 4.38Å; P261-L487 HydrophobicContact CG-CD2 4.35Å; P261-Y490 HydrophobicContact CB-CE2 4.01Å; P261-Y490 HydrophobicContact CG-CE2 4.3Å
262P92.6Very high91.1Very high61 Ų6124.5 Ų24.540%0.39613%0.134SC..THydrogen-bonded Turntrans-61.7154.2174.628.5-35.2000110.9T264P262-T264 VanDerWaalsContact C-N 3.32Å; P262-T264 PolarHBondContact O-N 3.3Å
263G91.7Very high91.5Very high31 Ų3123.7 Ų23.732%0.3213%0.129SC..THydrogen-bonded Turntrans75.28.9174.900000116.4G427 A428G263-G427 CarbonylContact O-C 3.57Å; G263-G427 WeakPolarHBondContact O-CA 3.24Å; G263-G427 PolarHBondContact O-N 3.37Å; G263-A428 PolarHBondContact O-N 3Å
264T92.9Very high91.7Very high11 Ų1118.5 Ų18.57%0.06711%0.11CC..SBendtrans-89.61.6177.758.20000115.1P261 P262 G389 L390P261-T264 HydrophobicContact CB-CG2 4.4Å; P261-T264 HydrophobicContact CG-CG2 3.77Å; P261-T264 PolarHBondContact O-OG1 3.34Å; P261-T264 VanDerWaalsContact O-OG1 3.09Å; P262-T264 VanDerWaalsContact C-N 3.32Å; P262-T264 PolarHBondContact O-N 3.3Å; T264-G389 WeakPolarHBondContact CG2-O 3.46Å; T264-L390 HydrophobicContact CG2-CD2 4.3Å
265G91.7Very high91.9Very high26 Ų2617.2 Ų17.227%0.26811%0.108SC..SBendtrans90.220.9174.200000116.1T267 L268 L269G265-T267 VanDerWaalsContact C-N 3.34Å; G265-T267 PolarHBondContact O-N 3.44Å; G265-L268 WeakPolarHBondContact O-CB 3.34Å; G265-L268 PolarHBondContact O-N 2.84Å; G265-L268 VanDerWaalsContact O-N 3.13Å; G265-L269 WeakPolarHBondContact O-CB 3.19Å; G265-L269 PolarHBondContact O-N 3.04Å
266K93.3Very high91.7Very high11 Ų1120.6 Ų20.65%0.04812%0.124CC..Hα-helixtrans-50.2-50.3174.2-65.6-176.4-70.3-800112.8M258 G260 P261 L269 A270 A367 N369 I388M258-K266 HydrophobicContact CB-CB 4.41Å; M258-K266 HydrophobicContact CB-CD 4.15Å; M258-K266 HydrophobicContact CB-CG 4.1Å; M258-K266 WeakPolarHBondContact CE-O 3.42Å; M258-K266 WeakPolarHBondContact O-CD 3.19Å; G260-K266 PolarHBondContact O-NZ 2.92Å; P261-K266 PolarHBondContact O-NZ 3.32Å; K266-L269 WeakPolarHBondContact O-CB 3.39Å; K266-L269 PolarHBondContact O-N 3.09Å; K266-A270 PolarHBondContact O-N 2.79Å; K266-A270 VanDerWaalsContact O-N 3.08Å; K266-A367 HydrophobicContact CB-CB 3.99Å; K266-A367 HydrophobicContact CD-CB 4.12Å; K266-N369 VanDerWaalsContact CE-OD1 3.24Å; K266-N369 WeakPolarHBondContact CE-OD1 3.5Å; K266-N369 PolarHBondContact NZ-OD1 3.02Å; K266-I388 HydrophobicContact CB-CD1 4.48Å; K266-I388 HydrophobicContact CG-CB 4.37Å; K266-I388 HydrophobicContact CG-CD1 3.86Å; K266-I388 HydrophobicContact CG-CG1 4.31Å
267T91.5Very high91.2Very high46 Ų4622 Ų2228%0.28213%0.133SC..Hα-helixtrans-67-37.1178.6-44.50000112.2G265 L269 A270 K271 F317 D319G265-T267 VanDerWaalsContact C-N 3.34Å; G265-T267 PolarHBondContact O-N 3.44Å; T267-L269 VanDerWaalsContact C-N 3.34Å; T267-A270 PolarHBondContact O-N 2.9Å; T267-K271 WeakPolarHBondContact O-CG 3.48Å; T267-K271 PolarHBondContact O-N 3.42Å; T267-F317 HydrophobicContact CG2-CE1 3.74Å; T267-F317 HydrophobicContact CG2-CZ 4.25Å; T267-D319 PolarHBondContact OG1-OD2 3.04Å
268L92.3Very high90.8Very high74 Ų7431 Ų3139%0.38717%0.173SC..Hα-helixtrans-65.5-39.9176-169.670.2000110.9V217 I222 G265 K271 A272V217-L268 HydrophobicContact CG1-CD1 3.74Å; V217-L268 HydrophobicContact CG1-CG 4.04Å; V217-L268 HydrophobicContact CG2-CD1 3.93Å; I222-L268 HydrophobicContact CD1-CD2 4.5Å; I222-L268 HydrophobicContact CD1-CG 4.16Å; I222-L268 HydrophobicContact CG1-CD2 3.89Å; I222-L268 HydrophobicContact CG1-CG 4.02Å; G265-L268 WeakPolarHBondContact O-CB 3.34Å; G265-L268 PolarHBondContact O-N 2.84Å; G265-L268 VanDerWaalsContact O-N 3.13Å; L268-K271 WeakPolarHBondContact O-CB 3.43Å; L268-K271 PolarHBondContact O-N 2.69Å; L268-A272 PolarHBondContact O-N 3.19Å
269L93Very high90.3Very high0 Ų031.8 Ų31.80%018%0.177CC..Hα-helixtrans-64.8-43177.1-163.770.6000112.2W219 I222 V228 K229 L232 M258 G265 K266 T267 K271 A272 V273 I388W219-L269 HydrophobicContact CE3-CD1 4.41Å; W219-L269 HydrophobicContact CZ3-CD1 3.65Å; W219-L269 HydrophobicContact CZ3-CG 4.43Å; I222-L269 HydrophobicContact CD1-CB 4.35Å; I222-L269 HydrophobicContact CD1-CD1 3.75Å; I222-L269 HydrophobicContact CG2-CD1 4.36Å; V228-L269 HydrophobicContact CB-CD2 4.42Å; V228-L269 HydrophobicContact CG1-CD2 3.49Å; V228-L269 VanDerWaalsContact CG1-CD2 3.49Å; K229-L269 HydrophobicContact CG-CD1 4.14Å; L232-L269 HydrophobicContact CD1-CD1 4.39Å; L232-L269 HydrophobicContact CD1-CD2 3.45Å; L232-L269 VanDerWaalsContact CD1-CD2 3.45Å; L232-L269 HydrophobicContact CD1-CG 3.67Å; M258-L269 HydrophobicContact SD-CB 4.26Å; M258-L269 HydrophobicContact SD-CD2 3.85Å; M258-L269 HydrophobicContact SD-CG 4.41Å; G265-L269 WeakPolarHBondContact O-CB 3.19Å; G265-L269 PolarHBondContact O-N 3.04Å; K266-L269 WeakPolarHBondContact O-CB 3.39Å; K266-L269 PolarHBondContact O-N 3.09Å; T267-L269 VanDerWaalsContact C-N 3.34Å; L269-K271 VanDerWaalsContact C-N 3.32Å; L269-K271 PolarHBondContact O-N 2.98Å; L269-A272 PolarHBondContact O-N 3.31Å; L269-V273 WeakPolarHBondContact O-CG2 3.43Å; L269-V273 PolarHBondContact O-N 3.33Å; L269-I388 HydrophobicContact CD2-CD1 3.61Å
270A91.9Very high90Very high0 Ų033.4 Ų33.40%019%0.187CC..Hα-helixtrans-59.1-43.2174.600000112.3M258 K266 T267 A272 V273 A274 F281 F317 L365M258-A270 HydrophobicContact CE-CB 4.13Å; K266-A270 PolarHBondContact O-N 2.79Å; K266-A270 VanDerWaalsContact O-N 3.08Å; T267-A270 PolarHBondContact O-N 2.9Å; A270-A272 VanDerWaalsContact C-N 3.33Å; A270-A272 PolarHBondContact O-N 3.19Å; A270-V273 PolarHBondContact O-N 3.04Å; A270-A274 PolarHBondContact O-N 3.01Å; A270-A274 VanDerWaalsContact O-N 3.17Å; A270-F281 HydrophobicContact CB-CE2 4.12Å; A270-F281 HydrophobicContact CB-CZ 4.05Å; A270-F317 HydrophobicContact CB-CB 4.32Å; A270-F317 HydrophobicContact CB-CD1 4.19Å; A270-F317 HydrophobicContact CB-CD2 3.36Å; A270-F317 HydrophobicContact CB-CE1 4.41Å; A270-F317 HydrophobicContact CB-CE2 3.61Å; A270-F317 HydrophobicContact CB-CG 3.68Å; A270-F317 HydrophobicContact CB-CZ 4.14Å; A270-L365 HydrophobicContact CB-CD1 4.09Å
271K91.1Very high89.9Confident70 Ų7033.5 Ų33.530%0.30419%0.188SC..Hα-helixtrans-62.6-39175.6-74.9179.3-178.2-176.10112.2P215 V217 T267 L268 L269 A274 T275 F281P215-K271 HydrophobicContact CB-CB 3.81Å; P215-K271 HydrophobicContact CB-CD 4.17Å; P215-K271 HydrophobicContact CB-CG 3.79Å; P215-K271 HydrophobicContact CG-CB 4.23Å; P215-K271 HydrophobicContact CG-CG 4.47Å; P215-K271 WeakPolarHBondContact CG-O 3.24Å; V217-K271 HydrophobicContact CB-CB 4.14Å; V217-K271 HydrophobicContact CG2-CB 3.91Å; V217-K271 HydrophobicContact CG2-CD 4.35Å; T267-K271 WeakPolarHBondContact O-CG 3.48Å; T267-K271 PolarHBondContact O-N 3.42Å; L268-K271 WeakPolarHBondContact O-CB 3.43Å; L268-K271 PolarHBondContact O-N 2.69Å; L269-K271 VanDerWaalsContact C-N 3.32Å; L269-K271 PolarHBondContact O-N 2.98Å; K271-A274 PolarHBondContact O-N 3.08Å; K271-T275 PolarHBondContact O-N 2.76Å; K271-T275 VanDerWaalsContact O-N 3.12Å; K271-T275 PolarHBondContact O-OG1 2.83Å; K271-F281 HydrophobicContact CG-CE1 4.07Å; K271-F281 HydrophobicContact CG-CZ 4.22Å
272A91.2Very high89.8Confident0 Ų033.6 Ų33.60%019%0.188CC..Hα-helixtrans-65.4-43.4175.400000112.5V217 W219 I222 L268 L269 A270 A274 T275 E276V217-A272 HydrophobicContact CB-CB 4.49Å; V217-A272 HydrophobicContact CG1-CB 4.02Å; V217-A272 WeakPolarHBondContact O-CA 3.43Å; W219-A272 HydrophobicContact CD2-CB 4.42Å; W219-A272 HydrophobicContact CE3-CB 3.9Å; W219-A272 HydrophobicContact CZ3-CB 3.98Å; I222-A272 HydrophobicContact CD1-CB 3.47Å; I222-A272 VanDerWaalsContact CD1-CB 3.47Å; L268-A272 PolarHBondContact O-N 3.19Å; L269-A272 PolarHBondContact O-N 3.31Å; A270-A272 VanDerWaalsContact C-N 3.33Å; A270-A272 PolarHBondContact O-N 3.19Å; A272-A274 VanDerWaalsContact C-N 3.29Å; A272-A274 PolarHBondContact O-N 2.75Å; A272-T275 PolarHBondContact O-N 2.86Å; A272-E276 VanDerWaalsContact O-CB 3.3Å; A272-E276 WeakPolarHBondContact O-CB 3.04Å; A272-E276 WeakPolarHBondContact O-CG 3.33Å; A272-E276 PolarHBondContact O-N 3.43Å
273V89.2Confident89.8Confident0 Ų032.3 Ų32.30%018%0.178CC..Hα-helixtrans-53.9-48.2174.7173.70000110.8W219 L232 V236 L269 A270 E276 C277 L365W219-V273 HydrophobicContact CH2-CB 4.38Å; W219-V273 HydrophobicContact CH2-CG2 3.49Å; W219-V273 VanDerWaalsContact CH2-CG2 3.49Å; W219-V273 HydrophobicContact CZ2-CG2 4.13Å; W219-V273 HydrophobicContact CZ3-CG2 4.39Å; L232-V273 HydrophobicContact CB-CG2 4.08Å; L232-V273 HydrophobicContact CD1-CG2 3.81Å; L232-V273 HydrophobicContact CD2-CG2 4.39Å; L232-V273 HydrophobicContact CG-CG2 4.32Å; V236-V273 HydrophobicContact CB-CG1 4.45Å; V236-V273 HydrophobicContact CG1-CG1 4.44Å; V236-V273 HydrophobicContact CG2-CG1 3.85Å; L269-V273 WeakPolarHBondContact O-CG2 3.43Å; L269-V273 PolarHBondContact O-N 3.33Å; A270-V273 PolarHBondContact O-N 3.04Å; V273-E276 PolarHBondContact O-N 3.36Å; V273-C277 VanDerWaalsContact O-CB 3.29Å; V273-C277 WeakPolarHBondContact O-CB 3.34Å; V273-C277 PolarHBondContact O-N 3.33Å; V273-C277 PolarHBondContact O-SG 3.48Å; V273-L365 HydrophobicContact CB-CD1 4.26Å; V273-L365 HydrophobicContact CG1-CD1 4.22Å; V273-L365 HydrophobicContact CG2-CD1 4.4Å
274A88.3Confident89.7Confident2 Ų230.9 Ų30.92%0.01716%0.163CC..Hα-helixtrans-65.6-42.3-177.700000113.3P215 A270 K271 A272 K278 T279 F281P215-A274 HydrophobicContact CG-CB 4.19Å; A270-A274 PolarHBondContact O-N 3.01Å; A270-A274 VanDerWaalsContact O-N 3.17Å; K271-A274 PolarHBondContact O-N 3.08Å; A272-A274 VanDerWaalsContact C-N 3.29Å; A272-A274 PolarHBondContact O-N 2.75Å; A274-K278 PolarHBondContact O-N 2.97Å; A274-T279 PolarHBondContact O-N 3.23Å; A274-F281 HydrophobicContact CB-CB 3.74Å; A274-F281 HydrophobicContact CB-CD2 3.39Å; A274-F281 HydrophobicContact CB-CE2 4.14Å; A274-F281 HydrophobicContact CB-CG 3.77Å
275T88.4Confident89.3Confident27 Ų2732.4 Ų32.417%0.16617%0.172CC..Hα-helixtrans-63.7-43.3178.2-54.40000111.4P215 V217 K271 A272 K278P215-T275 WeakPolarHBondContact CG-OG1 3.27Å; V217-T275 PolarHBondContact N-OG1 3.35Å; V217-T275 WeakPolarHBondContact O-CB 3.33Å; V217-T275 WeakPolarHBondContact O-CG2 3.47Å; V217-T275 PolarHBondContact O-OG1 2.82Å; V217-T275 VanDerWaalsContact O-OG1 3.06Å; K271-T275 PolarHBondContact O-N 2.76Å; K271-T275 VanDerWaalsContact O-N 3.12Å; K271-T275 PolarHBondContact O-OG1 2.83Å; A272-T275 PolarHBondContact O-N 2.86Å; T275-K278 PolarHBondContact O-N 3.12Å
276E85.7Confident88.6Confident71 Ų7132.2 Ų32.233%0.33217%0.167SC..Hα-helixtrans-76.8-33.4-173.8-68.3-83.2176.600111.9R218 W219 A272 V273 K278R218-E276 WeakPolarHBondContact CA-OE1 3.4Å; W219-E276 HydrophobicContact CD2-CG 4.12Å; W219-E276 HydrophobicContact CG-CG 3.85Å; W219-E276 HydrophobicContact CZ2-CB 4.36Å; W219-E276 PolarHBondContact N-OE1 3.19Å; W219-E276 VanDerWaalsContact NE1-CB 3.28Å; A272-E276 VanDerWaalsContact O-CB 3.3Å; A272-E276 WeakPolarHBondContact O-CB 3.04Å; A272-E276 WeakPolarHBondContact O-CG 3.33Å; A272-E276 PolarHBondContact O-N 3.43Å; V273-E276 PolarHBondContact O-N 3.36Å; E276-K278 VanDerWaalsContact C-N 3.33Å
277C81.1Confident87.8Confident30 Ų3036 Ų3620%0.20320%0.195CC..Hα-helixtrans-86.7-4.9175.9-55.30000113V236 V273 T279V236-C277 HydrophobicContact CG1-CB 3.72Å; V236-C277 WeakPolarHBondContact CG1-SG 3.48Å; V273-C277 VanDerWaalsContact O-CB 3.29Å; V273-C277 WeakPolarHBondContact O-CB 3.34Å; V273-C277 PolarHBondContact O-N 3.33Å; V273-C277 PolarHBondContact O-SG 3.48Å; C277-T279 HydrophobicContact CB-CG2 3.8Å; C277-T279 PolarHBondContact O-N 3.44Å
278K84Confident87.1Confident191 Ų19135.1 Ų35.183%0.8319%0.189SC*.THydrogen-bonded Turntrans50.640.7-176.3-57.4179.6-178.51770112.6A274 T275 E276A274-K278 PolarHBondContact O-N 2.97Å; T275-K278 PolarHBondContact O-N 3.12Å; E276-K278 VanDerWaalsContact C-N 3.33Å
279T84.2Confident86.3Confident15 Ų1531.6 Ų31.69%0.09217%0.171CC..PPolyproline II helixtrans-99.7150.8179.362.80000110.7A274 C277 F281 P313 T315A274-T279 PolarHBondContact O-N 3.23Å; C277-T279 HydrophobicContact CB-CG2 3.8Å; C277-T279 PolarHBondContact O-N 3.44Å; T279-F281 PolarHBondContact O-N 3.44Å; T279-P313 WeakPolarHBondContact CB-O 3.47Å; T279-P313 HydrophobicContact CG2-CB 3.97Å; T279-P313 HydrophobicContact CG2-CG 4.23Å; T279-T315 PolarHBondContact OG1-OG1 3.18Å
280T87.9Confident85.3Confident35 Ų3535.8 Ų35.822%0.21520%0.197CC..EExtended strand (participates in β ladder)trans-58.2125169.6-50.70000110.3L211 F282 F311 P313 S314 T315L211-T280 HydrophobicContact CD1-CG2 3.23Å; T280-F282 HydrophobicContact CG2-CD2 4.3Å; T280-F282 HydrophobicContact CG2-CE2 3.57Å; T280-F282 HydrophobicContact CG2-CZ 3.78Å; T280-F311 HydrophobicContact CG2-CB 4.1Å; T280-F311 PolarHBondContact OG1-O 2.86Å; T280-P313 PolarHBondContact N-O 3.44Å; T280-S314 WeakPolarHBondContact CB-OG 3.41Å; T280-S314 WeakPolarHBondContact O-CA 3.38Å; T280-T315 PolarHBondContact O-N 3.24Å
281F92Very high84.1Confident1 Ų137.9 Ų37.90%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-103.4120.4-178.7-169.7-114.2000111.3V212 A270 K271 A274 T279 N283 T315 F317V212-F281 HydrophobicContact CB-CD1 4.08Å; V212-F281 HydrophobicContact CG2-CD1 4.46Å; V212-F281 PolarHBondContact N-O 2.93Å; V212-F281 WeakPolarHBondContact O-CB 3.42Å; A270-F281 HydrophobicContact CB-CE2 4.12Å; A270-F281 HydrophobicContact CB-CZ 4.05Å; K271-F281 HydrophobicContact CG-CE1 4.07Å; K271-F281 HydrophobicContact CG-CZ 4.22Å; A274-F281 HydrophobicContact CB-CB 3.74Å; A274-F281 HydrophobicContact CB-CD2 3.39Å; A274-F281 HydrophobicContact CB-CE2 4.14Å; A274-F281 HydrophobicContact CB-CG 3.77Å; T279-F281 PolarHBondContact O-N 3.44Å; F281-N283 HydrophobicContact CD1-CB 4.15Å; F281-N283 HydrophobicContact CE1-CB 3.77Å; F281-T315 WeakPolarHBondContact CA-O 3.06Å; F281-T315 HydrophobicContact CD2-CG2 4.13Å; F281-T315 HydrophobicContact CE2-CG2 4.28Å; F281-F317 HydrophobicContact CD2-CB 4.45Å; F281-F317 HydrophobicContact CE1-CB 4.34Å; F281-F317 HydrophobicContact CE2-CB 3.44Å; F281-F317 VanDerWaalsContact CE2-CB 3.44Å; F281-F317 HydrophobicContact CE2-CG 4.21Å; F281-F317 HydrophobicContact CZ-CB 3.37Å; F281-F317 AromaticContact CZ-CD1 3.89Å; F281-F317 HydrophobicContact CZ-CD1 3.89Å; F281-F317 AromaticContact CZ-CG 3.81Å; F281-F317 HydrophobicContact CZ-CG 3.81Å
282F92Very high82.6Confident3 Ų344.3 Ų44.31%0.01324%0.239CC..EExtended strand (participates in β ladder)trans-103.2107.5172.4-64.5-88.8000109I210 L211 T280 L304 M307 A308 F311 T315 I316 F317I210-F282 HydrophobicContact CG2-CB 3.6Å; I210-F282 HydrophobicContact CG2-CD1 3.91Å; I210-F282 HydrophobicContact CG2-CG 4.26Å; I210-F282 CarbonylContact O-C 3.59Å; I210-F282 WeakPolarHBondContact O-CA 3.41Å; L211-F282 HydrophobicContact CD1-CD1 4.36Å; L211-F282 HydrophobicContact CD1-CE1 3.89Å; L211-F282 HydrophobicContact CD1-CZ 4.04Å; T280-F282 HydrophobicContact CG2-CD2 4.3Å; T280-F282 HydrophobicContact CG2-CE2 3.57Å; T280-F282 HydrophobicContact CG2-CZ 3.78Å; F282-L304 HydrophobicContact CB-CD1 4Å; F282-L304 HydrophobicContact CD1-CD1 3.76Å; F282-L304 HydrophobicContact CG-CD1 4.03Å; F282-M307 HydrophobicContact CE1-CB 4.28Å; F282-M307 HydrophobicContact CZ-CB 4.35Å; F282-A308 HydrophobicContact CD2-CB 4.04Å; F282-A308 HydrophobicContact CE2-CB 3.73Å; F282-A308 HydrophobicContact CZ-CB 4.23Å; F282-F311 HydrophobicContact CZ-CB 4.44Å; F282-F311 HydrophobicContact CZ-CD2 4.07Å; F282-T315 PolarHBondContact N-O 3.09Å; F282-I316 HydrophobicContact CB-CG1 4.25Å; F282-I316 HydrophobicContact CB-CG2 4.48Å; F282-I316 HydrophobicContact CD2-CG1 4.25Å; F282-F317 PolarHBondContact O-N 2.78Å
283N91.9Very high81.1Confident35 Ų3552.4 Ų52.419%0.18727%0.271CS..EExtended strand (participates in β ladder)trans-91.9100.4177.6-174.523.7000110.9I210 V212 F281 F317I210-N283 PolarHBondContact O-N 3.26Å; V212-N283 HydrophobicContact CG2-CB 4.19Å; F281-N283 HydrophobicContact CD1-CB 4.15Å; F281-N283 HydrophobicContact CE1-CB 3.77Å; N283-F317 WeakPolarHBondContact OD1-CD1 3.38Å
284V90.1Very high79.7Confident0 Ų064.6 Ų64.60%032%0.317CS..EExtended strand (participates in β ladder)trans-101.5121.6-175.6-172.70000109.3I210 L289 L304 I316 F317 I318 D319I210-V284 HydrophobicContact CD1-CG1 4.48Å; I210-V284 HydrophobicContact CD1-CG2 4.15Å; I210-V284 HydrophobicContact CG2-CG2 3.85Å; V284-L289 HydrophobicContact CG1-CD1 3.56Å; V284-L289 HydrophobicContact CG1-CD2 3.88Å; V284-L289 HydrophobicContact CG1-CG 3.52Å; V284-L304 HydrophobicContact CG1-CD2 4.49Å; V284-L304 HydrophobicContact CG2-CD1 4.13Å; V284-L304 HydrophobicContact CG2-CD2 3.63Å; V284-I316 HydrophobicContact CG2-CG2 3.88Å; V284-F317 WeakPolarHBondContact CA-O 3.17Å; V284-F317 WeakPolarHBondContact CB-O 3.1Å; V284-F317 PolarHBondContact N-O 3.44Å; V284-I318 HydrophobicContact CB-CG1 4.25Å; V284-I318 WeakPolarHBondContact O-CA 3.38Å; V284-D319 PolarHBondContact O-N 3.05Å
285T84.6Confident78.9Confident44 Ų4466.3 Ų66.327%0.2733%0.334SS..  trans-109.6159.6170.870.90000110S287 T288 L289T285-S287 VanDerWaalsContact C-N 3.27Å; T285-S287 PolarHBondContact O-N 2.81Å; T285-S287 PolarHBondContact OG1-OG 3.13Å; T285-T288 WeakPolarHBondContact O-CB 3.48Å; T285-T288 PolarHBondContact O-N 2.72Å; T285-T288 PolarHBondContact OG1-OG1 3.41Å; T285-L289 PolarHBondContact O-N 3.38Å
286S77.3Confident78.5Confident22 Ų2266.6 Ų66.615%0.15434%0.335CS..Hα-helixtrans-60.9-36.7-179.2-51.40000113.2T288 L289 T290 S323S286-T288 PolarHBondContact O-N 2.84Å; S286-L289 PolarHBondContact O-N 3.01Å; S286-T290 PolarHBondContact O-N 3.34Å; S286-T290 VanDerWaalsContact O-N 3.11Å; S286-T290 PolarHBondContact O-OG1 3.24Å; S286-S323 WeakPolarHBondContact CB-OG 3.12Å; S286-S323 PolarHBondContact OG-OG 2.97Å
287S76.6Confident78.4Confident90 Ų9063.7 Ų63.763%0.62932%0.322SS*.Hα-helixtrans-60.4-33.5173.540.20000113T285 T290T285-S287 VanDerWaalsContact C-N 3.27Å; T285-S287 PolarHBondContact O-N 2.81Å; T285-S287 PolarHBondContact OG1-OG 3.13Å; S287-T290 PolarHBondContact O-OG1 3.18Å
288T77.3Confident78.6Confident27 Ų2764.3 Ų64.317%0.16632%0.322CS..Hα-helixtrans-72.9-34.7-179.8-39.70000111.3D209 I210 T285 S286 L300D209-T288 HydrophobicContact CB-CG2 4.33Å; I210-T288 HydrophobicContact CD1-CG2 3.51Å; I210-T288 HydrophobicContact CG1-CG2 3.62Å; T285-T288 WeakPolarHBondContact O-CB 3.48Å; T285-T288 PolarHBondContact O-N 2.72Å; T285-T288 PolarHBondContact OG1-OG1 3.41Å; S286-T288 PolarHBondContact O-N 2.84Å; T288-L300 WeakPolarHBondContact O-CD2 3.49Å
289L75.5Confident78.8Confident1 Ų158.8 Ų58.81%0.00530%0.298CS..Hα-helixtrans-80.4-23.6179.6-67.7-177.6000113.7V284 T285 S286 S291 S297 L300 V301 I324 V340V284-L289 HydrophobicContact CG1-CD1 3.56Å; V284-L289 HydrophobicContact CG1-CD2 3.88Å; V284-L289 HydrophobicContact CG1-CG 3.52Å; T285-L289 PolarHBondContact O-N 3.38Å; S286-L289 PolarHBondContact O-N 3.01Å; L289-S291 PolarHBondContact O-N 3.2Å; L289-S297 WeakPolarHBondContact O-CB 3.34Å; L289-S297 PolarHBondContact O-OG 2.82Å; L289-L300 HydrophobicContact CD2-CD2 4.12Å; L289-V301 HydrophobicContact CD2-CG2 3.85Å; L289-I324 HydrophobicContact CD1-CD1 3.68Å; L289-V340 HydrophobicContact CB-CG1 4.36Å; L289-V340 HydrophobicContact CD1-CG1 4.49Å
290T70.5Confident78.9Confident88 Ų8858.5 Ų58.554%0.5430%0.296SS..  trans-90.996.4176.9580000110.8S286 S287S286-T290 PolarHBondContact O-N 3.34Å; S286-T290 VanDerWaalsContact O-N 3.11Å; S286-T290 PolarHBondContact O-OG1 3.24Å; S287-T290 PolarHBondContact O-OG1 3.18Å
291S66.8Low79Confident44 Ų4456.8 Ų56.831%0.30829%0.286SS..  trans-82.3156.1173.565.10000111.8L289 Y293 S297L289-S291 PolarHBondContact O-N 3.2Å; S291-Y293 PolarHBondContact O-N 3.2Å; S291-Y293 PolarHBondContact OG-O 3.29Å; S291-Y293 VanDerWaalsContact OG-O 3.1Å; S291-S297 PolarHBondContact N-OG 2.96Å; S291-S297 PolarHBondContact OG-N 2.83Å; S291-S297 PolarHBondContact OG-OG 3.16Å
292K60.6Low78.9Confident205 Ų20560.8 Ų60.889%0.89130%0.301SS*.SBendtrans-67.4-20.3173.9-69.3-177.9-179.7176.50112.9
293Y58.8Low78.7Confident169 Ų16960.7 Ų60.766%0.66330%0.3SS*.SBendtrans-101.8132.1-171.6-61.5-78.8000111.1S291 G295 D296S291-Y293 PolarHBondContact O-N 3.2Å; S291-Y293 PolarHBondContact OG-O 3.29Å; S291-Y293 VanDerWaalsContact OG-O 3.1Å; Y293-G295 PolarHBondContact O-N 3.2Å; Y293-D296 WeakPolarHBondContact CB-OD2 3.35Å
294R60.9Low78.6Confident257 Ų25759.1 Ų59.197%0.9729%0.292SS*.THydrogen-bonded Turntrans-64.1123.4-179-74.5-174169.497.6-1.3110.5
295G71.7Confident78.7Confident37 Ų3759.2 Ų59.238%0.38129%0.292SS..THydrogen-bonded Turntrans96.3-22.1173.400000114.9Y293 S297 E298Y293-G295 PolarHBondContact O-N 3.2Å; G295-S297 VanDerWaalsContact C-N 3.25Å; G295-S297 PolarHBondContact O-N 2.9Å; G295-E298 PolarHBondContact O-N 3.21Å
296D79Confident78.8Confident34 Ų3458 Ų5818%0.18229%0.286CS..Hα-helixtrans-69.9-26.2-180-67.2-25.2000112.4L202 Y293 E298 K299 L300L202-D296 HydrophobicContact CD2-CB 4.48Å; Y293-D296 WeakPolarHBondContact CB-OD2 3.35Å; D296-E298 VanDerWaalsContact C-N 3.33Å; D296-E298 PolarHBondContact O-N 2.93Å; D296-K299 PolarHBondContact O-N 2.93Å; D296-K299 IonicContact OD1-NZ 3.05Å; D296-K299 PolarHBondContact OD1-NZ 2.85Å; D296-L300 WeakPolarHBondContact O-CB 3.25Å; D296-L300 PolarHBondContact O-N 3.06Å
297S83.8Confident79.3Confident9 Ų957 Ų576%0.06328%0.279CS..Hα-helixtrans-61.5-37177.3-45.90000112.9L289 S291 G295 V301L289-S297 WeakPolarHBondContact O-CB 3.34Å; L289-S297 PolarHBondContact O-OG 2.82Å; S291-S297 PolarHBondContact N-OG 2.96Å; S291-S297 PolarHBondContact OG-N 2.83Å; S291-S297 PolarHBondContact OG-OG 3.16Å; G295-S297 VanDerWaalsContact C-N 3.25Å; G295-S297 PolarHBondContact O-N 2.9Å; S297-V301 WeakPolarHBondContact O-CG2 2.88Å; S297-V301 PolarHBondContact O-N 3.35Å
298E85.9Confident79.9Confident43 Ų4352.7 Ų52.720%0.20125%0.249CC..Hα-helixtrans-73-42.8176.6-65.9166.8-134.300111.7G295 D296 L300 V301 R302 R339 E343G295-E298 PolarHBondContact O-N 3.21Å; D296-E298 VanDerWaalsContact C-N 3.33Å; D296-E298 PolarHBondContact O-N 2.93Å; E298-L300 PolarHBondContact O-N 3.43Å; E298-V301 PolarHBondContact O-N 3.04Å; E298-R302 PolarHBondContact O-N 2.64Å; E298-R302 IonicContact OE2-NH2 3.64Å; E298-R302 PolarHBondContact OE2-NH2 3.45Å; E298-R339 HydrophobicContact CG-CB 3.86Å; E298-R339 WeakPolarHBondContact OE1-CB 3.43Å; E298-R339 WeakPolarHBondContact OE1-CD 3.36Å; E298-E343 HydrophobicContact CB-CB 4.46Å; E298-E343 HydrophobicContact CB-CG 4.39Å; E298-E343 HydrophobicContact CG-CB 4.45Å
299K86.9Confident80.4Confident76 Ų7657.4 Ų57.433%0.3326%0.264SS..Hα-helixtrans-58.5-40175.2-66.2178.7-176.2165.80110.7D199 L202 D296 R302 L303D199-K299 IonicContact OD2-NZ 3.31Å; D199-K299 PolarHBondContact OD2-NZ 2.57Å; L202-K299 HydrophobicContact CD1-CB 4.37Å; L202-K299 HydrophobicContact CD1-CD 4.39Å; D296-K299 PolarHBondContact O-N 2.93Å; D296-K299 IonicContact OD1-NZ 3.05Å; D296-K299 PolarHBondContact OD1-NZ 2.85Å; K299-R302 WeakPolarHBondContact O-CB 3.39Å; K299-R302 PolarHBondContact O-N 2.76Å; K299-L303 WeakPolarHBondContact O-CB 3.49Å; K299-L303 PolarHBondContact O-N 3.34Å
300L87.4Confident80.9Confident8 Ų860 Ų604%0.04229%0.285CS..Hα-helixtrans-61.2-43.9178-168.175.2000111.8L202 L206 T288 L289 D296 E298 L303 L304L202-L300 HydrophobicContact CB-CD1 4.43Å; L202-L300 HydrophobicContact CD2-CD1 4.38Å; L206-L300 HydrophobicContact CD1-CD1 3.77Å; L206-L300 HydrophobicContact CD1-CG 4.49Å; L206-L300 HydrophobicContact CD2-CD1 3.47Å; L206-L300 VanDerWaalsContact CD2-CD1 3.47Å; L206-L300 HydrophobicContact CD2-CD2 4.44Å; L206-L300 HydrophobicContact CD2-CG 3.85Å; L206-L300 HydrophobicContact CG-CD1 3.46Å; L206-L300 VanDerWaalsContact CG-CD1 3.46Å; L206-L300 HydrophobicContact CG-CG 4.33Å; T288-L300 WeakPolarHBondContact O-CD2 3.49Å; L289-L300 HydrophobicContact CD2-CD2 4.12Å; D296-L300 WeakPolarHBondContact O-CB 3.25Å; D296-L300 PolarHBondContact O-N 3.06Å; E298-L300 PolarHBondContact O-N 3.43Å; L300-L303 PolarHBondContact O-N 3.37Å; L300-L304 VanDerWaalsContact O-CB 3.3Å; L300-L304 WeakPolarHBondContact O-CB 3.47Å; L300-L304 PolarHBondContact O-N 3.33Å
301V89.5Confident81.6Confident0 Ų059 Ų590%027%0.274CS..Hα-helixtrans-63.2-43.1174.8175.90000111.2L289 S297 E298 L303 L304 F305 V340 E343 L344 Q347L289-V301 HydrophobicContact CD2-CG2 3.85Å; S297-V301 WeakPolarHBondContact O-CG2 2.88Å; S297-V301 PolarHBondContact O-N 3.35Å; E298-V301 PolarHBondContact O-N 3.04Å; V301-L303 PolarHBondContact O-N 3.28Å; V301-L304 PolarHBondContact O-N 3.24Å; V301-F305 HydrophobicContact CG1-CD2 4.22Å; V301-F305 HydrophobicContact CG1-CE2 4.2Å; V301-F305 WeakPolarHBondContact O-CD2 3.42Å; V301-F305 PolarHBondContact O-N 3.1Å; V301-V340 HydrophobicContact CG2-CG1 4.03Å; V301-E343 HydrophobicContact CB-CG 4.03Å; V301-E343 HydrophobicContact CG1-CB 4.41Å; V301-E343 HydrophobicContact CG1-CG 3.96Å; V301-L344 HydrophobicContact CG1-CB 4.27Å; V301-L344 HydrophobicContact CG1-CD1 4.31Å; V301-Q347 HydrophobicContact CG1-CG 4.06Å
302R89.2Confident82.4Confident85 Ų8558 Ų5832%0.32127%0.269SS..Hα-helixtrans-60.1-46.4175.2-69.4-177.4-163.7126.615.4112Y198 E298 K299 F305 A306 E343Y198-R302 HydrophobicContact CE1-CB 4.26Å; E298-R302 PolarHBondContact O-N 2.64Å; E298-R302 IonicContact OE2-NH2 3.64Å; E298-R302 PolarHBondContact OE2-NH2 3.45Å; K299-R302 WeakPolarHBondContact O-CB 3.39Å; K299-R302 PolarHBondContact O-N 2.76Å; R302-F305 PolarHBondContact O-N 3.35Å; R302-A306 WeakPolarHBondContact O-CB 3.48Å; R302-A306 PolarHBondContact O-N 3.15Å; R302-E343 HydrophobicContact CG-CG 3.96Å; R302-E343 WeakPolarHBondContact CG-OE1 3.39Å; R302-E343 IonicContact CZ-OE2 3.88Å; R302-E343 VanDerWaalsContact CZ-OE2 3.29Å; R302-E343 IonicContact NE-OE1 3.81Å; R302-E343 PolarHBondContact NE-OE1 3.41Å; R302-E343 IonicContact NE-OE2 3.04Å; R302-E343 PolarHBondContact NE-OE2 3.02Å; R302-E343 IonicContact NH2-OE2 3.77Å; R302-E343 PolarHBondContact NH2-OE2 3.19Å
303L88.6Confident83.5Confident0 Ų050.8 Ų50.80%024%0.242CC..Hα-helixtrans-64.3-45.4180178.956.8000111.3W194 Y198 L202 V203 L206 K299 L300 V301 F305 A306 M307W194-L303 HydrophobicContact CE3-CD1 4.12Å; Y198-L303 HydrophobicContact CD1-CB 3.76Å; Y198-L303 HydrophobicContact CD1-CD1 4.12Å; Y198-L303 HydrophobicContact CD1-CD2 4.22Å; Y198-L303 HydrophobicContact CD1-CG 4.24Å; Y198-L303 HydrophobicContact CD2-CD1 3.65Å; Y198-L303 HydrophobicContact CE1-CB 3.76Å; Y198-L303 HydrophobicContact CE1-CD1 4.44Å; Y198-L303 HydrophobicContact CE2-CD1 4Å; Y198-L303 HydrophobicContact CG-CB 4.26Å; Y198-L303 HydrophobicContact CG-CD1 3.71Å; Y198-L303 HydrophobicContact CG-CD2 4.17Å; Y198-L303 HydrophobicContact CG-CG 4.25Å; L202-L303 HydrophobicContact CB-CD2 4.13Å; V203-L303 HydrophobicContact CB-CD2 4.35Å; V203-L303 HydrophobicContact CG2-CD1 4.18Å; V203-L303 HydrophobicContact CG2-CD2 3.65Å; L206-L303 HydrophobicContact CD1-CB 3.92Å; L206-L303 HydrophobicContact CD1-CD2 3.42Å; L206-L303 VanDerWaalsContact CD1-CD2 3.42Å; L206-L303 HydrophobicContact CD1-CG 3.42Å; L206-L303 VanDerWaalsContact CD1-CG 3.42Å; K299-L303 WeakPolarHBondContact O-CB 3.49Å; K299-L303 PolarHBondContact O-N 3.34Å; L300-L303 PolarHBondContact O-N 3.37Å; V301-L303 PolarHBondContact O-N 3.28Å; L303-F305 VanDerWaalsContact C-N 3.34Å; L303-F305 PolarHBondContact O-N 3.14Å; L303-A306 WeakPolarHBondContact O-CB 3.46Å; L303-A306 PolarHBondContact O-N 3.39Å; L303-A306 VanDerWaalsContact O-N 3.07Å; L303-M307 HydrophobicContact CD1-CG 3.95Å; L303-M307 HydrophobicContact CD1-SD 4.07Å; L303-M307 HydrophobicContact CG-CG 4.36Å; L303-M307 HydrophobicContact CG-SD 4Å; L303-M307 WeakPolarHBondContact O-CB 3.49Å; L303-M307 WeakPolarHBondContact O-CG 3.26Å; L303-M307 PolarHBondContact O-N 3.23Å
304L90.5Very high84.9Confident3 Ų342.8 Ų42.82%0.01621%0.211CC..Hα-helixtrans-52.4-50.2175.1170.767.2000111.8I210 F282 V284 L300 V301 A306 M307 A308 I316I210-L304 HydrophobicContact CD1-CD1 4.49Å; I210-L304 HydrophobicContact CG2-CD1 4.04Å; F282-L304 HydrophobicContact CB-CD1 4Å; F282-L304 HydrophobicContact CD1-CD1 3.76Å; F282-L304 HydrophobicContact CG-CD1 4.03Å; V284-L304 HydrophobicContact CG1-CD2 4.49Å; V284-L304 HydrophobicContact CG2-CD1 4.13Å; V284-L304 HydrophobicContact CG2-CD2 3.63Å; L300-L304 VanDerWaalsContact O-CB 3.3Å; L300-L304 WeakPolarHBondContact O-CB 3.47Å; L300-L304 PolarHBondContact O-N 3.33Å; V301-L304 PolarHBondContact O-N 3.24Å; L304-A306 VanDerWaalsContact C-N 3.35Å; L304-M307 PolarHBondContact O-N 3.11Å; L304-A308 WeakPolarHBondContact O-CB 3.2Å; L304-A308 PolarHBondContact O-N 3.47Å; L304-I316 HydrophobicContact CD2-CG2 4.32Å; L304-I316 HydrophobicContact CG-CD1 4.48Å
305F90.7Very high86.3Confident2 Ų230.6 Ų30.61%0.00917%0.166CC..Hα-helixtrans-74.2-24.5179.4-81.4-108.3000112.9V301 R302 L303 R309 I316 L344 Q347 M348 I351 V364V301-F305 HydrophobicContact CG1-CD2 4.22Å; V301-F305 HydrophobicContact CG1-CE2 4.2Å; V301-F305 WeakPolarHBondContact O-CD2 3.42Å; V301-F305 PolarHBondContact O-N 3.1Å; R302-F305 PolarHBondContact O-N 3.35Å; L303-F305 VanDerWaalsContact C-N 3.34Å; L303-F305 PolarHBondContact O-N 3.14Å; F305-R309 WeakPolarHBondContact O-CB 3.45Å; F305-R309 VanDerWaalsContact O-CG 3.27Å; F305-R309 WeakPolarHBondContact O-CG 3.35Å; F305-R309 PolarHBondContact O-N 3.24Å; F305-R309 PolarHBondContact O-NE 2.96Å; F305-I316 HydrophobicContact CD1-CD1 4.12Å; F305-I316 HydrophobicContact CD2-CD1 4.26Å; F305-I316 HydrophobicContact CE1-CD1 4.13Å; F305-I316 HydrophobicContact CE2-CD1 4.23Å; F305-I316 HydrophobicContact CG-CD1 4.21Å; F305-I316 HydrophobicContact CZ-CD1 4.17Å; F305-L344 HydrophobicContact CE2-CD1 3.59Å; F305-L344 HydrophobicContact CZ-CD1 3.7Å; F305-Q347 HydrophobicContact CB-CB 4.06Å; F305-Q347 HydrophobicContact CB-CG 4.19Å; F305-Q347 HydrophobicContact CD1-CB 3.61Å; F305-Q347 HydrophobicContact CD2-CB 3.73Å; F305-Q347 HydrophobicContact CD2-CG 4.15Å; F305-Q347 HydrophobicContact CE1-CB 3.81Å; F305-Q347 HydrophobicContact CE2-CB 3.96Å; F305-Q347 HydrophobicContact CG-CB 3.54Å; F305-Q347 HydrophobicContact CG-CG 4.11Å; F305-Q347 HydrophobicContact CZ-CB 4Å; F305-M348 HydrophobicContact CE1-CG 4.22Å; F305-M348 HydrophobicContact CZ-CG 4.02Å; F305-I351 HydrophobicContact CD1-CD1 3.8Å; F305-I351 HydrophobicContact CD1-CG1 3.95Å; F305-I351 HydrophobicContact CE1-CD1 3.45Å; F305-I351 VanDerWaalsContact CE1-CD1 3.45Å; F305-I351 HydrophobicContact CE1-CG1 4.01Å; F305-V364 HydrophobicContact CE1-CG2 4.28Å; F305-V364 HydrophobicContact CZ-CG2 4.45Å
306A88.1Confident87.3Confident17 Ų1728.9 Ų28.914%0.1415%0.147CC..Hα-helixtrans-68.9-48.517100000110.7W194 R302 L303 L304 R309 A310W194-A306 WeakPolarHBondContact CH2-O 3.28Å; W194-A306 HydrophobicContact CZ3-CB 3.89Å; R302-A306 WeakPolarHBondContact O-CB 3.48Å; R302-A306 PolarHBondContact O-N 3.15Å; L303-A306 WeakPolarHBondContact O-CB 3.46Å; L303-A306 PolarHBondContact O-N 3.39Å; L303-A306 VanDerWaalsContact O-N 3.07Å; L304-A306 VanDerWaalsContact C-N 3.35Å; A306-R309 PolarHBondContact O-N 2.77Å; A306-A310 PolarHBondContact O-N 3.13Å; A306-A310 VanDerWaalsContact O-N 3.08Å
307M87.5Confident88Confident1 Ų127.2 Ų27.21%0.00514%0.139CC..Hα-helixtrans-59.5-49.5175.3-69.9176.775.300111.4W194 V203 L206 E207 F282 L303 L304 R309 A310 F311W194-M307 HydrophobicContact CD2-CG 4.02Å; W194-M307 HydrophobicContact CE3-CG 4.16Å; W194-M307 HydrophobicContact CH2-CB 4.42Å; W194-M307 HydrophobicContact CH2-CG 4.16Å; W194-M307 HydrophobicContact CZ2-CB 4.36Å; W194-M307 HydrophobicContact CZ2-CG 4.03Å; W194-M307 HydrophobicContact CZ3-CG 4.23Å; V203-M307 HydrophobicContact CG1-CE 4.48Å; L206-M307 HydrophobicContact CB-SD 4.16Å; L206-M307 HydrophobicContact CD1-SD 3.82Å; E207-M307 HydrophobicContact CG-CE 3.54Å; F282-M307 HydrophobicContact CE1-CB 4.28Å; F282-M307 HydrophobicContact CZ-CB 4.35Å; L303-M307 HydrophobicContact CD1-CG 3.95Å; L303-M307 HydrophobicContact CD1-SD 4.07Å; L303-M307 HydrophobicContact CG-CG 4.36Å; L303-M307 HydrophobicContact CG-SD 4Å; L303-M307 WeakPolarHBondContact O-CB 3.49Å; L303-M307 WeakPolarHBondContact O-CG 3.26Å; L303-M307 PolarHBondContact O-N 3.23Å; L304-M307 PolarHBondContact O-N 3.11Å; M307-R309 PolarHBondContact O-N 3.19Å; M307-A310 PolarHBondContact O-N 3.32Å; M307-F311 HydrophobicContact CB-CD2 4.28Å; M307-F311 HydrophobicContact CB-CE2 4.42Å; M307-F311 HydrophobicContact CE-CE2 4.18Å; M307-F311 WeakPolarHBondContact O-CD2 3.46Å; M307-F311 PolarHBondContact O-N 2.93Å
308A89.1Confident88.5Confident0 Ų026.9 Ų26.90%014%0.136CC..Hα-helixtrans-59.8-31.3178.500000113.2F282 L304 A312 S314 I316 V362F282-A308 HydrophobicContact CD2-CB 4.04Å; F282-A308 HydrophobicContact CE2-CB 3.73Å; F282-A308 HydrophobicContact CZ-CB 4.23Å; L304-A308 WeakPolarHBondContact O-CB 3.2Å; L304-A308 PolarHBondContact O-N 3.47Å; A308-A312 PolarHBondContact O-N 3.18Å; A308-S314 VanDerWaalsContact O-CB 3.22Å; A308-S314 WeakPolarHBondContact O-CB 3.41Å; A308-S314 PolarHBondContact O-OG 2.66Å; A308-S314 VanDerWaalsContact O-OG 3.05Å; A308-I316 HydrophobicContact CB-CD1 3.69Å; A308-I316 HydrophobicContact CB-CG1 3.91Å; A308-V362 HydrophobicContact CB-CG1 4.1Å; A308-V362 HydrophobicContact CB-CG2 4.28Å; A308-V362 WeakPolarHBondContact O-CG2 3.42Å
309R86.9Confident88.7Confident127 Ų12726.4 Ų26.448%0.47914%0.135SC..Hα-helixtrans-74.2-35.3174.5-77.9-178.6-70.1167.6-3.9112.9F305 A306 M307 A312 V362F305-R309 WeakPolarHBondContact O-CB 3.45Å; F305-R309 VanDerWaalsContact O-CG 3.27Å; F305-R309 WeakPolarHBondContact O-CG 3.35Å; F305-R309 PolarHBondContact O-N 3.24Å; F305-R309 PolarHBondContact O-NE 2.96Å; A306-R309 PolarHBondContact O-N 2.77Å; M307-R309 PolarHBondContact O-N 3.19Å; R309-A312 WeakPolarHBondContact O-CB 3.43Å; R309-V362 HydrophobicContact CG-CG2 3.92Å
310A85.5Confident88.9Confident55 Ų5527.6 Ų27.646%0.45514%0.142SC..Hα-helixtrans-73.2-38.4176.100000112.4W194 A306 M307 A312W194-A310 HydrophobicContact CH2-CB 3.32Å; W194-A310 HydrophobicContact CZ2-CB 3.36Å; A306-A310 PolarHBondContact O-N 3.13Å; A306-A310 VanDerWaalsContact O-N 3.08Å; M307-A310 PolarHBondContact O-N 3.32Å; A310-A312 PolarHBondContact O-N 3.17Å
311F85.4Confident89Confident66 Ų6627.2 Ų27.229%0.28914%0.14SC..THydrogen-bonded Turntrans-84.719175-65.8-67.2000113.2W194 T280 F282 M307 P313 S314W194-F311 HydrophobicContact CZ2-CE2 4.37Å; T280-F311 HydrophobicContact CG2-CB 4.1Å; T280-F311 PolarHBondContact OG1-O 2.86Å; F282-F311 HydrophobicContact CZ-CB 4.44Å; F282-F311 HydrophobicContact CZ-CD2 4.07Å; M307-F311 HydrophobicContact CB-CD2 4.28Å; M307-F311 HydrophobicContact CB-CE2 4.42Å; M307-F311 HydrophobicContact CE-CE2 4.18Å; M307-F311 WeakPolarHBondContact O-CD2 3.46Å; M307-F311 PolarHBondContact O-N 2.93Å; F311-P313 CarbonylContact O-C 3.53Å; F311-S314 PolarHBondContact O-OG 2.99Å
312A83.3Confident89Confident25 Ų2528.1 Ų28.121%0.20715%0.145CC..  trans-63.6137.8-179.300000111.2A308 R309 A310 K360A308-A312 PolarHBondContact O-N 3.18Å; R309-A312 WeakPolarHBondContact O-CB 3.43Å; A310-A312 PolarHBondContact O-N 3.17Å; A312-K360 HydrophobicContact CB-CB 4.23Å
313P84.6Confident88.7Confident52 Ų5226.9 Ų26.934%0.33815%0.149SC..SBendcis-75.6132.66.631.7-36000113.1T279 T280 F311T279-P313 WeakPolarHBondContact CB-O 3.47Å; T279-P313 HydrophobicContact CG2-CB 3.97Å; T279-P313 HydrophobicContact CG2-CG 4.23Å; T280-P313 PolarHBondContact N-O 3.44Å; F311-P313 CarbonylContact O-C 3.53Å
314S88.1Confident88.4Confident2 Ų227.2 Ų27.21%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-134.2144.5-173.8-77.10000111.9T280 A308 F311 G361 V362 L363T280-S314 WeakPolarHBondContact CB-OG 3.41Å; T280-S314 WeakPolarHBondContact O-CA 3.38Å; A308-S314 VanDerWaalsContact O-CB 3.22Å; A308-S314 WeakPolarHBondContact O-CB 3.41Å; A308-S314 PolarHBondContact O-OG 2.66Å; A308-S314 VanDerWaalsContact O-OG 3.05Å; F311-S314 PolarHBondContact O-OG 2.99Å; S314-G361 PolarHBondContact N-O 3.37Å; S314-V362 WeakPolarHBondContact O-CA 3.4Å; S314-L363 PolarHBondContact O-N 2.9Å
315T90.1Very high87.8Confident1 Ų127 Ų271%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-115.5117.1174.5-60.40000109.1T279 T280 F281 F282 L363 L365T279-T315 PolarHBondContact OG1-OG1 3.18Å; T280-T315 PolarHBondContact O-N 3.24Å; F281-T315 WeakPolarHBondContact CA-O 3.06Å; F281-T315 HydrophobicContact CD2-CG2 4.13Å; F281-T315 HydrophobicContact CE2-CG2 4.28Å; F282-T315 PolarHBondContact N-O 3.09Å; T315-L363 CarbonylContact C-O 3.53Å; T315-L363 WeakPolarHBondContact CA-O 3.45Å; T315-L363 HydrophobicContact CG2-CD2 4.28Å; T315-L365 HydrophobicContact CG2-CD1 3.63Å; T315-L365 HydrophobicContact CG2-CG 3.86Å
316I92.7Very high87Confident0 Ų028.8 Ų28.80%016%0.162CC..EExtended strand (participates in β ladder)trans-95.1117.8171.5-56.7175.3000107.8F282 V284 L304 F305 A308 I318 V362 L363 V364 L365F282-I316 HydrophobicContact CB-CG1 4.25Å; F282-I316 HydrophobicContact CB-CG2 4.48Å; F282-I316 HydrophobicContact CD2-CG1 4.25Å; V284-I316 HydrophobicContact CG2-CG2 3.88Å; L304-I316 HydrophobicContact CD2-CG2 4.32Å; L304-I316 HydrophobicContact CG-CD1 4.48Å; F305-I316 HydrophobicContact CD1-CD1 4.12Å; F305-I316 HydrophobicContact CD2-CD1 4.26Å; F305-I316 HydrophobicContact CE1-CD1 4.13Å; F305-I316 HydrophobicContact CE2-CD1 4.23Å; F305-I316 HydrophobicContact CG-CD1 4.21Å; F305-I316 HydrophobicContact CZ-CD1 4.17Å; A308-I316 HydrophobicContact CB-CD1 3.69Å; A308-I316 HydrophobicContact CB-CG1 3.91Å; I316-I318 HydrophobicContact CG2-CG1 4.04Å; I316-V362 HydrophobicContact CD1-CG1 3.72Å; I316-V362 HydrophobicContact CG1-CG1 3.92Å; I316-L363 PolarHBondContact N-O 3.36Å; I316-V364 CarbonylContact O-C 3.3Å; I316-V364 WeakPolarHBondContact O-CA 3.34Å; I316-L365 PolarHBondContact O-N 3.15Å
317F94.3Very high85.9Confident0 Ų036.9 Ų36.90%019%0.189CC..EExtended strand (participates in β ladder)trans-103.3119.8172.9177.8-114.8000110.1M258 T267 A270 F281 F282 N283 V284 D319 L365 A367M258-F317 HydrophobicContact CE-CD2 4.25Å; M258-F317 HydrophobicContact CE-CE2 3.65Å; T267-F317 HydrophobicContact CG2-CE1 3.74Å; T267-F317 HydrophobicContact CG2-CZ 4.25Å; A270-F317 HydrophobicContact CB-CB 4.32Å; A270-F317 HydrophobicContact CB-CD1 4.19Å; A270-F317 HydrophobicContact CB-CD2 3.36Å; A270-F317 HydrophobicContact CB-CE1 4.41Å; A270-F317 HydrophobicContact CB-CE2 3.61Å; A270-F317 HydrophobicContact CB-CG 3.68Å; A270-F317 HydrophobicContact CB-CZ 4.14Å; F281-F317 HydrophobicContact CD2-CB 4.45Å; F281-F317 HydrophobicContact CE1-CB 4.34Å; F281-F317 HydrophobicContact CE2-CB 3.44Å; F281-F317 VanDerWaalsContact CE2-CB 3.44Å; F281-F317 HydrophobicContact CE2-CG 4.21Å; F281-F317 HydrophobicContact CZ-CB 3.37Å; F281-F317 AromaticContact CZ-CD1 3.89Å; F281-F317 HydrophobicContact CZ-CD1 3.89Å; F281-F317 AromaticContact CZ-CG 3.81Å; F281-F317 HydrophobicContact CZ-CG 3.81Å; F282-F317 PolarHBondContact O-N 2.78Å; N283-F317 WeakPolarHBondContact OD1-CD1 3.38Å; V284-F317 WeakPolarHBondContact CA-O 3.17Å; V284-F317 WeakPolarHBondContact CB-O 3.1Å; V284-F317 PolarHBondContact N-O 3.44Å; F317-D319 HydrophobicContact CD1-CB 4.42Å; F317-D319 HydrophobicContact CE1-CB 3.59Å; F317-D319 HydrophobicContact CZ-CB 3.88Å; F317-L365 CarbonylContact C-O 3.57Å; F317-L365 VanDerWaalsContact CA-O 3.27Å; F317-L365 WeakPolarHBondContact CA-O 3.47Å; F317-L365 HydrophobicContact CD2-CB 3.88Å; F317-A367 HydrophobicContact CE2-CB 3.67Å; F317-A367 HydrophobicContact CZ-CB 3.69Å
318I93.3Very high84.7Confident1 Ų144.7 Ų44.71%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-108.7103.8175.7-52.9176.9000107.5V284 I316 I321 I324 L344 V364 L365 A366 A367V284-I318 HydrophobicContact CB-CG1 4.25Å; V284-I318 WeakPolarHBondContact O-CA 3.38Å; I316-I318 HydrophobicContact CG2-CG1 4.04Å; I318-I321 HydrophobicContact CB-CD1 4.26Å; I318-I321 HydrophobicContact CD1-CD1 4.24Å; I318-I321 HydrophobicContact CG2-CB 3.98Å; I318-I321 HydrophobicContact CG2-CD1 4.05Å; I318-I321 HydrophobicContact CG2-CG1 3.9Å; I318-I324 HydrophobicContact CG2-CD1 4.33Å; I318-L344 HydrophobicContact CD1-CD1 3.9Å; I318-L344 HydrophobicContact CD1-CD2 4.18Å; I318-V364 HydrophobicContact CD1-CG1 4.11Å; I318-L365 PolarHBondContact N-O 3.49Å; I318-A366 WeakPolarHBondContact O-CA 3.28Å; I318-A367 PolarHBondContact O-N 2.99Å
319D91.8Very high83.2Confident33 Ų3348.2 Ų48.218%0.17626%0.255CS..THydrogen-bonded Turntrans-79.3150.8175.2-144.8-16.6000110.7T267 V284 F317 I321 A367T267-D319 PolarHBondContact OG1-OD2 3.04Å; V284-D319 PolarHBondContact O-N 3.05Å; F317-D319 HydrophobicContact CD1-CB 4.42Å; F317-D319 HydrophobicContact CE1-CB 3.59Å; F317-D319 HydrophobicContact CZ-CB 3.88Å; D319-I321 VanDerWaalsContact C-N 3.26Å; D319-I321 PolarHBondContact O-N 2.95Å; D319-A367 WeakPolarHBondContact OD1-CB 3.48Å
320E89.7Confident81.7Confident101 Ų10144.9 Ų44.947%0.47225%0.251SS..THydrogen-bonded Turntrans47.544.8179.5-57.7-174.1162.200113.9D322 S323 A367E320-D322 PolarHBondContact O-N 3Å; E320-S323 WeakPolarHBondContact O-CB 3.38Å; E320-S323 PolarHBondContact O-N 3.43Å; E320-S323 PolarHBondContact O-OG 2.97Å; E320-A367 WeakPolarHBondContact CA-O 3.32Å; E320-A367 PolarHBondContact N-O 3.43Å; E320-A367 VanDerWaalsContact N-O 3.11Å
321I90.5Very high80.3Confident0 Ų052.2 Ų52.20%028%0.276CS..G310 helixtrans-59.1-22.9-172.3-166.3164.2000113.5I318 D319 S323 I324 C325 A366 A367 L374 L378 L382I318-I321 HydrophobicContact CB-CD1 4.26Å; I318-I321 HydrophobicContact CD1-CD1 4.24Å; I318-I321 HydrophobicContact CG2-CB 3.98Å; I318-I321 HydrophobicContact CG2-CD1 4.05Å; I318-I321 HydrophobicContact CG2-CG1 3.9Å; D319-I321 VanDerWaalsContact C-N 3.26Å; D319-I321 PolarHBondContact O-N 2.95Å; I321-S323 PolarHBondContact O-N 3.07Å; I321-I324 PolarHBondContact O-N 3.3Å; I321-C325 WeakPolarHBondContact O-CB 3.35Å; I321-C325 PolarHBondContact O-N 3.32Å; I321-A366 HydrophobicContact CB-CB 4.32Å; I321-A366 HydrophobicContact CD1-CB 3.69Å; I321-A366 HydrophobicContact CG2-CB 4.04Å; I321-A367 PolarHBondContact N-O 3.17Å; I321-L374 HydrophobicContact CG2-CD2 3.71Å; I321-L378 HydrophobicContact CD1-CD1 4.1Å; I321-L378 HydrophobicContact CD1-CD2 3.54Å; I321-L378 HydrophobicContact CD1-CG 4.34Å; I321-L378 HydrophobicContact CG1-CD2 3.67Å; I321-L378 HydrophobicContact CG2-CD2 4.49Å; I321-L382 HydrophobicContact CD1-CD1 4.48Å
322D88.1Confident79.2Confident20 Ų2053.3 Ų53.311%0.10729%0.291CS..G310 helixtrans-60.3-29.3173.850.1-78.2000113.3E320 I324 S326 T368 F370 L374E320-D322 PolarHBondContact O-N 3Å; D322-I324 VanDerWaalsContact C-N 3.35Å; D322-I324 PolarHBondContact O-N 2.68Å; D322-S326 WeakPolarHBondContact O-CA 3.42Å; D322-S326 WeakPolarHBondContact O-CB 3.47Å; D322-S326 PolarHBondContact O-N 2.79Å; D322-S326 VanDerWaalsContact O-N 3.1Å; D322-T368 WeakPolarHBondContact CB-OG1 3.31Å; D322-T368 VanDerWaalsContact CG-OG1 3.24Å; D322-T368 VanDerWaalsContact OD1-CB 3.28Å; D322-T368 WeakPolarHBondContact OD1-CB 3.47Å; D322-T368 PolarHBondContact OD1-OG1 3.35Å; D322-F370 HydrophobicContact CB-CB 4.41Å; D322-F370 WeakPolarHBondContact OD2-CD2 3.46Å; D322-L374 HydrophobicContact CB-CD2 4.09Å
323S84.3Confident78.5Confident58 Ų5853.1 Ų53.141%0.40629%0.286SS..G310 helixtrans-71.2-27178640000113.7S286 E320 I321S286-S323 WeakPolarHBondContact CB-OG 3.12Å; S286-S323 PolarHBondContact OG-OG 2.97Å; E320-S323 WeakPolarHBondContact O-CB 3.38Å; E320-S323 PolarHBondContact O-N 3.43Å; E320-S323 PolarHBondContact O-OG 2.97Å; I321-S323 PolarHBondContact O-N 3.07Å
324I81.2Confident78.1Confident7 Ų758 Ų584%0.03630%0.304CS..THydrogen-bonded Turntrans-94.4-33.7176.5-59152.8000110.8L289 I318 I321 D322 S337 V340L289-I324 HydrophobicContact CD1-CD1 3.68Å; I318-I324 HydrophobicContact CG2-CD1 4.33Å; I321-I324 PolarHBondContact O-N 3.3Å; D322-I324 VanDerWaalsContact C-N 3.35Å; D322-I324 PolarHBondContact O-N 2.68Å; I324-S337 PolarHBondContact O-OG 3.35Å; I324-V340 HydrophobicContact CG2-CG1 3.85Å
325C78.8Confident77.7Confident0 Ų062.4 Ų62.40%033%0.325CS..SBendtrans-116.838-169.9-66.10000113.2I321 D375 L378I321-C325 WeakPolarHBondContact O-CB 3.35Å; I321-C325 PolarHBondContact O-N 3.32Å; C325-D375 PolarHBondContact O-N 3.1Å; C325-D375 VanDerWaalsContact O-N 3.16Å; C325-L378 HydrophobicContact CB-CD2 3.39Å; C325-L378 HydrophobicContact CB-CG 4.49Å
326S72.8Confident77.2Confident39 Ų3965 Ų6527%0.27335%0.346SS..BIsolated β-bridgetrans-62.6159.717865.10000112.4D322 R328 K341 D373D322-S326 WeakPolarHBondContact O-CA 3.42Å; D322-S326 WeakPolarHBondContact O-CB 3.47Å; D322-S326 PolarHBondContact O-N 2.79Å; D322-S326 VanDerWaalsContact O-N 3.1Å; S326-R328 PolarHBondContact O-N 3.45Å; S326-K341 PolarHBondContact O-NZ 3.15Å; S326-D373 CarbonylContact C-O 3.58Å; S326-D373 VanDerWaalsContact C-O 3.3Å; S326-D373 VanDerWaalsContact CA-O 3.27Å; S326-D373 WeakPolarHBondContact CA-O 3.33Å
327R66.7Low76.6Confident186 Ų18666.2 Ų66.270%0.70235%0.354SS*.PPolyproline II helixtrans-64.1128.5-179-169.8172.6178.81630.1110G329 D373R327-G329 PolarHBondContact O-N 2.89Å; R327-D373 PolarHBondContact N-O 3.49Å
328R61.1Low76.1Confident166 Ų16670.7 Ų70.763%0.62637%0.372SS*.SBendtrans-55.3127.3175.4-64.4174.3177.9-124.8-3.6109.3S326 D375S326-R328 PolarHBondContact O-N 3.45Å; R328-D375 IonicContact NE-OD2 2.77Å
329G57.2Low75.7Confident74 Ų7476 Ų7676%0.76339%0.391SS*.  trans156.8-11.6169.200000118.1R327R327-G329 PolarHBondContact O-N 2.89Å
330S55.4Low75.5Confident56 Ų5674.6 Ų74.639%0.39238%0.384SS..  trans-90132.5170.3660000110.3S332 E333S330-S332 WeakPolarHBondContact CB-OG 3.36Å; S330-S332 PolarHBondContact O-N 2.99Å; S330-S332 PolarHBondContact OG-OG 3.44Å; S330-E333 PolarHBondContact O-N 3.49Å; S330-E333 VanDerWaalsContact O-N 3.09Å
331E56Low75.4Confident210 Ų21070 Ų7098%0.98136%0.362SS*.THydrogen-bonded Turntrans-57.3-10.9167.9-75.7-176.3148.200112.5
332S63.5Low75.4Confident88 Ų8872.4 Ų72.462%0.61538%0.38SS*.THydrogen-bonded Turntrans-84.3-5.9176.362.50000115.3S330 H334S330-S332 WeakPolarHBondContact CB-OG 3.36Å; S330-S332 PolarHBondContact O-N 2.99Å; S330-S332 PolarHBondContact OG-OG 3.44Å; S332-H334 PolarHBondContact O-N 2.92Å; S332-H334 VanDerWaalsContact O-N 3.12Å
333E68.8Low75.5Confident21 Ų2172.2 Ų72.210%0.09838%0.378CS..  trans-67.9114.4179.7-167.6-172.4-172.700110.4S330 E335 R338S330-E333 PolarHBondContact O-N 3.49Å; S330-E333 VanDerWaalsContact O-N 3.09Å; E333-E335 PolarHBondContact O-N 3.04Å; E333-R338 HydrophobicContact CG-CG 3.97Å; E333-R338 VanDerWaalsContact OE1-CG 3.32Å; E333-R338 WeakPolarHBondContact OE1-CG 3.29Å; E333-R338 WeakPolarHBondContact OE2-CG 3.3Å; E333-R338 IonicContact OE2-CZ 3.7Å; E333-R338 IonicContact OE2-NE 3.69Å; E333-R338 PolarHBondContact OE2-NE 3.21Å; E333-R338 IonicContact OE2-NH2 2.78Å; E333-R338 PolarHBondContact OE2-NH2 3.11Å
334H76.1Confident75.8Confident154 Ų15469.5 Ų69.571%0.71336%0.359SS*.  trans-63129.8178-71.7-57.7000110.8S332 A336 S337 R338S332-H334 PolarHBondContact O-N 2.92Å; S332-H334 VanDerWaalsContact O-N 3.12Å; H334-A336 PolarHBondContact O-N 2.92Å; H334-S337 WeakPolarHBondContact O-CB 3.21Å; H334-S337 PolarHBondContact O-N 3.43Å; H334-R338 PolarHBondContact O-N 3.5Å
335E80.3Confident76.2Confident96 Ų9670 Ų7045%0.44936%0.362SS..Hα-helixtrans-48.5-30.5175.1-80.8-68.7121.200113.8E333 R338 R339E333-E335 PolarHBondContact O-N 3.04Å; E335-R338 IonicContact OE1-CZ 3.29Å; E335-R338 IonicContact OE1-NH1 2.73Å; E335-R338 PolarHBondContact OE1-NH1 3.04Å; E335-R339 VanDerWaalsContact C-NH1 3.29Å; E335-R339 WeakPolarHBondContact O-CG 3.41Å; E335-R339 PolarHBondContact O-N 3.06Å; E335-R339 PolarHBondContact O-NH1 2.91Å; E335-R339 IonicContact OE2-CZ 2.84Å; E335-R339 IonicContact OE2-NH2 3.03Å; E335-R339 PolarHBondContact OE2-NH2 3.37Å
336A78.3Confident76.8Confident55 Ų5574.9 Ų74.946%0.45539%0.387SS..Hα-helixtrans-63.4-46.2174.500000112.7H334 R338 R339 V340H334-A336 PolarHBondContact O-N 2.92Å; A336-R338 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 2.72Å; A336-R339 PolarHBondContact O-N 3.37Å; A336-V340 WeakPolarHBondContact O-CG2 3.43Å; A336-V340 PolarHBondContact O-N 3.1Å; A336-V340 VanDerWaalsContact O-N 3.1Å
337S80.7Confident77.6Confident25 Ų2574.3 Ų74.318%0.17538%0.379CS..Hα-helixtrans-61.4-42178.5170.60000111.3I324 H334 R339 V340 K341I324-S337 PolarHBondContact O-OG 3.35Å; H334-S337 WeakPolarHBondContact O-CB 3.21Å; H334-S337 PolarHBondContact O-N 3.43Å; S337-R339 VanDerWaalsContact C-N 3.33Å; S337-R339 PolarHBondContact O-N 3.02Å; S337-V340 PolarHBondContact O-N 3.33Å; S337-K341 VanDerWaalsContact O-CB 3.32Å; S337-K341 WeakPolarHBondContact O-CB 3.46Å; S337-K341 PolarHBondContact O-N 2.96Å
338R82.8Confident78.6Confident95 Ų9566.1 Ų66.136%0.35835%0.35SS..Hα-helixtrans-57.7-42.5176.3-70.9-179.2177.4164.82.6113.5E333 H334 E335 A336 S342E333-R338 HydrophobicContact CG-CG 3.97Å; E333-R338 VanDerWaalsContact OE1-CG 3.32Å; E333-R338 WeakPolarHBondContact OE1-CG 3.29Å; E333-R338 WeakPolarHBondContact OE2-CG 3.3Å; E333-R338 IonicContact OE2-CZ 3.7Å; E333-R338 IonicContact OE2-NE 3.69Å; E333-R338 PolarHBondContact OE2-NE 3.21Å; E333-R338 IonicContact OE2-NH2 2.78Å; E333-R338 PolarHBondContact OE2-NH2 3.11Å; H334-R338 PolarHBondContact O-N 3.5Å; E335-R338 IonicContact OE1-CZ 3.29Å; E335-R338 IonicContact OE1-NH1 2.73Å; E335-R338 PolarHBondContact OE1-NH1 3.04Å; A336-R338 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 2.72Å; R338-S342 WeakPolarHBondContact O-CB 3.31Å; R338-S342 PolarHBondContact O-N 2.91Å; R338-S342 PolarHBondContact O-OG 3.44Å
339R86Confident79.8Confident112 Ų11261.9 Ų61.942%0.42334%0.339SS..Hα-helixtrans-70.8-43.8179.8-64.6-173.5-165.378.413.9111.6E298 E335 A336 S337 K341 S342 E343E298-R339 HydrophobicContact CG-CB 3.86Å; E298-R339 WeakPolarHBondContact OE1-CB 3.43Å; E298-R339 WeakPolarHBondContact OE1-CD 3.36Å; E335-R339 VanDerWaalsContact C-NH1 3.29Å; E335-R339 WeakPolarHBondContact O-CG 3.41Å; E335-R339 PolarHBondContact O-N 3.06Å; E335-R339 PolarHBondContact O-NH1 2.91Å; E335-R339 IonicContact OE2-CZ 2.84Å; E335-R339 IonicContact OE2-NH2 3.03Å; E335-R339 PolarHBondContact OE2-NH2 3.37Å; A336-R339 PolarHBondContact O-N 3.37Å; S337-R339 VanDerWaalsContact C-N 3.33Å; S337-R339 PolarHBondContact O-N 3.02Å; R339-K341 VanDerWaalsContact C-N 3.33Å; R339-K341 PolarHBondContact O-N 3.36Å; R339-S342 PolarHBondContact O-N 2.74Å; R339-E343 PolarHBondContact O-N 3.39Å
340V87.7Confident80.8Confident4 Ų460 Ų602%0.02432%0.32CS..Hα-helixtrans-56.9-47.5173.9172.90000111L289 V301 I324 A336 S337 S342 E343 L344L289-V340 HydrophobicContact CB-CG1 4.36Å; L289-V340 HydrophobicContact CD1-CG1 4.49Å; V301-V340 HydrophobicContact CG2-CG1 4.03Å; I324-V340 HydrophobicContact CG2-CG1 3.85Å; A336-V340 WeakPolarHBondContact O-CG2 3.43Å; A336-V340 PolarHBondContact O-N 3.1Å; A336-V340 VanDerWaalsContact O-N 3.1Å; S337-V340 PolarHBondContact O-N 3.33Å; V340-S342 PolarHBondContact O-N 3.25Å; V340-E343 PolarHBondContact O-N 3.35Å; V340-L344 WeakPolarHBondContact O-CB 3.09Å; V340-L344 PolarHBondContact O-N 3.48Å
341K87.9Confident81.7Confident3 Ų357.8 Ų57.81%0.01330%0.304CS..Hα-helixtrans-58.9-45.2176178.1179.1-177.1-178.30112.3S326 S337 R339 L344 L345 D375S326-K341 PolarHBondContact O-NZ 3.15Å; S337-K341 VanDerWaalsContact O-CB 3.32Å; S337-K341 WeakPolarHBondContact O-CB 3.46Å; S337-K341 PolarHBondContact O-N 2.96Å; R339-K341 VanDerWaalsContact C-N 3.33Å; R339-K341 PolarHBondContact O-N 3.36Å; K341-L344 PolarHBondContact O-N 3.41Å; K341-L345 HydrophobicContact CG-CD1 4.39Å; K341-L345 VanDerWaalsContact O-CG 3.27Å; K341-L345 WeakPolarHBondContact O-CG 3.29Å; K341-L345 PolarHBondContact O-N 3.23Å; K341-L345 VanDerWaalsContact O-N 3.08Å; K341-D375 WeakPolarHBondContact CE-OD2 3.32Å; K341-D375 VanDerWaalsContact NZ-CB 3.25Å; K341-D375 VanDerWaalsContact NZ-CG 3.3Å; K341-D375 IonicContact NZ-OD2 3.6Å; K341-D375 PolarHBondContact NZ-OD2 2.99Å
342S89Confident81.8Confident52 Ų5250.4 Ų50.436%0.36428%0.278SS..Hα-helixtrans-63.4-43.7179.1-58.50000111.4R338 R339 V340 L345 I346R338-S342 WeakPolarHBondContact O-CB 3.31Å; R338-S342 PolarHBondContact O-N 2.91Å; R338-S342 PolarHBondContact O-OG 3.44Å; R339-S342 PolarHBondContact O-N 2.74Å; V340-S342 PolarHBondContact O-N 3.25Å; S342-L345 PolarHBondContact O-N 2.82Å; S342-I346 VanDerWaalsContact O-CG1 3.32Å; S342-I346 WeakPolarHBondContact O-CG1 3.47Å; S342-I346 PolarHBondContact O-N 2.88Å; S342-I346 VanDerWaalsContact O-N 3.16Å
343E90.3Very high81.3Confident16 Ų1649.4 Ų49.48%0.07528%0.282CS..Hα-helixtrans-65.4-43.5176.9-171.760.7-140.800111.9E298 V301 R302 R339 V340 L345 I346 Q347E298-E343 HydrophobicContact CB-CB 4.46Å; E298-E343 HydrophobicContact CB-CG 4.39Å; E298-E343 HydrophobicContact CG-CB 4.45Å; V301-E343 HydrophobicContact CB-CG 4.03Å; V301-E343 HydrophobicContact CG1-CB 4.41Å; V301-E343 HydrophobicContact CG1-CG 3.96Å; R302-E343 HydrophobicContact CG-CG 3.96Å; R302-E343 WeakPolarHBondContact CG-OE1 3.39Å; R302-E343 IonicContact CZ-OE2 3.88Å; R302-E343 VanDerWaalsContact CZ-OE2 3.29Å; R302-E343 IonicContact NE-OE1 3.81Å; R302-E343 PolarHBondContact NE-OE1 3.41Å; R302-E343 IonicContact NE-OE2 3.04Å; R302-E343 PolarHBondContact NE-OE2 3.02Å; R302-E343 IonicContact NH2-OE2 3.77Å; R302-E343 PolarHBondContact NH2-OE2 3.19Å; R339-E343 PolarHBondContact O-N 3.39Å; V340-E343 PolarHBondContact O-N 3.35Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 3.3Å; E343-I346 PolarHBondContact O-N 3.39Å; E343-I346 VanDerWaalsContact O-N 3.16Å; E343-Q347 HydrophobicContact CG-CG 4.44Å; E343-Q347 WeakPolarHBondContact O-CG 3.49Å; E343-Q347 PolarHBondContact O-N 3.19Å; E343-Q347 PolarHBondContact OE1-NE2 3.39Å
344L90.7Very high80.4Confident1 Ų150.7 Ų50.71%0.00530%0.301CS..Hα-helixtrans-56.9-45176.9-179.763.6000111.4V301 F305 I318 V340 K341 I346 Q347 M348V301-L344 HydrophobicContact CG1-CB 4.27Å; V301-L344 HydrophobicContact CG1-CD1 4.31Å; F305-L344 HydrophobicContact CE2-CD1 3.59Å; F305-L344 HydrophobicContact CZ-CD1 3.7Å; I318-L344 HydrophobicContact CD1-CD1 3.9Å; I318-L344 HydrophobicContact CD1-CD2 4.18Å; V340-L344 WeakPolarHBondContact O-CB 3.09Å; V340-L344 PolarHBondContact O-N 3.48Å; K341-L344 PolarHBondContact O-N 3.41Å; L344-I346 PolarHBondContact O-N 3.06Å; L344-Q347 PolarHBondContact O-N 3.16Å; L344-M348 HydrophobicContact CD1-CG 4.44Å; L344-M348 HydrophobicContact CG-SD 4.3Å; L344-M348 VanDerWaalsContact O-CG 3.28Å; L344-M348 WeakPolarHBondContact O-CG 3.5Å; L344-M348 PolarHBondContact O-N 2.94Å
345L90.5Very high79.2Confident17 Ų1746.8 Ų46.89%0.08930%0.302CS..Hα-helixtrans-62.8-42.1177.5-68.1170.6000112.2K341 S342 E343 M348 D349 A377 L378K341-L345 HydrophobicContact CG-CD1 4.39Å; K341-L345 VanDerWaalsContact O-CG 3.27Å; K341-L345 WeakPolarHBondContact O-CG 3.29Å; K341-L345 PolarHBondContact O-N 3.23Å; K341-L345 VanDerWaalsContact O-N 3.08Å; S342-L345 PolarHBondContact O-N 2.82Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 3.3Å; L345-M348 PolarHBondContact O-N 3.47Å; L345-D349 PolarHBondContact O-N 2.88Å; L345-D349 VanDerWaalsContact O-N 3.1Å; L345-A377 HydrophobicContact CD1-CB 3.77Å; L345-A377 HydrophobicContact CD2-CB 4.3Å; L345-L378 HydrophobicContact CD2-CB 4.08Å; L345-L378 HydrophobicContact CD2-CD1 3.98Å
346I90.7Very high78Confident103 Ų10346.2 Ų46.253%0.52832%0.322SS..Hα-helixtrans-62-44.7176.2-67.9164.8000110.4S342 E343 L344 D349 G350S342-I346 VanDerWaalsContact O-CG1 3.32Å; S342-I346 WeakPolarHBondContact O-CG1 3.47Å; S342-I346 PolarHBondContact O-N 2.88Å; S342-I346 VanDerWaalsContact O-N 3.16Å; E343-I346 PolarHBondContact O-N 3.39Å; E343-I346 VanDerWaalsContact O-N 3.16Å; L344-I346 PolarHBondContact O-N 3.06Å; I346-D349 PolarHBondContact O-N 3.25Å; I346-G350 PolarHBondContact O-N 3.35Å
347Q90.4Very high77.2Confident26 Ų2647 Ų4712%0.12132%0.319CS..Hα-helixtrans-67.2-39.4179.4-66.8-55.1-39.600112.5V301 F305 E343 L344 D349 G350 I351V301-Q347 HydrophobicContact CG1-CG 4.06Å; F305-Q347 HydrophobicContact CB-CB 4.06Å; F305-Q347 HydrophobicContact CB-CG 4.19Å; F305-Q347 HydrophobicContact CD1-CB 3.61Å; F305-Q347 HydrophobicContact CD2-CB 3.73Å; F305-Q347 HydrophobicContact CD2-CG 4.15Å; F305-Q347 HydrophobicContact CE1-CB 3.81Å; F305-Q347 HydrophobicContact CE2-CB 3.96Å; F305-Q347 HydrophobicContact CG-CB 3.54Å; F305-Q347 HydrophobicContact CG-CG 4.11Å; F305-Q347 HydrophobicContact CZ-CB 4Å; E343-Q347 HydrophobicContact CG-CG 4.44Å; E343-Q347 WeakPolarHBondContact O-CG 3.49Å; E343-Q347 PolarHBondContact O-N 3.19Å; E343-Q347 PolarHBondContact OE1-NE2 3.39Å; L344-Q347 PolarHBondContact O-N 3.16Å; Q347-D349 VanDerWaalsContact C-N 3.33Å; Q347-D349 PolarHBondContact O-N 2.84Å; Q347-G350 WeakPolarHBondContact O-CA 3.44Å; Q347-G350 PolarHBondContact O-N 3.06Å; Q347-G350 VanDerWaalsContact O-N 3.1Å; Q347-I351 PolarHBondContact O-N 3.38Å
348M88.2Confident76.3Confident15 Ų1547 Ų477%0.07432%0.318CS..Hα-helixtrans-61.5-40.2174.8-73.2-179.281.900112.3F305 L344 L345 G350 I351 V364 L378 R381 L382F305-M348 HydrophobicContact CE1-CG 4.22Å; F305-M348 HydrophobicContact CZ-CG 4.02Å; L344-M348 HydrophobicContact CD1-CG 4.44Å; L344-M348 HydrophobicContact CG-SD 4.3Å; L344-M348 VanDerWaalsContact O-CG 3.28Å; L344-M348 WeakPolarHBondContact O-CG 3.5Å; L344-M348 PolarHBondContact O-N 2.94Å; L345-M348 PolarHBondContact O-N 3.47Å; M348-G350 VanDerWaalsContact C-N 3.31Å; M348-I351 PolarHBondContact O-N 3.43Å; M348-V364 HydrophobicContact CE-CB 4.38Å; M348-V364 HydrophobicContact CE-CG1 4.11Å; M348-L378 HydrophobicContact CE-CD1 4.24Å; M348-L378 HydrophobicContact SD-CD1 3.63Å; M348-R381 HydrophobicContact CB-CB 4.41Å; M348-R381 HydrophobicContact CB-CG 4.14Å; M348-R381 HydrophobicContact CE-CB 3.6Å; M348-R381 HydrophobicContact SD-CB 4.18Å; M348-L382 HydrophobicContact CE-CD2 3.94Å; M348-L382 HydrophobicContact CE-CG 4.37Å
349D84.3Confident75.3Confident76 Ų7644.5 Ų44.541%0.40631%0.314SS..Hα-helixtrans-66.8-35.5173.7-71-18.1000111.3L345 I346 Q347 I351 A352 R381L345-D349 PolarHBondContact O-N 2.88Å; L345-D349 VanDerWaalsContact O-N 3.1Å; I346-D349 PolarHBondContact O-N 3.25Å; Q347-D349 VanDerWaalsContact C-N 3.33Å; Q347-D349 PolarHBondContact O-N 2.84Å; D349-I351 VanDerWaalsContact C-N 3.29Å; D349-I351 PolarHBondContact O-N 3.35Å; D349-A352 VanDerWaalsContact O-CB 3.24Å; D349-A352 WeakPolarHBondContact O-CB 3.37Å; D349-A352 PolarHBondContact O-N 2.77Å; D349-A352 VanDerWaalsContact O-N 3.09Å; D349-R381 WeakPolarHBondContact OD1-CG 3.33Å; D349-R381 IonicContact OD1-CZ 3.49Å; D349-R381 IonicContact OD1-NE 3.4Å; D349-R381 PolarHBondContact OD1-NE 2.99Å; D349-R381 IonicContact OD1-NH2 3.4Å; D349-R381 PolarHBondContact OD1-NH2 2.89Å; D349-R381 IonicContact OD2-CZ 2.99Å; D349-R381 IonicContact OD2-NE 3.47Å; D349-R381 PolarHBondContact OD2-NE 2.97Å; D349-R381 IonicContact OD2-NH2 2.72Å; D349-R381 PolarHBondContact OD2-NH2 3.48Å
350G79.1Confident74.4Confident35 Ų3546.3 Ų46.336%0.36133%0.325SS..Hα-helixtrans-62.8-27.8177.400000114.6I346 Q347 M348 A352 G353I346-G350 PolarHBondContact O-N 3.35Å; Q347-G350 WeakPolarHBondContact O-CA 3.44Å; Q347-G350 PolarHBondContact O-N 3.06Å; Q347-G350 VanDerWaalsContact O-N 3.1Å; M348-G350 VanDerWaalsContact C-N 3.31Å; G350-A352 PolarHBondContact O-N 3.43Å; G350-G353 PolarHBondContact O-N 2.97Å; G350-G353 VanDerWaalsContact O-N 3.08Å
351I74.5Confident74Confident9 Ų947.1 Ų47.15%0.04633%0.334CS..G310 helixtrans-60.3-28.4174.3-61.4176.2000110.7R254 F305 Q347 M348 D349 G353 V362 V364R254-I351 PolarHBondContact NH1-O 2.95Å; F305-I351 HydrophobicContact CD1-CD1 3.8Å; F305-I351 HydrophobicContact CD1-CG1 3.95Å; F305-I351 HydrophobicContact CE1-CD1 3.45Å; F305-I351 VanDerWaalsContact CE1-CD1 3.45Å; F305-I351 HydrophobicContact CE1-CG1 4.01Å; Q347-I351 PolarHBondContact O-N 3.38Å; M348-I351 PolarHBondContact O-N 3.43Å; D349-I351 VanDerWaalsContact C-N 3.29Å; D349-I351 PolarHBondContact O-N 3.35Å; I351-G353 PolarHBondContact O-N 3.26Å; I351-V362 HydrophobicContact CD1-CB 4.02Å; I351-V362 HydrophobicContact CD1-CG1 3.9Å; I351-V362 HydrophobicContact CG1-CB 4.35Å; I351-V362 HydrophobicContact CG2-CB 4.06Å; I351-V362 WeakPolarHBondContact CG2-O 3.39Å; I351-V364 HydrophobicContact CD1-CG2 3.56Å
352A58.8Low74Confident55 Ų5547.4 Ų47.446%0.45534%0.336SS..G310 helixtrans-66-21.7178.600000113.7D349 G350D349-A352 VanDerWaalsContact O-CB 3.24Å; D349-A352 WeakPolarHBondContact O-CB 3.37Å; D349-A352 PolarHBondContact O-N 2.77Å; D349-A352 VanDerWaalsContact O-N 3.09Å; G350-A352 PolarHBondContact O-N 3.43Å
353G51.3Low74Confident67 Ų6745.6 Ų45.669%0.69132%0.322SS*.G310 helixtrans-91.8-5-173.700000116G350 I351 G355G350-G353 PolarHBondContact O-N 2.97Å; G350-G353 VanDerWaalsContact O-N 3.08Å; I351-G353 PolarHBondContact O-N 3.26Å; G353-G355 PolarHBondContact O-N 2.94Å
354G51.4Low74.1Confident49 Ų4944.9 Ų44.951%0.50532%0.319SS..SBendtrans-64.6115.4177.600000110.9G356G354-G356 PolarHBondContact O-N 3.47Å
355G49.9Very low74.2Confident71 Ų7144.9 Ų44.973%0.73232%0.319SS*.  trans-52.3107.2-16200000115.2G353 D357G353-G355 PolarHBondContact O-N 2.94Å; G355-D357 PolarHBondContact O-N 3.12Å
356G55.8Low74.4Confident84 Ų8444 Ų4487%0.86632%0.315SS*.SBendtrans59.5-19.815400000119.4G354 P358G354-G356 PolarHBondContact O-N 3.47Å; G356-P358 VanDerWaalsContact O-CD 3.3Å; G356-P358 WeakPolarHBondContact O-CD 3.31Å
357D62.1Low74.6Confident71 Ų7139.1 Ų39.138%0.3829%0.289SS..  trans-96.9106.5-172.7-169.1-10.8000109.4G355 T359 K360G355-D357 PolarHBondContact O-N 3.12Å; D357-T359 PolarHBondContact O-N 2.95Å; D357-T359 WeakPolarHBondContact OD1-CB 3.37Å; D357-T359 WeakPolarHBondContact OD1-CG2 3.43Å; D357-T359 PolarHBondContact OD1-N 3.4Å; D357-T359 PolarHBondContact OD1-OG1 3.2Å; D357-T359 PolarHBondContact OD2-OG1 2.89Å; D357-K360 PolarHBondContact O-N 3.41Å
358P61.6Low74.8Confident26 Ų2638 Ų3817%0.16928%0.284CS..G310 helixtrans-64.7-17.1179.327.7-34.4000112.6P243 F246 G356P243-P358 HydrophobicContact CB-CG 3.79Å; F246-P358 HydrophobicContact CB-CB 4.39Å; G356-P358 VanDerWaalsContact O-CD 3.3Å; G356-P358 WeakPolarHBondContact O-CD 3.31Å
359T60.9Low75Confident43 Ų4338.4 Ų38.426%0.26429%0.287SS..G310 helixtrans-77.6-24.4-176.569.70000113.5P243 D357 G361P243-T359 HydrophobicContact CB-CG2 3.69Å; P243-T359 HydrophobicContact CG-CG2 4.18Å; D357-T359 PolarHBondContact O-N 2.95Å; D357-T359 WeakPolarHBondContact OD1-CB 3.37Å; D357-T359 WeakPolarHBondContact OD1-CG2 3.43Å; D357-T359 PolarHBondContact OD1-N 3.4Å; D357-T359 PolarHBondContact OD1-OG1 3.2Å; D357-T359 PolarHBondContact OD2-OG1 2.89Å; T359-G361 VanDerWaalsContact C-N 3.3Å; T359-G361 PolarHBondContact O-N 3.14Å
360K68Low75.4Confident149 Ų14939.4 Ų39.465%0.64829%0.287SS*.G310 helixtrans-98.434.1178-60.6-171.1-179.4-172.60112.1A312 D357A312-K360 HydrophobicContact CB-CB 4.23Å; D357-K360 PolarHBondContact O-N 3.41Å
361G79.1Confident76Confident22 Ų2237.8 Ų37.823%0.22727%0.271CS..  trans-74.7150.5179.800000112.9S314 T359S314-G361 PolarHBondContact N-O 3.37Å; T359-G361 VanDerWaalsContact C-N 3.3Å; T359-G361 PolarHBondContact O-N 3.14Å
362V88.1Confident76.8Confident8 Ų841.1 Ų41.15%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-104.3126.2161.9-179.30000107.5A308 R309 S314 I316 I351A308-V362 HydrophobicContact CB-CG1 4.1Å; A308-V362 HydrophobicContact CB-CG2 4.28Å; A308-V362 WeakPolarHBondContact O-CG2 3.42Å; R309-V362 HydrophobicContact CG-CG2 3.92Å; S314-V362 WeakPolarHBondContact O-CA 3.4Å; I316-V362 HydrophobicContact CD1-CG1 3.72Å; I316-V362 HydrophobicContact CG1-CG1 3.92Å; I351-V362 HydrophobicContact CD1-CB 4.02Å; I351-V362 HydrophobicContact CD1-CG1 3.9Å; I351-V362 HydrophobicContact CG1-CB 4.35Å; I351-V362 HydrophobicContact CG2-CB 4.06Å; I351-V362 WeakPolarHBondContact CG2-O 3.39Å
363L88.8Confident78.3Confident15 Ų1541.7 Ų41.78%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-99.1130.5173.2177.571.3000109.3V236 V256 S314 T315 I316 L365V236-L363 HydrophobicContact CB-CD2 4.49Å; V236-L363 HydrophobicContact CG1-CD2 4.44Å; V236-L363 HydrophobicContact CG2-CD2 3.28Å; V256-L363 HydrophobicContact CG2-CD1 4.24Å; S314-L363 PolarHBondContact O-N 2.9Å; T315-L363 CarbonylContact C-O 3.53Å; T315-L363 WeakPolarHBondContact CA-O 3.45Å; T315-L363 HydrophobicContact CG2-CD2 4.28Å; I316-L363 PolarHBondContact N-O 3.36Å; L363-L365 HydrophobicContact CD1-CD2 4.44Å; L363-L365 HydrophobicContact CD2-CD1 4.38Å; L363-L365 HydrophobicContact CD2-CD2 3.68Å; L363-L365 HydrophobicContact CD2-CG 3.9Å; L363-L365 HydrophobicContact CG-CD2 3.99Å; L363-L365 HydrophobicContact CG-CG 4.19Å
364V92.3Very high80.1Confident1 Ų138.9 Ų38.91%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-102.5111.6171-175.30000108.8R254 G255 V256 F305 I316 I318 M348 I351R254-V364 PolarHBondContact O-N 2.57Å; G255-V364 WeakPolarHBondContact CA-O 3.47Å; V256-V364 PolarHBondContact N-O 2.93Å; F305-V364 HydrophobicContact CE1-CG2 4.28Å; F305-V364 HydrophobicContact CZ-CG2 4.45Å; I316-V364 CarbonylContact O-C 3.3Å; I316-V364 WeakPolarHBondContact O-CA 3.34Å; I318-V364 HydrophobicContact CD1-CG1 4.11Å; M348-V364 HydrophobicContact CE-CB 4.38Å; M348-V364 HydrophobicContact CE-CG1 4.11Å; I351-V364 HydrophobicContact CD1-CG2 3.56Å
365L93.4Very high81.8Confident0 Ų037.5 Ų37.50%023%0.228CC..EExtended strand (participates in β ladder)trans-95.3127.8168.1-62.8-176.4000108.5L232 V256 A270 V273 T315 I316 F317 I318 L363L232-L365 HydrophobicContact CD2-CD2 4.18Å; V256-L365 HydrophobicContact CB-CD2 3.82Å; V256-L365 HydrophobicContact CG1-CD2 4.49Å; V256-L365 HydrophobicContact CG2-CD2 4.38Å; V256-L365 CarbonylContact O-C 3.56Å; V256-L365 WeakPolarHBondContact O-CA 3.21Å; A270-L365 HydrophobicContact CB-CD1 4.09Å; V273-L365 HydrophobicContact CB-CD1 4.26Å; V273-L365 HydrophobicContact CG1-CD1 4.22Å; V273-L365 HydrophobicContact CG2-CD1 4.4Å; T315-L365 HydrophobicContact CG2-CD1 3.63Å; T315-L365 HydrophobicContact CG2-CG 3.86Å; I316-L365 PolarHBondContact O-N 3.15Å; F317-L365 CarbonylContact C-O 3.57Å; F317-L365 VanDerWaalsContact CA-O 3.27Å; F317-L365 WeakPolarHBondContact CA-O 3.47Å; F317-L365 HydrophobicContact CD2-CB 3.88Å; I318-L365 PolarHBondContact N-O 3.49Å; L363-L365 HydrophobicContact CD1-CD2 4.44Å; L363-L365 HydrophobicContact CD2-CD1 4.38Å; L363-L365 HydrophobicContact CD2-CD2 3.68Å; L363-L365 HydrophobicContact CD2-CG 3.9Å; L363-L365 HydrophobicContact CG-CD2 3.99Å; L363-L365 HydrophobicContact CG-CG 4.19Å
366A94.4Very high83.6Confident0 Ų040.7 Ų40.70%022%0.224CC..EExtended strand (participates in β ladder)trans-119.1139.2174.400000109.9V256 C257 M258 I318 I321 L382V256-A366 PolarHBondContact O-N 3.42Å; C257-A366 CarbonylContact C-O 3.49Å; C257-A366 WeakPolarHBondContact CA-O 3.49Å; M258-A366 PolarHBondContact N-O 3.38Å; I318-A366 WeakPolarHBondContact O-CA 3.28Å; I321-A366 HydrophobicContact CB-CB 4.32Å; I321-A366 HydrophobicContact CD1-CB 3.69Å; I321-A366 HydrophobicContact CG2-CB 4.04Å; A366-L382 HydrophobicContact CB-CD1 4.06Å; A366-L382 HydrophobicContact CB-CD2 3.83Å
367A94.7Very high85.2Confident0 Ų038.2 Ų38.20%020%0.195CC..EExtended strand (participates in β ladder)trans-115.1140.517000000110.3M258 K266 F317 I318 D319 E320 I321M258-A367 HydrophobicContact CE-CB 4.41Å; M258-A367 WeakPolarHBondContact O-CA 3.42Å; K266-A367 HydrophobicContact CB-CB 3.99Å; K266-A367 HydrophobicContact CD-CB 4.12Å; F317-A367 HydrophobicContact CE2-CB 3.67Å; F317-A367 HydrophobicContact CZ-CB 3.69Å; I318-A367 PolarHBondContact O-N 2.99Å; D319-A367 WeakPolarHBondContact OD1-CB 3.48Å; E320-A367 WeakPolarHBondContact CA-O 3.32Å; E320-A367 PolarHBondContact N-O 3.43Å; E320-A367 VanDerWaalsContact N-O 3.11Å; I321-A367 PolarHBondContact N-O 3.17Å
368T93.9Very high86.5Confident1 Ų134.8 Ų34.81%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-144.5143.4172.7-179.10000111.2M258 V259 G260 D322 F370 P371 L374M258-T368 PolarHBondContact O-N 3.38Å; M258-T368 VanDerWaalsContact O-N 3.07Å; V259-T368 HydrophobicContact CB-CG2 4.36Å; V259-T368 HydrophobicContact CG1-CG2 3.79Å; G260-T368 PolarHBondContact N-O 3.37Å; D322-T368 WeakPolarHBondContact CB-OG1 3.31Å; D322-T368 VanDerWaalsContact CG-OG1 3.24Å; D322-T368 VanDerWaalsContact OD1-CB 3.28Å; D322-T368 WeakPolarHBondContact OD1-CB 3.47Å; D322-T368 PolarHBondContact OD1-OG1 3.35Å; T368-F370 PolarHBondContact OG1-N 3.43Å; T368-P371 HydrophobicContact CG2-CB 3.96Å; T368-L374 HydrophobicContact CG2-CD1 3.97Å
369N93.5Very high87.9Confident25 Ų2535.6 Ų35.613%0.13418%0.177CC..SBendtrans-90.3-20.7167.5-60.8-41.5000111.3G260 K266 P371 Y490G260-N369 PolarHBondContact O-OD1 3.28Å; K266-N369 VanDerWaalsContact CE-OD1 3.24Å; K266-N369 WeakPolarHBondContact CE-OD1 3.5Å; K266-N369 PolarHBondContact NZ-OD1 3.02Å; N369-P371 WeakPolarHBondContact O-CD 3.47Å; N369-Y490 VanDerWaalsContact O-CE1 3.27Å; N369-Y490 WeakPolarHBondContact O-CE1 3.46Å; N369-Y490 PolarHBondContact O-OH 3.04Å
370F91.3Very high89.3Confident96 Ų9642.7 Ų42.742%0.42120%0.199SC..  trans-124.669.1-172.3-57.1-72.4000111.3D322 T368 W372 D373D322-F370 HydrophobicContact CB-CB 4.41Å; D322-F370 WeakPolarHBondContact OD2-CD2 3.46Å; T368-F370 PolarHBondContact OG1-N 3.43Å; F370-W372 AromaticContact CD1-CE2 3.98Å; F370-W372 AromaticContact CD1-CZ2 3.62Å; F370-W372 HydrophobicContact CD1-CZ2 3.62Å; F370-W372 AromaticContact CD1-NE1 3.92Å; F370-W372 HydrophobicContact CE1-CZ2 4.36Å; F370-W372 PolarHBondContact O-N 3.31Å; F370-W372 VanDerWaalsContact O-N 3.15Å; F370-D373 HydrophobicContact CB-CB 4.4Å; F370-D373 PolarHBondContact O-N 3.42Å
371P92.5Very high90.3Very high1 Ų138.5 Ų38.51%0.00618%0.179CC..G310 helixtrans-67.2-19.7-172.330.2-38.5000113.9V259 T368 N369 D373 L374 Y490 W493V259-P371 HydrophobicContact CB-CB 4.08Å; V259-P371 HydrophobicContact CB-CG 4.23Å; V259-P371 HydrophobicContact CG1-CB 3.78Å; V259-P371 HydrophobicContact CG1-CG 4.47Å; T368-P371 HydrophobicContact CG2-CB 3.96Å; N369-P371 WeakPolarHBondContact O-CD 3.47Å; P371-D373 VanDerWaalsContact C-N 3.27Å; P371-D373 PolarHBondContact O-N 3.45Å; P371-L374 WeakPolarHBondContact O-CB 3.44Å; P371-L374 PolarHBondContact O-N 2.89Å; P371-Y490 HydrophobicContact CG-CD1 4.11Å; P371-Y490 HydrophobicContact CG-CE1 4.13Å; P371-W493 HydrophobicContact CB-CD2 3.81Å; P371-W493 HydrophobicContact CB-CE3 4.05Å; P371-W493 HydrophobicContact CB-CG 4.41Å; P371-W493 HydrophobicContact CB-CH2 3.94Å; P371-W493 HydrophobicContact CB-CZ2 3.69Å; P371-W493 HydrophobicContact CB-CZ3 4.12Å; P371-W493 HydrophobicContact CG-CD2 3.99Å; P371-W493 HydrophobicContact CG-CE3 4.25Å; P371-W493 HydrophobicContact CG-CG 4.21Å; P371-W493 PolarHBondContact O-NE1 2.81Å; P371-W493 VanDerWaalsContact O-NE1 3.11Å
372W91.7Very high90.8Very high80 Ų8037.5 Ų37.530%0.30317%0.168SC..G310 helixtrans-70.5-20.2173.444.878.2000113.8F370 L374 K489 Y490F370-W372 AromaticContact CD1-CE2 3.98Å; F370-W372 AromaticContact CD1-CZ2 3.62Å; F370-W372 HydrophobicContact CD1-CZ2 3.62Å; F370-W372 AromaticContact CD1-NE1 3.92Å; F370-W372 HydrophobicContact CE1-CZ2 4.36Å; F370-W372 PolarHBondContact O-N 3.31Å; F370-W372 VanDerWaalsContact O-N 3.15Å; W372-L374 VanDerWaalsContact C-N 3.33Å; W372-K489 HydrophobicContact CE3-CB 4.45Å; W372-K489 HydrophobicContact CH2-CB 4.15Å; W372-K489 HydrophobicContact CH2-CD 4.32Å; W372-K489 HydrophobicContact CZ3-CB 3.79Å; W372-Y490 HydrophobicContact CH2-CD1 4.45Å; W372-Y490 AromaticContact CH2-CE1 3.97Å; W372-Y490 HydrophobicContact CH2-CE1 3.97Å; W372-Y490 AromaticContact CH2-CZ 3.99Å; W372-Y490 AromaticContact CZ3-CD1 3.96Å; W372-Y490 HydrophobicContact CZ3-CD1 3.96Å; W372-Y490 AromaticContact CZ3-CE1 3.87Å; W372-Y490 HydrophobicContact CZ3-CE1 3.87Å; W372-Y490 HydrophobicContact CZ3-CG 4.48Å
373D90Very high90.9Very high67 Ų6739.8 Ų39.836%0.35818%0.178SC..G310 helixtrans-86.3-6.4176.9-67.5-30.8000112.5S326 R327 F370 P371 D375S326-D373 CarbonylContact C-O 3.58Å; S326-D373 VanDerWaalsContact C-O 3.3Å; S326-D373 VanDerWaalsContact CA-O 3.27Å; S326-D373 WeakPolarHBondContact CA-O 3.33Å; R327-D373 PolarHBondContact N-O 3.49Å; F370-D373 HydrophobicContact CB-CB 4.4Å; F370-D373 PolarHBondContact O-N 3.42Å; P371-D373 VanDerWaalsContact C-N 3.27Å; P371-D373 PolarHBondContact O-N 3.45Å; D373-D375 PolarHBondContact O-N 3.23Å
374L88.5Confident90.9Very high8 Ų840.2 Ų40.24%0.04218%0.18CC..BIsolated β-bridgetrans-70.5128.1179-63.7180000112.8I321 D322 T368 P371 W372 L378 R379I321-L374 HydrophobicContact CG2-CD2 3.71Å; D322-L374 HydrophobicContact CB-CD2 4.09Å; T368-L374 HydrophobicContact CG2-CD1 3.97Å; P371-L374 WeakPolarHBondContact O-CB 3.44Å; P371-L374 PolarHBondContact O-N 2.89Å; W372-L374 VanDerWaalsContact C-N 3.33Å; L374-L378 HydrophobicContact CD2-CD2 4.13Å; L374-R379 HydrophobicContact CB-CG 3.83Å; L374-R379 HydrophobicContact CD1-CG 4.47Å
375D86.9Confident90.9Very high19 Ų1942.3 Ų42.310%0.10219%0.187CC..  trans-60.8144.1172.8-166.812.5000112.5C325 R328 K341 D373 A377 L378 R379C325-D375 PolarHBondContact O-N 3.1Å; C325-D375 VanDerWaalsContact O-N 3.16Å; R328-D375 IonicContact NE-OD2 2.77Å; K341-D375 WeakPolarHBondContact CE-OD2 3.32Å; K341-D375 VanDerWaalsContact NZ-CB 3.25Å; K341-D375 VanDerWaalsContact NZ-CG 3.3Å; K341-D375 IonicContact NZ-OD2 3.6Å; K341-D375 PolarHBondContact NZ-OD2 2.99Å; D373-D375 PolarHBondContact O-N 3.23Å; D375-A377 VanDerWaalsContact C-N 3.26Å; D375-A377 PolarHBondContact O-N 2.93Å; D375-L378 PolarHBondContact O-N 2.92Å; D375-L378 VanDerWaalsContact O-N 3.12Å; D375-R379 WeakPolarHBondContact O-CG 3.48Å; D375-R379 PolarHBondContact O-N 3.43Å
376E89Confident90.8Very high139 Ų13943 Ų4365%0.6519%0.192SC*.Hα-helixtrans-58.2-38.9-179.3-175.4-178.2165.300112.4L378 R379 R380E376-L378 VanDerWaalsContact C-N 3.28Å; E376-L378 PolarHBondContact O-N 3.34Å; E376-R379 PolarHBondContact O-N 3.04Å; E376-R380 PolarHBondContact O-N 3.4Å
377A89.3Confident90.7Very high31 Ų3145.5 Ų45.526%0.25621%0.205SC..Hα-helixtrans-59.7-40.3178.700000112L345 D375 R381L345-A377 HydrophobicContact CD1-CB 3.77Å; L345-A377 HydrophobicContact CD2-CB 4.3Å; D375-A377 VanDerWaalsContact C-N 3.26Å; D375-A377 PolarHBondContact O-N 2.93Å; A377-R381 WeakPolarHBondContact O-CD 3.48Å; A377-R381 PolarHBondContact O-NH1 3.08Å
378L89.4Confident90.7Very high0 Ų045.5 Ų45.50%021%0.205CC..Hα-helixtrans-75.1-43.6178-176.368.6000111.1I321 C325 L345 M348 L374 D375 E376 R380 R381 L382I321-L378 HydrophobicContact CD1-CD1 4.1Å; I321-L378 HydrophobicContact CD1-CD2 3.54Å; I321-L378 HydrophobicContact CD1-CG 4.34Å; I321-L378 HydrophobicContact CG1-CD2 3.67Å; I321-L378 HydrophobicContact CG2-CD2 4.49Å; C325-L378 HydrophobicContact CB-CD2 3.39Å; C325-L378 HydrophobicContact CB-CG 4.49Å; L345-L378 HydrophobicContact CD2-CB 4.08Å; L345-L378 HydrophobicContact CD2-CD1 3.98Å; M348-L378 HydrophobicContact CE-CD1 4.24Å; M348-L378 HydrophobicContact SD-CD1 3.63Å; L374-L378 HydrophobicContact CD2-CD2 4.13Å; D375-L378 PolarHBondContact O-N 2.92Å; D375-L378 VanDerWaalsContact O-N 3.12Å; E376-L378 VanDerWaalsContact C-N 3.28Å; E376-L378 PolarHBondContact O-N 3.34Å; L378-R380 PolarHBondContact O-N 3.29Å; L378-R380 VanDerWaalsContact O-N 3.16Å; L378-R381 PolarHBondContact O-N 3.22Å; L378-L382 HydrophobicContact CD1-CD1 4.33Å; L378-L382 HydrophobicContact CD2-CD1 4.1Å; L378-L382 HydrophobicContact CG-CD1 3.81Å; L378-L382 HydrophobicContact CG-CG 4.36Å; L378-L382 PolarHBondContact O-N 3.26Å
379R90Very high90.6Very high42 Ų4246.8 Ų46.816%0.15822%0.218CC..Hα-helixtrans-52-40.7174.5-69.4-172.3-60.3133.73.7110.6L374 D375 E376 R381 L382 R385L374-R379 HydrophobicContact CB-CG 3.83Å; L374-R379 HydrophobicContact CD1-CG 4.47Å; D375-R379 WeakPolarHBondContact O-CG 3.48Å; D375-R379 PolarHBondContact O-N 3.43Å; E376-R379 PolarHBondContact O-N 3.04Å; R379-R381 VanDerWaalsContact C-N 3.32Å; R379-R381 PolarHBondContact O-N 3.41Å; R379-L382 CarbonylContact O-C 3.45Å; R379-L382 PolarHBondContact O-N 3.42Å; R379-R385 VanDerWaalsContact C-NH2 3.34Å; R379-R385 PolarHBondContact O-NH2 3.05Å
380R89.7Confident90.6Very high193 Ų19347.6 Ų47.673%0.72822%0.222SC*.Hα-helixtrans-60.9-32176.4-179.2173.1171.2168.1-0.9114.7E376 L378E376-R380 PolarHBondContact O-N 3.4Å; L378-R380 PolarHBondContact O-N 3.29Å; L378-R380 VanDerWaalsContact O-N 3.16Å
381R90.3Very high90.7Very high61 Ų6143.8 Ų43.823%0.2321%0.207CC..Hα-helixtrans-86.1-26.3178.4-7879.2-175.9153.92.3112.4M348 D349 A377 L378 R379 E383M348-R381 HydrophobicContact CB-CB 4.41Å; M348-R381 HydrophobicContact CB-CG 4.14Å; M348-R381 HydrophobicContact CE-CB 3.6Å; M348-R381 HydrophobicContact SD-CB 4.18Å; D349-R381 WeakPolarHBondContact OD1-CG 3.33Å; D349-R381 IonicContact OD1-CZ 3.49Å; D349-R381 IonicContact OD1-NE 3.4Å; D349-R381 PolarHBondContact OD1-NE 2.99Å; D349-R381 IonicContact OD1-NH2 3.4Å; D349-R381 PolarHBondContact OD1-NH2 2.89Å; D349-R381 IonicContact OD2-CZ 2.99Å; D349-R381 IonicContact OD2-NE 3.47Å; D349-R381 PolarHBondContact OD2-NE 2.97Å; D349-R381 IonicContact OD2-NH2 2.72Å; D349-R381 PolarHBondContact OD2-NH2 3.48Å; A377-R381 WeakPolarHBondContact O-CD 3.48Å; A377-R381 PolarHBondContact O-NH1 3.08Å; L378-R381 PolarHBondContact O-N 3.22Å; R379-R381 VanDerWaalsContact C-N 3.32Å; R379-R381 PolarHBondContact O-N 3.41Å; R381-E383 PolarHBondContact O-N 3.06Å; R381-E383 VanDerWaalsContact O-N 3.08Å
382L90.3Very high90.6Very high1 Ų148.2 Ų48.21%0.00523%0.231CC..  trans-82.674.7170.5-62.6172.1000108.8C257 I321 M348 A366 L378 R379 K384 R385C257-L382 HydrophobicContact CB-CB 3.95Å; C257-L382 HydrophobicContact CB-CD1 3.86Å; C257-L382 HydrophobicContact CB-CD2 4.3Å; C257-L382 HydrophobicContact CB-CG 4.24Å; I321-L382 HydrophobicContact CD1-CD1 4.48Å; M348-L382 HydrophobicContact CE-CD2 3.94Å; M348-L382 HydrophobicContact CE-CG 4.37Å; A366-L382 HydrophobicContact CB-CD1 4.06Å; A366-L382 HydrophobicContact CB-CD2 3.83Å; L378-L382 HydrophobicContact CD1-CD1 4.33Å; L378-L382 HydrophobicContact CD2-CD1 4.1Å; L378-L382 HydrophobicContact CG-CD1 3.81Å; L378-L382 HydrophobicContact CG-CG 4.36Å; L378-L382 PolarHBondContact O-N 3.26Å; R379-L382 CarbonylContact O-C 3.45Å; R379-L382 PolarHBondContact O-N 3.42Å; L382-K384 PolarHBondContact O-N 3.27Å; L382-R385 PolarHBondContact O-NE 3.41Å
383E88.4Confident90.7Very high56 Ų5646.7 Ų46.726%0.26223%0.232SC..  trans-58.4-44.3-172.4-65.9176.2149.900111.7R251 W253 G255 R381R251-E383 IonicContact CZ-OE1 3.99Å; R251-E383 IonicContact NH2-OE1 3.72Å; R251-E383 PolarHBondContact NH2-OE1 3.41Å; W253-E383 HydrophobicContact CE3-CB 3.56Å; W253-E383 HydrophobicContact CE3-CG 4.39Å; W253-E383 HydrophobicContact CZ3-CB 3.9Å; G255-E383 PolarHBondContact O-N 3.23Å; R381-E383 PolarHBondContact O-N 3.06Å; R381-E383 VanDerWaalsContact O-N 3.08Å
384K89.8Confident90.8Very high24 Ų2449.4 Ų49.410%0.10425%0.247CC..EExtended strand (participates in β ladder)trans-103.3127178-163.976.1-178-176.90110L231 W253 G255 V256 C257 L382 V386 A499 S500L231-K384 HydrophobicContact CD1-CD 4.4Å; L231-K384 HydrophobicContact CD1-CG 4.35Å; L231-K384 HydrophobicContact CD2-CG 4.04Å; W253-K384 HydrophobicContact CG-CB 4.49Å; G255-K384 PolarHBondContact O-N 2.99Å; V256-K384 CarbonylContact C-O 3.55Å; V256-K384 WeakPolarHBondContact CA-O 3.49Å; V256-K384 HydrophobicContact CG1-CB 4.41Å; V256-K384 HydrophobicContact CG2-CB 4.27Å; C257-K384 PolarHBondContact N-O 3.48Å; L382-K384 PolarHBondContact O-N 3.27Å; K384-V386 HydrophobicContact CG-CG2 4.17Å; K384-A499 HydrophobicContact CD-CB 3.75Å; K384-A499 HydrophobicContact CG-CB 4.46Å; K384-S500 PolarHBondContact NZ-O 2.91Å
385R91.9Very high91Very high44 Ų4449.3 Ų49.317%0.16625%0.247CC..EExtended strand (participates in β ladder)trans-122126.3174.9-53.6121.9-167.8-172.96.4109.4C257 R379 L382 W493 F497C257-R385 HydrophobicContact CB-CG 4.11Å; C257-R385 CarbonylContact O-C 3.6Å; C257-R385 VanDerWaalsContact O-CA 3.31Å; C257-R385 WeakPolarHBondContact O-CA 3.17Å; R379-R385 VanDerWaalsContact C-NH2 3.34Å; R379-R385 PolarHBondContact O-NH2 3.05Å; L382-R385 PolarHBondContact O-NE 3.41Å; R385-W493 HydrophobicContact CB-CH2 4.3Å; R385-W493 HydrophobicContact CB-CZ3 4.29Å; R385-W493 HydrophobicContact CG-CH2 4.19Å; R385-F497 WeakPolarHBondContact CD-O 3.49Å; R385-F497 PolarHBondContact NH1-O 3.01Å
386V91.9Very high91.4Very high15 Ų1549.1 Ų49.19%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-124.3128.6-173.6-170.30000109.7V228 L231 V256 C257 M258 V259 K384V228-V386 HydrophobicContact CB-CG1 4.19Å; V228-V386 HydrophobicContact CG1-CG1 3.8Å; V228-V386 HydrophobicContact CG2-CG1 3.68Å; L231-V386 HydrophobicContact CD1-CG2 3.6Å; L231-V386 HydrophobicContact CD2-CG2 3.68Å; L231-V386 HydrophobicContact CG-CG2 4.31Å; V256-V386 HydrophobicContact CG1-CG2 4.45Å; C257-V386 PolarHBondContact O-N 3.33Å; M258-V386 WeakPolarHBondContact CA-O 3.46Å; V259-V386 WeakPolarHBondContact CG2-O 3.48Å; V259-V386 PolarHBondContact N-O 3.37Å; K384-V386 HydrophobicContact CG-CG2 4.17Å
387L92.8Very high91.7Very high53 Ų5346.9 Ų46.928%0.27723%0.23SC..EExtended strand (participates in β ladder)trans-81.8122.8175.2-179.665.1000110.2V259 Y490 M494V259-L387 HydrophobicContact CG2-CB 4.25Å; V259-L387 HydrophobicContact CG2-CD1 4.03Å; V259-L387 CarbonylContact O-C 3.51Å; V259-L387 WeakPolarHBondContact O-CA 3.41Å; L387-Y490 HydrophobicContact CD1-CD1 4.44Å; L387-Y490 HydrophobicContact CD1-CG 4.36Å; L387-M494 HydrophobicContact CB-CE 3.83Å; L387-M494 HydrophobicContact CB-CG 3.81Å; L387-M494 HydrophobicContact CB-SD 3.91Å; L387-M494 HydrophobicContact CD1-CG 4.27Å; L387-M494 HydrophobicContact CD2-CG 4.03Å; L387-M494 HydrophobicContact CG-CG 4.24Å
388I93.4Very high91.9Very high0 Ų051 Ų510%024%0.239CC..  trans-99.692.7168.3-50.1-157.9000107.4L225 V228 M258 V259 P261 K266 L269L225-I388 HydrophobicContact CD1-CG2 3.85Å; L225-I388 HydrophobicContact CD2-CG2 3.79Å; L225-I388 HydrophobicContact CG-CG2 4.5Å; V228-I388 HydrophobicContact CG1-CD1 4.34Å; M258-I388 HydrophobicContact CB-CD1 3.97Å; M258-I388 HydrophobicContact CB-CG1 4.29Å; M258-I388 HydrophobicContact CG-CD1 4.03Å; M258-I388 HydrophobicContact SD-CD1 3.94Å; V259-I388 PolarHBondContact O-N 3.07Å; P261-I388 WeakPolarHBondContact CD-O 3.37Å; K266-I388 HydrophobicContact CB-CD1 4.48Å; K266-I388 HydrophobicContact CG-CB 4.37Å; K266-I388 HydrophobicContact CG-CD1 3.86Å; K266-I388 HydrophobicContact CG-CG1 4.31Å; L269-I388 HydrophobicContact CD2-CD1 3.61Å
389G91.4Very high92.1Very high28 Ų2852.4 Ų52.429%0.28925%0.246SC..  trans-72.2-178.3178.800000113.7T264T264-G389 WeakPolarHBondContact CG2-O 3.46Å
390L93.3Very high92.3Very high42 Ų4250.5 Ų50.522%0.2224%0.239CC..  trans-66.6151.6169.7-66.9177.6000110.6P261 T264 V482 L487P261-L390 HydrophobicContact CG-CD2 4.16Å; P261-L390 HydrophobicContact CG-CG 4.43Å; T264-L390 HydrophobicContact CG2-CD2 4.3Å; L390-V482 HydrophobicContact CD2-CG2 4.2Å; L390-L487 HydrophobicContact CD1-CD1 3.75Å; L390-L487 HydrophobicContact CD1-CD2 3.87Å; L390-L487 HydrophobicContact CD1-CG 4.36Å; L390-L487 HydrophobicContact CG-CD2 4.04Å
391P93.6Very high92.5Very high15 Ų1543.9 Ų43.910%0.09722%0.216CC..  trans-65.4138.2-179.527.7-35.7000112.1C395 R396 M399 Y425P391-C395 HydrophobicContact CB-CB 3.87Å; P391-R396 HydrophobicContact CB-CG 3.82Å; P391-R396 HydrophobicContact CG-CG 3.66Å; P391-R396 PolarHBondContact O-NH1 3.37Å; P391-M399 HydrophobicContact CB-CE 3.93Å; P391-M399 HydrophobicContact CB-SD 4.05Å; P391-M399 HydrophobicContact CG-CE 4.31Å; P391-M399 HydrophobicContact CG-SD 4.12Å; P391-Y425 WeakPolarHBondContact CD-O 3.3Å; P391-Y425 WeakPolarHBondContact CG-O 3.48Å
392D91.9Very high92.6Very high95 Ų9542.7 Ų42.751%0.50821%0.214SC..  trans-69.9176.6168.562.425.7000111.6D394 C395 R396D392-D394 PolarHBondContact O-N 3.13Å; D392-D394 PolarHBondContact OD1-N 3.44Å; D392-C395 PolarHBondContact O-N 3.39Å; D392-C395 WeakPolarHBondContact OD1-CA 3.44Å; D392-C395 WeakPolarHBondContact OD1-CB 3.25Å; D392-C395 PolarHBondContact OD1-N 3.11Å; D392-R396 WeakPolarHBondContact O-CG 3.37Å; D392-R396 PolarHBondContact O-N 3.45Å; D392-R396 PolarHBondContact O-NH1 3.04Å
393S92.2Very high92.7Very high47 Ų4745.8 Ų45.833%0.32923%0.231SC..Hα-helixtrans-60.9-46-176.5-148.20000112.4C395 R396 R397S393-C395 VanDerWaalsContact C-N 3.32Å; S393-C395 PolarHBondContact O-N 3.5Å; S393-R396 PolarHBondContact O-N 3.15Å; S393-R396 PolarHBondContact OG-NH2 2.9Å; S393-R397 PolarHBondContact O-N 3.09Å
394D92.6Very high92.9Very high125 Ų12543.4 Ų43.467%0.66822%0.22SC*.Hα-helixtrans-64.4-39.2-179.7-62-19.6000111.4D392 R397 R398D392-D394 PolarHBondContact O-N 3.13Å; D392-D394 PolarHBondContact OD1-N 3.44Å; D394-R397 PolarHBondContact O-N 3.47Å; D394-R398 WeakPolarHBondContact O-CB 3.41Å; D394-R398 PolarHBondContact O-N 3.46Å
395C93.6Very high92.9Very high6 Ų648.5 Ų48.54%0.04124%0.244CC..Hα-helixtrans-65.4-43.3175.5-173.80000111A223 P391 D392 S393 R398 M399A223-C395 PolarHBondContact O-SG 3.49Å; A223-C395 VanDerWaalsContact O-SG 3.41Å; P391-C395 HydrophobicContact CB-CB 3.87Å; D392-C395 PolarHBondContact O-N 3.39Å; D392-C395 WeakPolarHBondContact OD1-CA 3.44Å; D392-C395 WeakPolarHBondContact OD1-CB 3.25Å; D392-C395 PolarHBondContact OD1-N 3.11Å; S393-C395 VanDerWaalsContact C-N 3.32Å; S393-C395 PolarHBondContact O-N 3.5Å; C395-R398 PolarHBondContact O-N 2.93Å; C395-M399 WeakPolarHBondContact O-CB 3.29Å; C395-M399 VanDerWaalsContact O-CG 3.25Å; C395-M399 WeakPolarHBondContact O-CG 3.48Å; C395-M399 PolarHBondContact O-N 2.94Å
396R94.7Very high92.7Very high14 Ų1453 Ų535%0.05327%0.271CS..Hα-helixtrans-62.2-45.2175.6-72-169.9-53-871.5111.8P391 D392 S393 R398 M399 L400 S419 L422P391-R396 HydrophobicContact CB-CG 3.82Å; P391-R396 HydrophobicContact CG-CG 3.66Å; P391-R396 PolarHBondContact O-NH1 3.37Å; D392-R396 WeakPolarHBondContact O-CG 3.37Å; D392-R396 PolarHBondContact O-N 3.45Å; D392-R396 PolarHBondContact O-NH1 3.04Å; S393-R396 PolarHBondContact O-N 3.15Å; S393-R396 PolarHBondContact OG-NH2 2.9Å; R396-R398 VanDerWaalsContact C-N 3.33Å; R396-R398 PolarHBondContact O-N 2.91Å; R396-M399 WeakPolarHBondContact O-CB 3.46Å; R396-M399 PolarHBondContact O-N 3.44Å; R396-L400 WeakPolarHBondContact O-CG 3.15Å; R396-L400 PolarHBondContact O-N 3.39Å; R396-S419 PolarHBondContact NE-O 2.91Å; R396-S419 PolarHBondContact NH2-O 3.44Å; R396-L422 WeakPolarHBondContact CD-O 3.41Å; R396-L422 PolarHBondContact NE-O 3.25Å
397R94.8Very high92.6Very high92 Ų9255.5 Ų55.535%0.34728%0.284SS..Hα-helixtrans-55.6-49.6173.1179.9-157.8168.6137.7-2111S393 D394 M399 L400 E401 F415 D416S393-R397 PolarHBondContact O-N 3.09Å; D394-R397 PolarHBondContact O-N 3.47Å; R397-M399 VanDerWaalsContact C-N 3.3Å; R397-M399 PolarHBondContact O-N 2.99Å; R397-L400 WeakPolarHBondContact O-CB 3.34Å; R397-L400 PolarHBondContact O-N 3.41Å; R397-L400 VanDerWaalsContact O-N 3.11Å; R397-E401 IonicContact CZ-OE1 2.81Å; R397-E401 IonicContact NE-OE1 3.79Å; R397-E401 PolarHBondContact NE-OE1 2.81Å; R397-E401 IonicContact NH2-OE1 2.91Å; R397-E401 PolarHBondContact O-N 3.25Å; R397-F415 HydrophobicContact CG-CB 4.12Å; R397-D416 VanDerWaalsContact CD-OD1 3.31Å; R397-D416 WeakPolarHBondContact CD-OD1 3.29Å; R397-D416 IonicContact CZ-OD1 3.76Å; R397-D416 IonicContact CZ-OD2 3.35Å; R397-D416 IonicContact NE-OD1 3.69Å; R397-D416 VanDerWaalsContact NH1-CG 3.26Å; R397-D416 IonicContact NH1-OD1 3.44Å; R397-D416 PolarHBondContact NH1-OD1 3.23Å; R397-D416 IonicContact NH1-OD2 2.85Å; R397-D416 PolarHBondContact NH1-OD2 3.08Å
398R93.6Very high92.5Very high117 Ų11758.1 Ų58.144%0.44229%0.293SS..Hα-helixtrans-64.4-34.7179.2-173.458.3-177.5156.47.2112.8A223 D394 C395 R396 E401 I402A223-R398 HydrophobicContact CB-CB 4.06Å; A223-R398 HydrophobicContact CB-CG 4.01Å; D394-R398 WeakPolarHBondContact O-CB 3.41Å; D394-R398 PolarHBondContact O-N 3.46Å; C395-R398 PolarHBondContact O-N 2.93Å; R396-R398 VanDerWaalsContact C-N 3.33Å; R396-R398 PolarHBondContact O-N 2.91Å; R398-E401 WeakPolarHBondContact CD-OE2 3.35Å; R398-E401 IonicContact CZ-OE2 3.82Å; R398-E401 IonicContact NE-OE2 3.58Å; R398-E401 IonicContact NH1-OE2 2.69Å; R398-E401 PolarHBondContact NH1-OE2 3.32Å; R398-E401 PolarHBondContact O-N 3.4Å; R398-I402 HydrophobicContact CG-CD1 4.06Å; R398-I402 VanDerWaalsContact O-CG1 3.29Å; R398-I402 WeakPolarHBondContact O-CG1 3.44Å; R398-I402 PolarHBondContact O-N 3.17Å
399M94.1Very high92.3Very high31 Ų3160.3 Ų60.315%0.15331%0.306CS..Hα-helixtrans-62.3-42.5172.6-74175.6174.500111.3A223 P391 C395 R396 R397 I402 N403 V430A223-M399 HydrophobicContact CB-CE 4.3Å; A223-M399 HydrophobicContact CB-CG 3.59Å; P391-M399 HydrophobicContact CB-CE 3.93Å; P391-M399 HydrophobicContact CB-SD 4.05Å; P391-M399 HydrophobicContact CG-CE 4.31Å; P391-M399 HydrophobicContact CG-SD 4.12Å; C395-M399 WeakPolarHBondContact O-CB 3.29Å; C395-M399 VanDerWaalsContact O-CG 3.25Å; C395-M399 WeakPolarHBondContact O-CG 3.48Å; C395-M399 PolarHBondContact O-N 2.94Å; R396-M399 WeakPolarHBondContact O-CB 3.46Å; R396-M399 PolarHBondContact O-N 3.44Å; R397-M399 VanDerWaalsContact C-N 3.3Å; R397-M399 PolarHBondContact O-N 2.99Å; M399-I402 PolarHBondContact O-N 3.46Å; M399-N403 WeakPolarHBondContact O-CB 3.39Å; M399-N403 PolarHBondContact O-N 2.83Å; M399-N403 PolarHBondContact O-ND2 2.87Å; M399-V430 HydrophobicContact CB-CG1 4.09Å
400L94.5Very high92.3Very high1 Ų160 Ų601%0.00530%0.3CS..Hα-helixtrans-60.5-47.6175.5-65.2169.3000110.9R396 R397 I402 N403 L404 F415 I418 L422 V430 C434 F471R396-L400 WeakPolarHBondContact O-CG 3.15Å; R396-L400 PolarHBondContact O-N 3.39Å; R397-L400 WeakPolarHBondContact O-CB 3.34Å; R397-L400 PolarHBondContact O-N 3.41Å; R397-L400 VanDerWaalsContact O-N 3.11Å; L400-I402 VanDerWaalsContact C-N 3.32Å; L400-I402 PolarHBondContact O-N 3.3Å; L400-N403 PolarHBondContact O-N 2.69Å; L400-L404 WeakPolarHBondContact O-CB 3.42Å; L400-L404 WeakPolarHBondContact O-CG 3.42Å; L400-L404 PolarHBondContact O-N 3.39Å; L400-F415 HydrophobicContact CB-CD1 3.63Å; L400-F415 HydrophobicContact CB-CE1 3.99Å; L400-F415 HydrophobicContact CD1-CD1 4.19Å; L400-I418 HydrophobicContact CD1-CB 3.95Å; L400-I418 HydrophobicContact CD1-CG2 3.72Å; L400-I418 HydrophobicContact CD2-CG2 4.17Å; L400-L422 HydrophobicContact CD1-CD1 4.37Å; L400-L422 HydrophobicContact CD2-CD1 3.87Å; L400-L422 HydrophobicContact CG-CD1 4.45Å; L400-V430 HydrophobicContact CD2-CG1 3.97Å; L400-V430 HydrophobicContact CG-CG1 4.45Å; L400-C434 VanDerWaalsContact CD2-SG 3.56Å; L400-F471 HydrophobicContact CD2-CE1 4.08Å
401E93.1Very high92.2Very high54 Ų5466.5 Ų66.525%0.25234%0.336SS..Hα-helixtrans-56.9-43.7177.2-68.3171.5-173.700112.1R397 R398 Q405R397-E401 IonicContact CZ-OE1 2.81Å; R397-E401 IonicContact NE-OE1 3.79Å; R397-E401 PolarHBondContact NE-OE1 2.81Å; R397-E401 IonicContact NH2-OE1 2.91Å; R397-E401 PolarHBondContact O-N 3.25Å; R398-E401 WeakPolarHBondContact CD-OE2 3.35Å; R398-E401 IonicContact CZ-OE2 3.82Å; R398-E401 IonicContact NE-OE2 3.58Å; R398-E401 IonicContact NH1-OE2 2.69Å; R398-E401 PolarHBondContact NH1-OE2 3.32Å; R398-E401 PolarHBondContact O-N 3.4Å; E401-Q405 WeakPolarHBondContact O-CB 3.49Å; E401-Q405 PolarHBondContact O-N 3.39Å; E401-Q405 VanDerWaalsContact O-N 3.12Å
402I92.4Very high92.1Very high37 Ų3769.5 Ų69.519%0.1935%0.351CS..Hα-helixtrans-68.5-42.8179-67.7166.2000111.4A223 R398 M399 L400 L404 Q405A223-I402 HydrophobicContact CB-CD1 4.36Å; R398-I402 HydrophobicContact CG-CD1 4.06Å; R398-I402 VanDerWaalsContact O-CG1 3.29Å; R398-I402 WeakPolarHBondContact O-CG1 3.44Å; R398-I402 PolarHBondContact O-N 3.17Å; M399-I402 PolarHBondContact O-N 3.46Å; L400-I402 VanDerWaalsContact C-N 3.32Å; L400-I402 PolarHBondContact O-N 3.3Å; I402-L404 VanDerWaalsContact C-N 3.31Å; I402-L404 PolarHBondContact O-N 3.2Å; I402-Q405 WeakPolarHBondContact O-CG 3.46Å
403N92.3Very high92.1Very high66 Ų6665.7 Ų65.735%0.35333%0.33SS..Hα-helixtrans-72-25.5-178-79-85.7000112.9M399 L400 C434M399-N403 WeakPolarHBondContact O-CB 3.39Å; M399-N403 PolarHBondContact O-N 2.83Å; M399-N403 PolarHBondContact O-ND2 2.87Å; L400-N403 PolarHBondContact O-N 2.69Å; N403-C434 HydrophobicContact CB-CB 3.95Å
404L92.4Very high92.1Very high5 Ų567.2 Ų67.23%0.02634%0.335CS..Hα-helixtrans-102.72.2-179.1-59-175.2000113.9L400 I402 D406 L407 V409 L413 F415 C434 I466 F471L400-L404 WeakPolarHBondContact O-CB 3.42Å; L400-L404 WeakPolarHBondContact O-CG 3.42Å; L400-L404 PolarHBondContact O-N 3.39Å; I402-L404 VanDerWaalsContact C-N 3.31Å; I402-L404 PolarHBondContact O-N 3.2Å; L404-D406 PolarHBondContact O-N 3.21Å; L404-D406 VanDerWaalsContact O-N 3.1Å; L404-L407 HydrophobicContact CD2-CD1 3.91Å; L404-L407 PolarHBondContact O-N 2.87Å; L404-V409 HydrophobicContact CB-CG2 4.04Å; L404-V409 HydrophobicContact CD1-CG2 4.04Å; L404-L413 HydrophobicContact CD1-CD2 3.87Å; L404-F415 HydrophobicContact CD1-CE1 3.68Å; L404-F415 HydrophobicContact CD1-CZ 4.22Å; L404-C434 HydrophobicContact CD2-CB 4.09Å; L404-I466 HydrophobicContact CD2-CD1 4.02Å; L404-F471 HydrophobicContact CD1-CE2 3.88Å; L404-F471 HydrophobicContact CD1-CZ 3.52Å; L404-F471 HydrophobicContact CD2-CZ 4.11Å; L404-F471 HydrophobicContact CG-CZ 4.31Å
405Q90.2Very high92.1Very high132 Ų13263.7 Ų63.762%0.61731%0.314SS*.THydrogen-bonded Turntrans-57.8-29.1-174.173.3-174.94.800114.1E401 I402E401-Q405 WeakPolarHBondContact O-CB 3.49Å; E401-Q405 PolarHBondContact O-N 3.39Å; E401-Q405 VanDerWaalsContact O-N 3.12Å; I402-Q405 WeakPolarHBondContact O-CG 3.46Å
406D88.4Confident92.1Very high139 Ų13966.7 Ų66.774%0.74333%0.329SS*.THydrogen-bonded Turntrans-1016-176.6-60-50.8000112.3L404L404-D406 PolarHBondContact O-N 3.21Å; L404-D406 VanDerWaalsContact O-N 3.1Å
407L89.9Confident92.1Very high67 Ų6769.2 Ų69.235%0.35134%0.342SS..SBendtrans-117.7151.6-174.2-60.7175000111.4L404 V409 I466L404-L407 HydrophobicContact CD2-CD1 3.91Å; L404-L407 PolarHBondContact O-N 2.87Å; L407-V409 PolarHBondContact O-N 3.36Å; L407-I466 HydrophobicContact CB-CD1 4.03Å; L407-I466 HydrophobicContact CD1-CD1 3.81Å
408K89.4Confident92Very high107 Ų10764.9 Ų64.947%0.46533%0.325SS..  trans-74.7123.8172.4-67.7169.5-177.8153.50109.4D463 P465 I466K408-D463 VanDerWaalsContact CE-OD2 3.3Å; K408-D463 WeakPolarHBondContact CE-OD2 3.5Å; K408-D463 IonicContact NZ-OD2 3.36Å; K408-D463 PolarHBondContact NZ-OD2 3.19Å; K408-P465 HydrophobicContact CB-CB 4.16Å; K408-P465 WeakPolarHBondContact O-CA 3.29Å; K408-I466 PolarHBondContact O-N 3.44Å
409V90.5Very high92.1Very high47 Ų4759.4 Ų59.429%0.28531%0.305SS..BIsolated β-bridgetrans-113.4135.9178.9176.50000108.7L404 L407 L413 F415L404-V409 HydrophobicContact CB-CG2 4.04Å; L404-V409 HydrophobicContact CD1-CG2 4.04Å; L407-V409 PolarHBondContact O-N 3.36Å; V409-L413 HydrophobicContact CG1-CB 3.77Å; V409-L413 HydrophobicContact CG1-CD2 3.45Å; V409-L413 VanDerWaalsContact CG1-CD2 3.45Å; V409-L413 HydrophobicContact CG1-CG 4.19Å; V409-F415 HydrophobicContact CG1-CZ 4.39Å
410A91.5Very high92.1Very high20 Ų2061.4 Ų61.417%0.16532%0.322CS..  trans-78.7151.3175.700000111.4D412 L413 P465 I466 T467A410-D412 WeakPolarHBondContact CB-OD1 3.37Å; A410-D412 PolarHBondContact O-N 2.83Å; A410-D412 VanDerWaalsContact O-N 3.1Å; A410-L413 WeakPolarHBondContact O-CB 3.46Å; A410-L413 PolarHBondContact O-N 3.36Å; A410-L413 VanDerWaalsContact O-N 3.11Å; A410-P465 HydrophobicContact CB-CB 4.14Å; A410-I466 WeakPolarHBondContact CB-O 3.07Å; A410-I466 PolarHBondContact N-O 2.82Å; A410-T467 HydrophobicContact CB-CG2 4.19Å
411D90.4Very high92Very high179 Ų17965.2 Ų65.296%0.95734%0.342SS*.THydrogen-bonded Turntrans-63.9-15.7-178.8-62.2-33.9000113.6L413D411-L413 VanDerWaalsContact C-N 3.27Å
412D92Very high92.1Very high79 Ų7962.6 Ų62.642%0.42233%0.33SS..THydrogen-bonded Turntrans-79.2-8177.476.5-36.8000113.5A410 D414 R468A410-D412 WeakPolarHBondContact CB-OD1 3.37Å; A410-D412 PolarHBondContact O-N 2.83Å; A410-D412 VanDerWaalsContact O-N 3.1Å; D412-D414 PolarHBondContact O-N 3.39Å; D412-R468 PolarHBondContact OD1-N 3.37Å; D412-R468 WeakPolarHBondContact OD2-CB 3.44Å; D412-R468 PolarHBondContact OD2-N 2.79Å; D412-R468 VanDerWaalsContact OD2-N 3.13Å
413L90.7Very high92.1Very high14 Ų1466.5 Ų66.57%0.07335%0.347CS..  trans-87.1103.5-178.7-17071.4000111.8L404 V409 A410 D411 F415 I418 R468 F471L404-L413 HydrophobicContact CD1-CD2 3.87Å; V409-L413 HydrophobicContact CG1-CB 3.77Å; V409-L413 HydrophobicContact CG1-CD2 3.45Å; V409-L413 VanDerWaalsContact CG1-CD2 3.45Å; V409-L413 HydrophobicContact CG1-CG 4.19Å; A410-L413 WeakPolarHBondContact O-CB 3.46Å; A410-L413 PolarHBondContact O-N 3.36Å; A410-L413 VanDerWaalsContact O-N 3.11Å; D411-L413 VanDerWaalsContact C-N 3.27Å; L413-F415 HydrophobicContact CD2-CE1 4.3Å; L413-F415 HydrophobicContact CD2-CZ 4.47Å; L413-I418 HydrophobicContact CD1-CD1 4.31Å; L413-I418 HydrophobicContact CD1-CG1 3.83Å; L413-R468 HydrophobicContact CD1-CB 4.47Å; L413-F471 HydrophobicContact CD1-CB 4.36Å; L413-F471 HydrophobicContact CD1-CD2 3.37Å; L413-F471 HydrophobicContact CD1-CE2 3.87Å; L413-F471 HydrophobicContact CD1-CG 4.01Å; L413-F471 HydrophobicContact CD2-CD2 3.92Å; L413-F471 HydrophobicContact CD2-CE2 3.49Å; L413-F471 VanDerWaalsContact CD2-CE2 3.49Å; L413-F471 HydrophobicContact CD2-CZ 4.28Å; L413-F471 HydrophobicContact CG-CD2 4.32Å; L413-F471 HydrophobicContact CG-CE2 4.36Å
414D92.7Very high92.1Very high79 Ų7964.1 Ų64.142%0.42234%0.338SS..  trans-88.2111.1170.7-175.80.1000111.6D412 D416 E417 I418D412-D414 PolarHBondContact O-N 3.39Å; D414-D416 VanDerWaalsContact C-N 3.27Å; D414-D416 PolarHBondContact O-N 2.97Å; D414-D416 PolarHBondContact OD1-N 3.48Å; D414-E417 HydrophobicContact CB-CB 3.93Å; D414-E417 PolarHBondContact O-N 3.1Å; D414-I418 WeakPolarHBondContact O-CG1 3.3Å; D414-I418 PolarHBondContact O-N 2.91Å
415F93Very high92.2Very high52 Ų5264.6 Ų64.623%0.22834%0.34CS..Hα-helixtrans-60.8-33.5177.2-69.3-73.5000113.4R397 L400 L404 V409 L413 S419R397-F415 HydrophobicContact CG-CB 4.12Å; L400-F415 HydrophobicContact CB-CD1 3.63Å; L400-F415 HydrophobicContact CB-CE1 3.99Å; L400-F415 HydrophobicContact CD1-CD1 4.19Å; L404-F415 HydrophobicContact CD1-CE1 3.68Å; L404-F415 HydrophobicContact CD1-CZ 4.22Å; V409-F415 HydrophobicContact CG1-CZ 4.39Å; L413-F415 HydrophobicContact CD2-CE1 4.3Å; L413-F415 HydrophobicContact CD2-CZ 4.47Å; F415-S419 WeakPolarHBondContact O-CB 3.5Å; F415-S419 PolarHBondContact O-N 3.42Å; F415-S419 PolarHBondContact O-OG 3.43Å
416D94Very high92.4Very high69 Ų6958.3 Ų58.337%0.36931%0.311SS..Hα-helixtrans-71.5-40-179.6-72-47.5000110.4R397 D414 S419 S420R397-D416 VanDerWaalsContact CD-OD1 3.31Å; R397-D416 WeakPolarHBondContact CD-OD1 3.29Å; R397-D416 IonicContact CZ-OD1 3.76Å; R397-D416 IonicContact CZ-OD2 3.35Å; R397-D416 IonicContact NE-OD1 3.69Å; R397-D416 VanDerWaalsContact NH1-CG 3.26Å; R397-D416 IonicContact NH1-OD1 3.44Å; R397-D416 PolarHBondContact NH1-OD1 3.23Å; R397-D416 IonicContact NH1-OD2 2.85Å; R397-D416 PolarHBondContact NH1-OD2 3.08Å; D414-D416 VanDerWaalsContact C-N 3.27Å; D414-D416 PolarHBondContact O-N 2.97Å; D414-D416 PolarHBondContact OD1-N 3.48Å; D416-S419 PolarHBondContact O-N 3.48Å; D416-S419 PolarHBondContact O-OG 3.11Å; D416-S420 PolarHBondContact O-N 3.02Å; D416-S420 PolarHBondContact O-OG 3.03Å
417E93.8Very high92.6Very high66 Ų6652.5 Ų52.531%0.30828%0.284SS..Hα-helixtrans-61.1-52.6172.5-170.5-172.4-178.700111.5D414 S419 S420 L421 R468D414-E417 HydrophobicContact CB-CB 3.93Å; D414-E417 PolarHBondContact O-N 3.1Å; E417-S419 VanDerWaalsContact C-N 3.32Å; E417-S419 PolarHBondContact O-N 3.46Å; E417-S420 WeakPolarHBondContact O-CB 3.23Å; E417-S420 PolarHBondContact O-N 3.45Å; E417-S420 VanDerWaalsContact O-N 3.09Å; E417-L421 PolarHBondContact O-N 2.69Å; E417-L421 VanDerWaalsContact O-N 3.17Å; E417-R468 IonicContact OE1-CZ 3.17Å; E417-R468 IonicContact OE1-NE 2.77Å; E417-R468 PolarHBondContact OE1-NE 3.04Å; E417-R468 IonicContact OE1-NH2 2.81Å; E417-R468 PolarHBondContact OE1-NH2 2.88Å; E417-R468 IonicContact OE2-CZ 2.8Å; E417-R468 IonicContact OE2-NE 3.77Å; E417-R468 PolarHBondContact OE2-NE 3.1Å; E417-R468 IonicContact OE2-NH2 3.69Å
418I93.8Very high92.8Very high1 Ų151.2 Ų51.21%0.00528%0.283CS..Hα-helixtrans-62.9-39.7-179.6-60.6-53.7000111L400 L413 D414 S420 L421 L422 F471 I475L400-I418 HydrophobicContact CD1-CB 3.95Å; L400-I418 HydrophobicContact CD1-CG2 3.72Å; L400-I418 HydrophobicContact CD2-CG2 4.17Å; L413-I418 HydrophobicContact CD1-CD1 4.31Å; L413-I418 HydrophobicContact CD1-CG1 3.83Å; D414-I418 WeakPolarHBondContact O-CG1 3.3Å; D414-I418 PolarHBondContact O-N 2.91Å; I418-S420 PolarHBondContact O-N 3.11Å; I418-L421 HydrophobicContact CD1-CD1 4.24Å; I418-L421 PolarHBondContact O-N 3.12Å; I418-L422 HydrophobicContact CG2-CD1 3.8Å; I418-L422 HydrophobicContact CG2-CG 4.27Å; I418-L422 VanDerWaalsContact O-CG 3.31Å; I418-L422 WeakPolarHBondContact O-CG 3.5Å; I418-L422 PolarHBondContact O-N 3.1Å; I418-F471 HydrophobicContact CD1-CB 3.83Å; I418-F471 HydrophobicContact CD1-CG 4.41Å; I418-F471 HydrophobicContact CG1-CB 4.41Å; I418-F471 HydrophobicContact CG1-CG 4.47Å; I418-F471 HydrophobicContact CG2-CD1 3.83Å; I418-F471 HydrophobicContact CG2-CE1 4.32Å; I418-F471 HydrophobicContact CG2-CG 4.4Å; I418-I475 HydrophobicContact CG2-CD1 4.38Å
419S94.2Very high93.1Very high2 Ų247 Ų471%0.01427%0.265CS..Hα-helixtrans-60.3-31.7176.580.70000112.7R396 F415 D416 E417R396-S419 PolarHBondContact NE-O 2.91Å; R396-S419 PolarHBondContact NH2-O 3.44Å; F415-S419 WeakPolarHBondContact O-CB 3.5Å; F415-S419 PolarHBondContact O-N 3.42Å; F415-S419 PolarHBondContact O-OG 3.43Å; D416-S419 PolarHBondContact O-N 3.48Å; D416-S419 PolarHBondContact O-OG 3.11Å; E417-S419 VanDerWaalsContact C-N 3.32Å; E417-S419 PolarHBondContact O-N 3.46Å
420S94.7Very high93.3Very high74 Ų7444.8 Ų44.852%0.51725%0.252SS..Hα-helixtrans-73.7-39.9177.6-60.90000111.6D416 E417 I418 L422 H423D416-S420 PolarHBondContact O-N 3.02Å; D416-S420 PolarHBondContact O-OG 3.03Å; E417-S420 WeakPolarHBondContact O-CB 3.23Å; E417-S420 PolarHBondContact O-N 3.45Å; E417-S420 VanDerWaalsContact O-N 3.09Å; I418-S420 PolarHBondContact O-N 3.11Å; S420-L422 VanDerWaalsContact C-N 3.29Å; S420-L422 PolarHBondContact O-N 3.49Å; S420-H423 PolarHBondContact O-N 2.9Å
421L93.5Very high93.4Very high80 Ų8044.8 Ų44.842%0.41925%0.252SS..Hα-helixtrans-65.7-32175.7-66.7173.7000112.6E417 I418 H423 L472 I475E417-L421 PolarHBondContact O-N 2.69Å; E417-L421 VanDerWaalsContact O-N 3.17Å; I418-L421 HydrophobicContact CD1-CD1 4.24Å; I418-L421 PolarHBondContact O-N 3.12Å; L421-H423 PolarHBondContact O-N 3.34Å; L421-H423 VanDerWaalsContact O-N 3.14Å; L421-L472 HydrophobicContact CD1-CD2 3.68Å; L421-I475 HydrophobicContact CB-CD1 4.15Å; L421-I475 HydrophobicContact CD1-CD1 4.39Å
422L93.6Very high93.6Very high0 Ų040 Ų400%023%0.226CC..THydrogen-bonded Turntrans-8019.9179-64.9174.2000113.9R396 L400 I418 S420 G424 Y425 V430 V433 I475R396-L422 WeakPolarHBondContact CD-O 3.41Å; R396-L422 PolarHBondContact NE-O 3.25Å; L400-L422 HydrophobicContact CD1-CD1 4.37Å; L400-L422 HydrophobicContact CD2-CD1 3.87Å; L400-L422 HydrophobicContact CG-CD1 4.45Å; I418-L422 HydrophobicContact CG2-CD1 3.8Å; I418-L422 HydrophobicContact CG2-CG 4.27Å; I418-L422 VanDerWaalsContact O-CG 3.31Å; I418-L422 WeakPolarHBondContact O-CG 3.5Å; I418-L422 PolarHBondContact O-N 3.1Å; S420-L422 VanDerWaalsContact C-N 3.29Å; S420-L422 PolarHBondContact O-N 3.49Å; L422-G424 PolarHBondContact O-N 3.44Å; L422-Y425 HydrophobicContact CB-CD2 4.31Å; L422-Y425 HydrophobicContact CB-CG 4.35Å; L422-Y425 HydrophobicContact CD2-CD1 3.83Å; L422-Y425 HydrophobicContact CD2-CD2 4.17Å; L422-Y425 HydrophobicContact CD2-CE1 4.01Å; L422-Y425 HydrophobicContact CD2-CE2 4.28Å; L422-Y425 HydrophobicContact CD2-CG 3.98Å; L422-Y425 WeakPolarHBondContact O-CB 3.3Å; L422-Y425 WeakPolarHBondContact O-CD2 3.42Å; L422-Y425 PolarHBondContact O-N 3.03Å; L422-Y425 VanDerWaalsContact O-N 3.13Å; L422-V430 HydrophobicContact CD1-CG1 4.24Å; L422-V430 HydrophobicContact CD1-CG2 4.27Å; L422-V433 HydrophobicContact CD2-CG1 4.3Å; L422-V433 HydrophobicContact CD2-CG2 4.13Å; L422-I475 HydrophobicContact CD2-CD1 4.02Å; L422-I475 HydrophobicContact CD2-CG1 3.84Å; L422-I475 HydrophobicContact CG-CD1 4.38Å
423H92.9Very high93.8Very high119 Ų11936.2 Ų36.255%0.55121%0.206SC*.THydrogen-bonded Turntrans-58.8124177.1-179.7-103.8000112S420 L421 K480S420-H423 PolarHBondContact O-N 2.9Å; L421-H423 PolarHBondContact O-N 3.34Å; L421-H423 VanDerWaalsContact O-N 3.14Å; H423-K480 WeakPolarHBondContact O-CE 3.32Å; H423-K480 PolarHBondContact O-NZ 2.9Å
424G92.2Very high94Very high16 Ų1635.7 Ų35.717%0.16520%0.204CC..THydrogen-bonded Turntrans86.91.7-179.300000115.4L422L422-G424 PolarHBondContact O-N 3.44Å
425Y94.3Very high94Very high14 Ų1438.5 Ų38.56%0.05521%0.208CC..  trans-76.8141.6173.6-77.1-118.2000110.4P391 L422 D429 V433 S478 K480P391-Y425 WeakPolarHBondContact CD-O 3.3Å; P391-Y425 WeakPolarHBondContact CG-O 3.48Å; L422-Y425 HydrophobicContact CB-CD2 4.31Å; L422-Y425 HydrophobicContact CB-CG 4.35Å; L422-Y425 HydrophobicContact CD2-CD1 3.83Å; L422-Y425 HydrophobicContact CD2-CD2 4.17Å; L422-Y425 HydrophobicContact CD2-CE1 4.01Å; L422-Y425 HydrophobicContact CD2-CE2 4.28Å; L422-Y425 HydrophobicContact CD2-CG 3.98Å; L422-Y425 WeakPolarHBondContact O-CB 3.3Å; L422-Y425 WeakPolarHBondContact O-CD2 3.42Å; L422-Y425 PolarHBondContact O-N 3.03Å; L422-Y425 VanDerWaalsContact O-N 3.13Å; Y425-D429 HydrophobicContact CD1-CB 3.54Å; Y425-D429 HydrophobicContact CE1-CB 4.44Å; Y425-D429 HydrophobicContact CG-CB 4.17Å; Y425-V433 HydrophobicContact CD1-CG2 4.22Å; Y425-V433 HydrophobicContact CE1-CG2 3.97Å; Y425-S478 PolarHBondContact OH-O 3.25Å; Y425-K480 HydrophobicContact CD2-CD 4.19Å; Y425-K480 HydrophobicContact CD2-CG 3.71Å; Y425-K480 HydrophobicContact CE2-CD 4.07Å; Y425-K480 HydrophobicContact CE2-CG 3.49Å; Y425-K480 VanDerWaalsContact CE2-CG 3.49Å; Y425-K480 HydrophobicContact CG-CG 4.36Å
426S94.6Very high94.1Very high1 Ų137.7 Ų37.71%0.00721%0.206CC..  trans-75.6166.9169.273.80000111A428 D429 V430 S481S426-A428 PolarHBondContact O-N 3.38Å; S426-D429 WeakPolarHBondContact CB-OD2 3.46Å; S426-D429 PolarHBondContact N-OD2 3.5Å; S426-D429 PolarHBondContact O-N 3.03Å; S426-D429 PolarHBondContact OG-N 3.34Å; S426-D429 PolarHBondContact OG-OD2 2.96Å; S426-V430 WeakPolarHBondContact O-CG2 3.49Å; S426-V430 PolarHBondContact O-N 2.91Å; S426-S481 PolarHBondContact OG-OG 3.2Å
427G93.5Very high94.1Very high17 Ų1734.4 Ų34.418%0.17519%0.189CC..Hα-helixtrans-60-34.3175.700000113G263 A431G263-G427 CarbonylContact O-C 3.57Å; G263-G427 WeakPolarHBondContact O-CA 3.24Å; G263-G427 PolarHBondContact O-N 3.37Å; G427-A431 WeakPolarHBondContact O-CB 3.4Å; G427-A431 PolarHBondContact O-N 3.28Å
428A93.9Very high94Very high40 Ų4032.9 Ų32.933%0.33119%0.186SC..Hα-helixtrans-67.4-39.417300000112.3G263 S426 A431 N432G263-A428 PolarHBondContact O-N 3Å; S426-A428 PolarHBondContact O-N 3.38Å; A428-A431 PolarHBondContact O-N 3.32Å; A428-N432 WeakPolarHBondContact O-CB 3.26Å; A428-N432 PolarHBondContact O-N 3.32Å; A428-N432 PolarHBondContact O-ND2 3.37Å
429D95.5Very high93.9Very high18 Ų1836.4 Ų36.410%0.09620%0.203CC..Hα-helixtrans-66.1-43.5177.2-55.3-38.1000110.6Y425 S426 A431 N432 V433 S481Y425-D429 HydrophobicContact CD1-CB 3.54Å; Y425-D429 HydrophobicContact CE1-CB 4.44Å; Y425-D429 HydrophobicContact CG-CB 4.17Å; S426-D429 WeakPolarHBondContact CB-OD2 3.46Å; S426-D429 PolarHBondContact N-OD2 3.5Å; S426-D429 PolarHBondContact O-N 3.03Å; S426-D429 PolarHBondContact OG-N 3.34Å; S426-D429 PolarHBondContact OG-OD2 2.96Å; D429-A431 PolarHBondContact O-N 3.05Å; D429-N432 PolarHBondContact O-N 3.07Å; D429-V433 WeakPolarHBondContact O-CG2 3.38Å; D429-V433 PolarHBondContact O-N 3.29Å; D429-S481 WeakPolarHBondContact OD1-CB 3.4Å; D429-S481 PolarHBondContact OD1-OG 3.23Å; D429-S481 WeakPolarHBondContact OD2-CB 3.36Å; D429-S481 PolarHBondContact OD2-N 3.44Å; D429-S481 PolarHBondContact OD2-OG 3.49Å
430V95.1Very high93.6Very high0 Ų036.5 Ų36.50%020%0.203CC..Hα-helixtrans-59.3-46.6175.1176.40000111.1M399 L400 L422 S426 N432 V433 C434M399-V430 HydrophobicContact CB-CG1 4.09Å; L400-V430 HydrophobicContact CD2-CG1 3.97Å; L400-V430 HydrophobicContact CG-CG1 4.45Å; L422-V430 HydrophobicContact CD1-CG1 4.24Å; L422-V430 HydrophobicContact CD1-CG2 4.27Å; S426-V430 WeakPolarHBondContact O-CG2 3.49Å; S426-V430 PolarHBondContact O-N 2.91Å; V430-N432 VanDerWaalsContact C-N 3.3Å; V430-N432 PolarHBondContact O-N 3.47Å; V430-V433 PolarHBondContact O-N 3.27Å; V430-C434 PolarHBondContact O-N 2.97Å; V430-C434 PolarHBondContact O-SG 3.3Å; V430-C434 VanDerWaalsContact O-SG 3.38Å
431A94Very high93.1Very high21 Ų2133.2 Ų33.217%0.17418%0.18CC..Hα-helixtrans-62.5-3717700000112.4G427 A428 D429 C434 R435G427-A431 WeakPolarHBondContact O-CB 3.4Å; G427-A431 PolarHBondContact O-N 3.28Å; A428-A431 PolarHBondContact O-N 3.32Å; D429-A431 PolarHBondContact O-N 3.05Å; A431-C434 PolarHBondContact O-N 3.21Å; A431-R435 WeakPolarHBondContact O-CB 3.48Å; A431-R435 PolarHBondContact O-N 3.15Å
432N94.8Very high92.8Very high77 Ų7732.8 Ų32.841%0.41218%0.177SC..Hα-helixtrans-67.9-39175.1-72.1-24.6000112A428 D429 V430 R435 D436A428-N432 WeakPolarHBondContact O-CB 3.26Å; A428-N432 PolarHBondContact O-N 3.32Å; A428-N432 PolarHBondContact O-ND2 3.37Å; D429-N432 PolarHBondContact O-N 3.07Å; V430-N432 VanDerWaalsContact C-N 3.3Å; V430-N432 PolarHBondContact O-N 3.47Å; N432-R435 PolarHBondContact O-N 3.34Å; N432-R435 PolarHBondContact OD1-NH1 3.49Å; N432-D436 WeakPolarHBondContact O-CB 3.44Å; N432-D436 PolarHBondContact O-N 2.86Å
433V95.4Very high92.6Very high0 Ų037.3 Ų37.30%019%0.194CC..Hα-helixtrans-61.5-47.7173.2171.80000110.6L422 Y425 D429 V430 R435 D436 A437 F471 A474 I475 S478L422-V433 HydrophobicContact CD2-CG1 4.3Å; L422-V433 HydrophobicContact CD2-CG2 4.13Å; Y425-V433 HydrophobicContact CD1-CG2 4.22Å; Y425-V433 HydrophobicContact CE1-CG2 3.97Å; D429-V433 WeakPolarHBondContact O-CG2 3.38Å; D429-V433 PolarHBondContact O-N 3.29Å; V430-V433 PolarHBondContact O-N 3.27Å; V433-R435 VanDerWaalsContact C-N 3.31Å; V433-R435 PolarHBondContact O-N 2.94Å; V433-D436 PolarHBondContact O-N 2.88Å; V433-A437 WeakPolarHBondContact O-CB 3.35Å; V433-A437 PolarHBondContact O-N 3.23Å; V433-F471 HydrophobicContact CG1-CD1 3.93Å; V433-F471 HydrophobicContact CG1-CE1 4.2Å; V433-A474 HydrophobicContact CG1-CB 4.15Å; V433-I475 HydrophobicContact CG1-CG1 3.85Å; V433-S478 VanDerWaalsContact CG2-OG 3.25Å; V433-S478 WeakPolarHBondContact CG2-OG 3.38Å
434C94.5Very high92.3Very high4 Ų435.7 Ų35.73%0.02718%0.183CC..Hα-helixtrans-58.8-43.3176.6-66.80000111.8L400 N403 L404 V430 A431 A437 S438L400-C434 VanDerWaalsContact CD2-SG 3.56Å; N403-C434 HydrophobicContact CB-CB 3.95Å; L404-C434 HydrophobicContact CD2-CB 4.09Å; V430-C434 PolarHBondContact O-N 2.97Å; V430-C434 PolarHBondContact O-SG 3.3Å; V430-C434 VanDerWaalsContact O-SG 3.38Å; A431-C434 PolarHBondContact O-N 3.21Å; C434-A437 PolarHBondContact O-N 3.25Å; C434-S438 WeakPolarHBondContact O-CB 3.49Å; C434-S438 PolarHBondContact O-N 2.89Å
435R93.8Very high91.7Very high137 Ų13738.2 Ų38.252%0.51719%0.188SC..Hα-helixtrans-63.9-40.6176.7-173.3-173.8-62.3126.55.1112.1A431 N432 V433 S438 M439A431-R435 WeakPolarHBondContact O-CB 3.48Å; A431-R435 PolarHBondContact O-N 3.15Å; N432-R435 PolarHBondContact O-N 3.34Å; N432-R435 PolarHBondContact OD1-NH1 3.49Å; V433-R435 VanDerWaalsContact C-N 3.31Å; V433-R435 PolarHBondContact O-N 2.94Å; R435-S438 PolarHBondContact O-OG 2.8Å; R435-M439 HydrophobicContact CG-CE 4.37Å; R435-M439 WeakPolarHBondContact O-CG 3.42Å; R435-M439 PolarHBondContact O-N 3.08Å
436D94.1Very high91.3Very high35 Ų3540.3 Ų40.319%0.18720%0.199CC..Hα-helixtrans-70-42.3-180-161.449.7000110.9N432 V433 S438 M439 M440 R443 A474N432-D436 WeakPolarHBondContact O-CB 3.44Å; N432-D436 PolarHBondContact O-N 2.86Å; V433-D436 PolarHBondContact O-N 2.88Å; D436-S438 PolarHBondContact O-N 2.89Å; D436-M439 PolarHBondContact O-N 3.18Å; D436-M439 VanDerWaalsContact O-N 3.17Å; D436-M440 WeakPolarHBondContact O-CG 3.39Å; D436-M440 PolarHBondContact O-N 3.11Å; D436-M440 WeakPolarHBondContact OD2-CE 3.41Å; D436-R443 IonicContact OD1-CZ 3.79Å; D436-R443 IonicContact OD1-NH1 3.05Å; D436-R443 PolarHBondContact OD1-NH1 2.63Å; D436-R443 IonicContact OD1-NH2 3.61Å; D436-R443 PolarHBondContact OD1-NH2 2.93Å; D436-R443 IonicContact OD2-NH1 3.24Å; D436-A474 HydrophobicContact CB-CB 3.99Å
437A93.7Very high90.8Very high0 Ų044.5 Ų44.50%023%0.233CC..Hα-helixtrans-60.2-43.217400000111.9V433 C434 M439 M440 I466 D470 F471 A474V433-A437 WeakPolarHBondContact O-CB 3.35Å; V433-A437 PolarHBondContact O-N 3.23Å; C434-A437 PolarHBondContact O-N 3.25Å; A437-M439 PolarHBondContact O-N 3.24Å; A437-M440 WeakPolarHBondContact O-CB 3.36Å; A437-M440 PolarHBondContact O-N 2.68Å; A437-M440 VanDerWaalsContact O-N 3.1Å; A437-I466 HydrophobicContact CB-CG2 4.16Å; A437-D470 HydrophobicContact CB-CB 4.27Å; A437-F471 HydrophobicContact CB-CD1 4.14Å; A437-F471 HydrophobicContact CB-CD2 3.98Å; A437-F471 HydrophobicContact CB-CE1 4.13Å; A437-F471 HydrophobicContact CB-CE2 3.99Å; A437-F471 HydrophobicContact CB-CG 4.07Å; A437-F471 HydrophobicContact CB-CZ 4.05Å; A437-A474 HydrophobicContact CB-CB 4.09Å
438S91.5Very high90.3Very high35 Ų3550.2 Ų50.225%0.24526%0.256CS..Hα-helixtrans-65.7-21.5177.978.70000113.5C434 R435 D436C434-S438 WeakPolarHBondContact O-CB 3.49Å; C434-S438 PolarHBondContact O-N 2.89Å; R435-S438 PolarHBondContact O-OG 2.8Å; D436-S438 PolarHBondContact O-N 2.89Å
439M91.4Very high89.7Confident75 Ų7549.1 Ų49.137%0.36924%0.244SC..Hα-helixtrans-89-12.6176-71.1-174.2171.900113.3R435 D436 A437 M442 R443R435-M439 HydrophobicContact CG-CE 4.37Å; R435-M439 WeakPolarHBondContact O-CG 3.42Å; R435-M439 PolarHBondContact O-N 3.08Å; D436-M439 PolarHBondContact O-N 3.18Å; D436-M439 VanDerWaalsContact O-N 3.17Å; A437-M439 PolarHBondContact O-N 3.24Å; M439-M442 PolarHBondContact O-N 2.68Å; M439-R443 WeakPolarHBondContact O-CB 3.36Å; M439-R443 WeakPolarHBondContact O-CG 3.3Å; M439-R443 PolarHBondContact O-N 3.06Å
440M89.3Confident88.8Confident3 Ų350.1 Ų50.12%0.01526%0.259CS..Hα-helixtrans-66.4-39.8-174.4-70.6-56.1175.900113.1D436 A437 R443 R444 D470 E473 A474 K477D436-M440 WeakPolarHBondContact O-CG 3.39Å; D436-M440 PolarHBondContact O-N 3.11Å; D436-M440 WeakPolarHBondContact OD2-CE 3.41Å; A437-M440 WeakPolarHBondContact O-CB 3.36Å; A437-M440 PolarHBondContact O-N 2.68Å; A437-M440 VanDerWaalsContact O-N 3.1Å; M440-R443 PolarHBondContact O-N 3.48Å; M440-R444 PolarHBondContact O-N 2.96Å; M440-D470 HydrophobicContact CB-CB 3.99Å; M440-D470 WeakPolarHBondContact CB-OD1 3.48Å; M440-D470 HydrophobicContact CG-CB 4.21Å; M440-E473 HydrophobicContact CE-CB 4.42Å; M440-E473 HydrophobicContact CE-CG 4.09Å; M440-E473 HydrophobicContact SD-CG 4.46Å; M440-A474 HydrophobicContact CE-CB 4.26Å; M440-K477 HydrophobicContact CE-CD 4.1Å
441S83.9Confident88.1Confident6 Ų655.5 Ų55.54%0.04229%0.292CS..Hα-helixtrans-58.2-53.2175.948.20000111.5R443 R444 R445S441-R443 PolarHBondContact O-N 2.77Å; S441-R444 PolarHBondContact O-N 2.71Å; S441-R445 PolarHBondContact O-N 3.11Å
442M87.6Confident87.3Confident70 Ų7061.4 Ų61.435%0.34532%0.321SS..Hα-helixtrans-58.5-45.5176-176.9-163.568.300111.5M439 R444 R445 I446 Y462M439-M442 PolarHBondContact O-N 2.68Å; M442-R444 VanDerWaalsContact C-N 3.34Å; M442-R444 PolarHBondContact O-N 3.24Å; M442-R445 PolarHBondContact O-N 3.13Å; M442-I446 HydrophobicContact CE-CD1 4.32Å; M442-I446 HydrophobicContact CG-CD1 3.69Å; M442-I446 HydrophobicContact CG-CG1 4.34Å; M442-I446 WeakPolarHBondContact O-CB 3.41Å; M442-I446 WeakPolarHBondContact O-CG1 3.38Å; M442-I446 PolarHBondContact O-N 3.15Å; M442-I446 HydrophobicContact SD-CD1 4.14Å; M442-Y462 HydrophobicContact CG-CD1 3.98Å; M442-Y462 HydrophobicContact CG-CG 4.39Å
443R88.8Confident86.6Confident96 Ų9663.4 Ų63.436%0.36233%0.328SS..Hα-helixtrans-61.1-39.6178.8-75.5172.2-169.8162.62112.5D436 M439 M440 S441 A447D436-R443 IonicContact OD1-CZ 3.79Å; D436-R443 IonicContact OD1-NH1 3.05Å; D436-R443 PolarHBondContact OD1-NH1 2.63Å; D436-R443 IonicContact OD1-NH2 3.61Å; D436-R443 PolarHBondContact OD1-NH2 2.93Å; D436-R443 IonicContact OD2-NH1 3.24Å; M439-R443 WeakPolarHBondContact O-CB 3.36Å; M439-R443 WeakPolarHBondContact O-CG 3.3Å; M439-R443 PolarHBondContact O-N 3.06Å; M440-R443 PolarHBondContact O-N 3.48Å; S441-R443 PolarHBondContact O-N 2.77Å; R443-A447 WeakPolarHBondContact O-CB 3.46Å; R443-A447 PolarHBondContact O-N 3.26Å
444R85.8Confident85.8Confident84 Ų8465.8 Ų65.832%0.31734%0.34SS..Hα-helixtrans-64.9-44.6174.6-76.9-170-66.7-88.81.3111.6M440 S441 M442 A447 E448 D470M440-R444 PolarHBondContact O-N 2.96Å; S441-R444 PolarHBondContact O-N 2.71Å; M442-R444 VanDerWaalsContact C-N 3.34Å; M442-R444 PolarHBondContact O-N 3.24Å; R444-A447 WeakPolarHBondContact O-CB 3.37Å; R444-A447 PolarHBondContact O-N 2.89Å; R444-A447 VanDerWaalsContact O-N 3.15Å; R444-E448 PolarHBondContact O-N 3.48Å; R444-D470 IonicContact CZ-OD1 2.71Å; R444-D470 IonicContact NH1-OD1 2.81Å; R444-D470 PolarHBondContact NH1-OD1 2.96Å; R444-D470 VanDerWaalsContact NH2-CG 3.33Å; R444-D470 IonicContact NH2-OD1 3.96Å; R444-D470 PolarHBondContact NH2-OD1 3.35Å; R444-D470 IonicContact NH2-OD2 3.55Å; R444-D470 PolarHBondContact NH2-OD2 3.39Å
445R80.8Confident85.1Confident70 Ų7075 Ų7526%0.26438%0.379SS..Hα-helixtrans-64-43.7179.4-163.669.5-176.2130.21.8112S441 M442 A447 E448 I449 E461 Y462S441-R445 PolarHBondContact O-N 3.11Å; M442-R445 PolarHBondContact O-N 3.13Å; R445-A447 VanDerWaalsContact C-N 3.26Å; R445-A447 PolarHBondContact O-N 3.23Å; R445-E448 IonicContact CZ-OE2 2.67Å; R445-E448 IonicContact NH1-OE2 3.2Å; R445-E448 PolarHBondContact NH1-OE2 2.97Å; R445-E448 PolarHBondContact O-N 3.17Å; R445-E448 VanDerWaalsContact O-N 3.15Å; R445-I449 HydrophobicContact CG-CD1 3.88Å; R445-I449 WeakPolarHBondContact O-CG1 3.03Å; R445-I449 PolarHBondContact O-N 3.49Å; R445-E461 IonicContact CZ-OE1 2.9Å; R445-E461 IonicContact NE-OE1 2.72Å; R445-E461 PolarHBondContact NE-OE1 3.36Å; R445-E461 IonicContact NH2-OE1 3.89Å; R445-E461 PolarHBondContact NH2-OE1 3.1Å; R445-Y462 HydrophobicContact CB-CD1 4.11Å; R445-Y462 HydrophobicContact CB-CE1 4.34Å; R445-Y462 HydrophobicContact CG-CD1 4.12Å; R445-Y462 HydrophobicContact CG-CE1 4.13Å
446I84.8Confident84.5Confident58 Ų5872.7 Ų72.730%0.29739%0.389SS..Hα-helixtrans-65.3-28.4175.3-68.9173.9000111.9M442 E448 I454 Y462M442-I446 HydrophobicContact CE-CD1 4.32Å; M442-I446 HydrophobicContact CG-CD1 3.69Å; M442-I446 HydrophobicContact CG-CG1 4.34Å; M442-I446 WeakPolarHBondContact O-CB 3.41Å; M442-I446 WeakPolarHBondContact O-CG1 3.38Å; M442-I446 PolarHBondContact O-N 3.15Å; M442-I446 HydrophobicContact SD-CD1 4.14Å; I446-E448 VanDerWaalsContact C-N 3.29Å; I446-E448 PolarHBondContact O-N 3.3Å; I446-I454 HydrophobicContact CG1-CD1 4.35Å; I446-I454 HydrophobicContact CG2-CD1 3.75Å; I446-Y462 HydrophobicContact CG1-CD1 4.46Å; I446-Y462 HydrophobicContact CG1-CE1 3.88Å
447A85.4Confident83.7Confident88 Ų8872.2 Ų72.273%0.72739%0.388SS*.Hα-helixtrans-72.1-23.4175.500000113.1R443 R444 R445R443-A447 WeakPolarHBondContact O-CB 3.46Å; R443-A447 PolarHBondContact O-N 3.26Å; R444-A447 WeakPolarHBondContact O-CB 3.37Å; R444-A447 PolarHBondContact O-N 2.89Å; R444-A447 VanDerWaalsContact O-N 3.15Å; R445-A447 VanDerWaalsContact C-N 3.26Å; R445-A447 PolarHBondContact O-N 3.23Å
448E83Confident83.1Confident137 Ų13775.5 Ų75.564%0.6441%0.409SS*.Hα-helixtrans-86.7-25.4176.5-66.7171.2177.700112.7R444 R445 I446R444-E448 PolarHBondContact O-N 3.48Å; R445-E448 IonicContact CZ-OE2 2.67Å; R445-E448 IonicContact NH1-OE2 3.2Å; R445-E448 PolarHBondContact NH1-OE2 2.97Å; R445-E448 PolarHBondContact O-N 3.17Å; R445-E448 VanDerWaalsContact O-N 3.15Å; I446-E448 VanDerWaalsContact C-N 3.29Å; I446-E448 PolarHBondContact O-N 3.3Å
449I81Confident82.6Confident17 Ų1779.1 Ų79.19%0.08743%0.43CS..SBendtrans-108.8132-170.8-61.8-178000109.9R445 E453 I454 V457R445-I449 HydrophobicContact CG-CD1 3.88Å; R445-I449 WeakPolarHBondContact O-CG1 3.03Å; R445-I449 PolarHBondContact O-N 3.49Å; I449-E453 HydrophobicContact CG2-CB 3.3Å; I449-E453 HydrophobicContact CG2-CG 4.46Å; I449-I454 HydrophobicContact CG2-CG1 4.4Å; I449-V457 HydrophobicContact CD1-CG2 3.79Å; I449-V457 HydrophobicContact CG2-CG2 4.49Å
450G76.7Confident82.1Confident40 Ų4082 Ų8241%0.41244%0.442SS..  trans-64154.6177.600000112.3D452 E453 I454G450-D452 PolarHBondContact O-N 3.3Å; G450-E453 PolarHBondContact O-N 3.46Å; G450-I454 PolarHBondContact O-N 2.95Å
451T80.4Confident81.5Confident113 Ų11385.3 Ų85.369%0.69346%0.458SS*.THydrogen-bonded Turntrans-54-30.8-177.349.20000114.3
452D77.1Confident81.2Confident145 Ų14586.5 Ų86.578%0.77546%0.461SS*.THydrogen-bonded Turntrans-77.2-27.5-178-60.8-24.9000112.3G450G450-D452 PolarHBondContact O-N 3.3Å
453E79.5Confident80.9Confident119 Ų11986.5 Ų86.556%0.55646%0.463SS*.THydrogen-bonded Turntrans-84.3-21.8-179.1-69.5173.1-177.400112.3I449 G450 K455 A456 V457I449-E453 HydrophobicContact CG2-CB 3.3Å; I449-E453 HydrophobicContact CG2-CG 4.46Å; G450-E453 PolarHBondContact O-N 3.46Å; E453-K455 PolarHBondContact O-N 3.26Å; E453-K455 VanDerWaalsContact O-N 3.09Å; E453-A456 WeakPolarHBondContact O-CB 3.13Å; E453-A456 PolarHBondContact O-N 2.88Å; E453-V457 PolarHBondContact O-N 3.05Å
454I79.5Confident80.7Confident50 Ų5086 Ų8626%0.25647%0.467SS..THydrogen-bonded Turntrans-52.9-37.7-179.1-64.4173.9000112.1I446 I449 G450 A456 Y462I446-I454 HydrophobicContact CG1-CD1 4.35Å; I446-I454 HydrophobicContact CG2-CD1 3.75Å; I449-I454 HydrophobicContact CG2-CG1 4.4Å; G450-I454 PolarHBondContact O-N 2.95Å; I454-A456 VanDerWaalsContact C-N 3.32Å; I454-A456 PolarHBondContact O-N 2.75Å; I454-Y462 VanDerWaalsContact CA-OH 3.31Å; I454-Y462 WeakPolarHBondContact CA-OH 3.45Å; I454-Y462 WeakPolarHBondContact CG2-OH 3.49Å; I454-Y462 PolarHBondContact O-OH 3.5Å
455K79.8Confident80.9Confident197 Ų19784.9 Ų84.986%0.85747%0.471SS*.THydrogen-bonded Turntrans-73.6-21.4-179.3-67.6-177.1-179.2176.40113.8E453E453-K455 PolarHBondContact O-N 3.26Å; E453-K455 VanDerWaalsContact O-N 3.09Å
456A80.4Confident81.4Confident88 Ų8881.8 Ų81.873%0.72746%0.459SS*.THydrogen-bonded Turntrans-87.9-18.5-177.800000112.5E453 I454E453-A456 WeakPolarHBondContact O-CB 3.13Å; E453-A456 PolarHBondContact O-N 2.88Å; I454-A456 VanDerWaalsContact C-N 3.32Å; I454-A456 PolarHBondContact O-N 2.75Å
457V78.1Confident81.8Confident26 Ų2680.8 Ų80.816%0.15846%0.456CS..SBendtrans-80.8128.4-178.5175.80000109.9I449 E453 E461 Y462I449-V457 HydrophobicContact CD1-CG2 3.79Å; I449-V457 HydrophobicContact CG2-CG2 4.49Å; E453-V457 PolarHBondContact O-N 3.05Å; V457-E461 HydrophobicContact CG1-CB 3.68Å; V457-E461 HydrophobicContact CG1-CG 4.11Å; V457-E461 WeakPolarHBondContact CG1-OE2 3.36Å; V457-Y462 HydrophobicContact CB-CE2 3.8Å; V457-Y462 WeakPolarHBondContact CB-OH 3.38Å; V457-Y462 HydrophobicContact CG1-CD2 4.16Å; V457-Y462 HydrophobicContact CG1-CE1 4.31Å; V457-Y462 HydrophobicContact CG1-CE2 3.51Å
458P81Confident82.1Confident69 Ų6980.8 Ų80.845%0.44844%0.437SS..  trans-63.3148.8176.626.6-33000111.5E460 E461P458-E460 WeakPolarHBondContact CB-OE2 3.37Å; P458-E460 PolarHBondContact O-N 3.43Å; P458-E461 HydrophobicContact CG-CB 4.28Å; P458-E461 WeakPolarHBondContact O-CB 3.35Å; P458-E461 PolarHBondContact O-N 2.88Å
459V80.5Confident82.6Confident111 Ų11182.5 Ų82.567%0.67344%0.437SS*.Hα-helixtrans-59.9-33.8-174.2178.60000111.3E461 Y462 D463V459-E461 PolarHBondContact O-N 3.32Å; V459-Y462 WeakPolarHBondContact O-CB 3.35Å; V459-Y462 PolarHBondContact O-N 3.33Å; V459-D463 PolarHBondContact O-N 3.38Å
460E79.8Confident83.2Confident136 Ų13681.7 Ų81.764%0.63643%0.433SS*.Hα-helixtrans-61.5-26.7-179.9-6271.9-157.900112.7P458 Y462 D463P458-E460 WeakPolarHBondContact CB-OE2 3.37Å; P458-E460 PolarHBondContact O-N 3.43Å; E460-Y462 VanDerWaalsContact C-N 3.3Å; E460-D463 PolarHBondContact O-N 3.03Å
461E77.2Confident84Confident72 Ų7279.8 Ų79.834%0.33641%0.414SS..Hα-helixtrans-76.7-20.9178.3-162.5177.2155.800112.2R445 V457 P458 V459R445-E461 IonicContact CZ-OE1 2.9Å; R445-E461 IonicContact NE-OE1 2.72Å; R445-E461 PolarHBondContact NE-OE1 3.36Å; R445-E461 IonicContact NH2-OE1 3.89Å; R445-E461 PolarHBondContact NH2-OE1 3.1Å; V457-E461 HydrophobicContact CG1-CB 3.68Å; V457-E461 HydrophobicContact CG1-CG 4.11Å; V457-E461 WeakPolarHBondContact CG1-OE2 3.36Å; P458-E461 HydrophobicContact CG-CB 4.28Å; P458-E461 WeakPolarHBondContact O-CB 3.35Å; P458-E461 PolarHBondContact O-N 2.88Å; V459-E461 PolarHBondContact O-N 3.32Å
462Y77.7Confident84.7Confident30 Ų3077.4 Ų77.412%0.11840%0.397CS..Hα-helixtrans-84.1-25171.3-60.2-74.5000112.5M442 R445 I446 I454 V457 V459 E460 L464M442-Y462 HydrophobicContact CG-CD1 3.98Å; M442-Y462 HydrophobicContact CG-CG 4.39Å; R445-Y462 HydrophobicContact CB-CD1 4.11Å; R445-Y462 HydrophobicContact CB-CE1 4.34Å; R445-Y462 HydrophobicContact CG-CD1 4.12Å; R445-Y462 HydrophobicContact CG-CE1 4.13Å; I446-Y462 HydrophobicContact CG1-CD1 4.46Å; I446-Y462 HydrophobicContact CG1-CE1 3.88Å; I454-Y462 VanDerWaalsContact CA-OH 3.31Å; I454-Y462 WeakPolarHBondContact CA-OH 3.45Å; I454-Y462 WeakPolarHBondContact CG2-OH 3.49Å; I454-Y462 PolarHBondContact O-OH 3.5Å; V457-Y462 HydrophobicContact CB-CE2 3.8Å; V457-Y462 WeakPolarHBondContact CB-OH 3.38Å; V457-Y462 HydrophobicContact CG1-CD2 4.16Å; V457-Y462 HydrophobicContact CG1-CE1 4.31Å; V457-Y462 HydrophobicContact CG1-CE2 3.51Å; V459-Y462 WeakPolarHBondContact O-CB 3.35Å; V459-Y462 PolarHBondContact O-N 3.33Å; E460-Y462 VanDerWaalsContact C-N 3.3Å; Y462-L464 PolarHBondContact O-N 2.98Å
463D81.9Confident85.5Confident71 Ų7173.2 Ų73.238%0.3837%0.372SS..  trans-82.956.8-177.2-171.338.7000112.3K408 V459 E460K408-D463 VanDerWaalsContact CE-OD2 3.3Å; K408-D463 WeakPolarHBondContact CE-OD2 3.5Å; K408-D463 IonicContact NZ-OD2 3.36Å; K408-D463 PolarHBondContact NZ-OD2 3.19Å; V459-D463 PolarHBondContact O-N 3.38Å; E460-D463 PolarHBondContact O-N 3.03Å
464L84Confident86.2Confident86 Ų8667.6 Ų67.645%0.4535%0.346SS..PPolyproline II helixtrans-77148172.7-63.5169.2000110.6Y462Y462-L464 PolarHBondContact O-N 2.98Å
465P89.6Confident86.8Confident60 Ų6066.5 Ų66.539%0.3934%0.34SS..PPolyproline II helixtrans-62.4139.2179.527.5-35.3000111.6K408 A410 T467K408-P465 HydrophobicContact CB-CB 4.16Å; K408-P465 WeakPolarHBondContact O-CA 3.29Å; A410-P465 HydrophobicContact CB-CB 4.14Å; P465-T467 PolarHBondContact O-N 3.26Å
466I91.9Very high87.5Confident5 Ų565.3 Ų65.33%0.02634%0.338CS..BIsolated β-bridgetrans-73125.2179.9-55.1169.6000108.9L404 L407 K408 A410 A437 D470 F471L404-I466 HydrophobicContact CD2-CD1 4.02Å; L407-I466 HydrophobicContact CB-CD1 4.03Å; L407-I466 HydrophobicContact CD1-CD1 3.81Å; K408-I466 PolarHBondContact O-N 3.44Å; A410-I466 WeakPolarHBondContact CB-O 3.07Å; A410-I466 PolarHBondContact N-O 2.82Å; A437-I466 HydrophobicContact CB-CG2 4.16Å; I466-D470 HydrophobicContact CG2-CB 4Å; I466-F471 HydrophobicContact CG2-CD2 3.84Å; I466-F471 HydrophobicContact CG2-CE2 3.51Å
467T92.4Very high88Confident37 Ų3767 Ų6723%0.22733%0.329CS..PPolyproline II helixtrans-100.1165.1-175.565.80000112.4A410 P465 R469 D470A410-T467 HydrophobicContact CB-CG2 4.19Å; P465-T467 PolarHBondContact O-N 3.26Å; T467-R469 PolarHBondContact O-N 3Å; T467-D470 PolarHBondContact N-OD2 2.64Å; T467-D470 WeakPolarHBondContact O-CB 3.43Å; T467-D470 PolarHBondContact O-N 2.86Å; T467-D470 VanDerWaalsContact O-N 3.11Å; T467-D470 VanDerWaalsContact OG1-CG 3.25Å; T467-D470 PolarHBondContact OG1-N 2.71Å; T467-D470 PolarHBondContact OG1-OD2 2.66Å
468R93.4Very high88.5Confident87 Ų8767.3 Ų67.333%0.32833%0.332SS..Hα-helixtrans-56.4-36.6172.1-178.3175.8173.2-82.8-2.9112.5D412 L413 E417 D470 F471 L472D412-R468 PolarHBondContact OD1-N 3.37Å; D412-R468 WeakPolarHBondContact OD2-CB 3.44Å; D412-R468 PolarHBondContact OD2-N 2.79Å; D412-R468 VanDerWaalsContact OD2-N 3.13Å; L413-R468 HydrophobicContact CD1-CB 4.47Å; E417-R468 IonicContact OE1-CZ 3.17Å; E417-R468 IonicContact OE1-NE 2.77Å; E417-R468 PolarHBondContact OE1-NE 3.04Å; E417-R468 IonicContact OE1-NH2 2.81Å; E417-R468 PolarHBondContact OE1-NH2 2.88Å; E417-R468 IonicContact OE2-CZ 2.8Å; E417-R468 IonicContact OE2-NE 3.77Å; E417-R468 PolarHBondContact OE2-NE 3.1Å; E417-R468 IonicContact OE2-NH2 3.69Å; R468-D470 VanDerWaalsContact C-N 3.28Å; R468-D470 PolarHBondContact O-N 3.46Å; R468-F471 PolarHBondContact O-N 3.09Å; R468-L472 WeakPolarHBondContact O-CG 3.39Å; R468-L472 PolarHBondContact O-N 3.34Å
469R93.2Very high88.9Confident173 Ų17368.9 Ų68.965%0.65335%0.345SS*.Hα-helixtrans-60.8-38178178.5179.1171.5157.1-0.6112.1T467 F471 L472 E473T467-R469 PolarHBondContact O-N 3Å; R469-F471 VanDerWaalsContact C-N 3.34Å; R469-L472 PolarHBondContact O-N 2.91Å; R469-E473 PolarHBondContact O-N 2.71Å
470D93.6Very high89.4Confident0 Ų068.6 Ų68.60%033%0.334CS..Hα-helixtrans-63.4-42.8-179.4-63.4-41.7000111.8A437 M440 R444 I466 T467 R468 E473 A474A437-D470 HydrophobicContact CB-CB 4.27Å; M440-D470 HydrophobicContact CB-CB 3.99Å; M440-D470 WeakPolarHBondContact CB-OD1 3.48Å; M440-D470 HydrophobicContact CG-CB 4.21Å; R444-D470 IonicContact CZ-OD1 2.71Å; R444-D470 IonicContact NH1-OD1 2.81Å; R444-D470 PolarHBondContact NH1-OD1 2.96Å; R444-D470 VanDerWaalsContact NH2-CG 3.33Å; R444-D470 IonicContact NH2-OD1 3.96Å; R444-D470 PolarHBondContact NH2-OD1 3.35Å; R444-D470 IonicContact NH2-OD2 3.55Å; R444-D470 PolarHBondContact NH2-OD2 3.39Å; I466-D470 HydrophobicContact CG2-CB 4Å; T467-D470 PolarHBondContact N-OD2 2.64Å; T467-D470 WeakPolarHBondContact O-CB 3.43Å; T467-D470 PolarHBondContact O-N 2.86Å; T467-D470 VanDerWaalsContact O-N 3.11Å; T467-D470 VanDerWaalsContact OG1-CG 3.25Å; T467-D470 PolarHBondContact OG1-N 2.71Å; T467-D470 PolarHBondContact OG1-OD2 2.66Å; R468-D470 VanDerWaalsContact C-N 3.28Å; R468-D470 PolarHBondContact O-N 3.46Å; D470-E473 PolarHBondContact O-N 3.38Å; D470-A474 VanDerWaalsContact O-CB 3.3Å; D470-A474 WeakPolarHBondContact O-CB 3.47Å; D470-A474 PolarHBondContact O-N 3.35Å
471F94Very high89.9Confident1 Ų165.1 Ų65.10%0.00433%0.325CS..Hα-helixtrans-65.2-42.7175.7-88-84.9000112.4L400 L404 L413 I418 V433 A437 I466 R468 R469 E473 A474 I475L400-F471 HydrophobicContact CD2-CE1 4.08Å; L404-F471 HydrophobicContact CD1-CE2 3.88Å; L404-F471 HydrophobicContact CD1-CZ 3.52Å; L404-F471 HydrophobicContact CD2-CZ 4.11Å; L404-F471 HydrophobicContact CG-CZ 4.31Å; L413-F471 HydrophobicContact CD1-CB 4.36Å; L413-F471 HydrophobicContact CD1-CD2 3.37Å; L413-F471 HydrophobicContact CD1-CE2 3.87Å; L413-F471 HydrophobicContact CD1-CG 4.01Å; L413-F471 HydrophobicContact CD2-CD2 3.92Å; L413-F471 HydrophobicContact CD2-CE2 3.49Å; L413-F471 VanDerWaalsContact CD2-CE2 3.49Å; L413-F471 HydrophobicContact CD2-CZ 4.28Å; L413-F471 HydrophobicContact CG-CD2 4.32Å; L413-F471 HydrophobicContact CG-CE2 4.36Å; I418-F471 HydrophobicContact CD1-CB 3.83Å; I418-F471 HydrophobicContact CD1-CG 4.41Å; I418-F471 HydrophobicContact CG1-CB 4.41Å; I418-F471 HydrophobicContact CG1-CG 4.47Å; I418-F471 HydrophobicContact CG2-CD1 3.83Å; I418-F471 HydrophobicContact CG2-CE1 4.32Å; I418-F471 HydrophobicContact CG2-CG 4.4Å; V433-F471 HydrophobicContact CG1-CD1 3.93Å; V433-F471 HydrophobicContact CG1-CE1 4.2Å; A437-F471 HydrophobicContact CB-CD1 4.14Å; A437-F471 HydrophobicContact CB-CD2 3.98Å; A437-F471 HydrophobicContact CB-CE1 4.13Å; A437-F471 HydrophobicContact CB-CE2 3.99Å; A437-F471 HydrophobicContact CB-CG 4.07Å; A437-F471 HydrophobicContact CB-CZ 4.05Å; I466-F471 HydrophobicContact CG2-CD2 3.84Å; I466-F471 HydrophobicContact CG2-CE2 3.51Å; R468-F471 PolarHBondContact O-N 3.09Å; R469-F471 VanDerWaalsContact C-N 3.34Å; F471-E473 VanDerWaalsContact C-N 3.35Å; F471-E473 PolarHBondContact O-N 2.61Å; F471-A474 PolarHBondContact O-N 3.49Å; F471-I475 WeakPolarHBondContact O-CB 3.21Å; F471-I475 WeakPolarHBondContact O-CD1 3.3Å; F471-I475 WeakPolarHBondContact O-CG1 3.2Å; F471-I475 PolarHBondContact O-N 2.95Å
472L94Very high90.6Very high63 Ų6362.4 Ų62.433%0.3331%0.313SS..Hα-helixtrans-62-43178-67177.4000111.9L421 R468 R469 I475 E476L421-L472 HydrophobicContact CD1-CD2 3.68Å; R468-L472 WeakPolarHBondContact O-CG 3.39Å; R468-L472 PolarHBondContact O-N 3.34Å; R469-L472 PolarHBondContact O-N 2.91Å; L472-I475 PolarHBondContact O-N 2.96Å; L472-E476 PolarHBondContact O-N 3.35Å
473E93.2Very high91.2Very high57 Ų5763.2 Ų63.227%0.26632%0.323SS..Hα-helixtrans-66.7-38.7177-170.9176.2162.600112M440 R469 D470 F471 K477M440-E473 HydrophobicContact CE-CB 4.42Å; M440-E473 HydrophobicContact CE-CG 4.09Å; M440-E473 HydrophobicContact SD-CG 4.46Å; R469-E473 PolarHBondContact O-N 2.71Å; D470-E473 PolarHBondContact O-N 3.38Å; F471-E473 VanDerWaalsContact C-N 3.35Å; F471-E473 PolarHBondContact O-N 2.61Å; E473-K477 HydrophobicContact CG-CD 4.46Å; E473-K477 WeakPolarHBondContact O-CG 3.33Å; E473-K477 PolarHBondContact O-N 3.37Å; E473-K477 WeakPolarHBondContact OE1-CE 3.46Å; E473-K477 IonicContact OE1-NZ 2.83Å; E473-K477 PolarHBondContact OE1-NZ 2.95Å
474A94.2Very high91.7Very high0 Ų067.4 Ų67.40%034%0.341CS..Hα-helixtrans-67-39.1175.100000112.5V433 D436 A437 M440 D470 F471 K477 S478V433-A474 HydrophobicContact CG1-CB 4.15Å; D436-A474 HydrophobicContact CB-CB 3.99Å; A437-A474 HydrophobicContact CB-CB 4.09Å; M440-A474 HydrophobicContact CE-CB 4.26Å; D470-A474 VanDerWaalsContact O-CB 3.3Å; D470-A474 WeakPolarHBondContact O-CB 3.47Å; D470-A474 PolarHBondContact O-N 3.35Å; F471-A474 PolarHBondContact O-N 3.49Å; A474-K477 PolarHBondContact O-N 2.89Å; A474-S478 VanDerWaalsContact O-CB 3.29Å; A474-S478 WeakPolarHBondContact O-CB 3.49Å; A474-S478 PolarHBondContact O-N 3.27Å; A474-S478 VanDerWaalsContact O-N 3.08Å; A474-S478 PolarHBondContact O-OG 3.49Å
475I93.8Very high92.1Very high28 Ų2866.2 Ų66.214%0.14434%0.339CS..Hα-helixtrans-66.4-41.7176.5-69.8165.9000110.4I418 L421 L422 V433 F471 L472 K477 S478I418-I475 HydrophobicContact CG2-CD1 4.38Å; L421-I475 HydrophobicContact CB-CD1 4.15Å; L421-I475 HydrophobicContact CD1-CD1 4.39Å; L422-I475 HydrophobicContact CD2-CD1 4.02Å; L422-I475 HydrophobicContact CD2-CG1 3.84Å; L422-I475 HydrophobicContact CG-CD1 4.38Å; V433-I475 HydrophobicContact CG1-CG1 3.85Å; F471-I475 WeakPolarHBondContact O-CB 3.21Å; F471-I475 WeakPolarHBondContact O-CD1 3.3Å; F471-I475 WeakPolarHBondContact O-CG1 3.2Å; F471-I475 PolarHBondContact O-N 2.95Å; L472-I475 PolarHBondContact O-N 2.96Å; I475-K477 VanDerWaalsContact C-N 3.3Å; I475-K477 PolarHBondContact O-N 3.01Å; I475-S478 WeakPolarHBondContact CA-OG 3.43Å; I475-S478 PolarHBondContact O-N 3.01Å; I475-S478 VanDerWaalsContact O-O 3.04Å; I475-S478 PolarHBondContact O-OG 2.87Å
476E92.9Very high92.1Very high172 Ų17265.6 Ų65.680%0.80433%0.333SS*.Hα-helixtrans-62.7-36.7177.1-172.3177.4-174.300112.4L472L472-E476 PolarHBondContact O-N 3.35Å
477K90.7Very high92.1Very high123 Ų12367.7 Ų67.754%0.53534%0.344SS..Hα-helixtrans-79.6-16.7178.2-69.8174.6-171.9170.30114M440 E473 A474 I475M440-K477 HydrophobicContact CE-CD 4.1Å; E473-K477 HydrophobicContact CG-CD 4.46Å; E473-K477 WeakPolarHBondContact O-CG 3.33Å; E473-K477 PolarHBondContact O-N 3.37Å; E473-K477 WeakPolarHBondContact OE1-CE 3.46Å; E473-K477 IonicContact OE1-NZ 2.83Å; E473-K477 PolarHBondContact OE1-NZ 2.95Å; A474-K477 PolarHBondContact O-N 2.89Å; I475-K477 VanDerWaalsContact C-N 3.3Å; I475-K477 PolarHBondContact O-N 3.01Å
478S89.4Confident92.2Very high32 Ų3272.2 Ų72.222%0.22436%0.362CS..  trans-105.8125.4-174.660.80000112.1Y425 V433 A474 I475Y425-S478 PolarHBondContact OH-O 3.25Å; V433-S478 VanDerWaalsContact CG2-OG 3.25Å; V433-S478 WeakPolarHBondContact CG2-OG 3.38Å; A474-S478 VanDerWaalsContact O-CB 3.29Å; A474-S478 WeakPolarHBondContact O-CB 3.49Å; A474-S478 PolarHBondContact O-N 3.27Å; A474-S478 VanDerWaalsContact O-N 3.08Å; A474-S478 PolarHBondContact O-OG 3.49Å; I475-S478 WeakPolarHBondContact CA-OG 3.43Å; I475-S478 PolarHBondContact O-N 3.01Å; I475-S478 VanDerWaalsContact O-O 3.04Å; I475-S478 PolarHBondContact O-OG 2.87Å
479S88.8Confident92.2Very high102 Ų10272.7 Ų72.771%0.71337%0.367SS*.  trans-94.2145.6174.358.20000111.6
480K92Very high92.2Very high106 Ų10665 Ų6546%0.46134%0.338SS..  trans-61.4136.3171.7-56.1177.9-167.1-1750110.5H423 Y425H423-K480 WeakPolarHBondContact O-CE 3.32Å; H423-K480 PolarHBondContact O-NZ 2.9Å; Y425-K480 HydrophobicContact CD2-CD 4.19Å; Y425-K480 HydrophobicContact CD2-CG 3.71Å; Y425-K480 HydrophobicContact CE2-CD 4.07Å; Y425-K480 HydrophobicContact CE2-CG 3.49Å; Y425-K480 VanDerWaalsContact CE2-CG 3.49Å; Y425-K480 HydrophobicContact CG-CG 4.36Å
481S90.4Very high92.2Very high62 Ų6270.5 Ų70.543%0.43436%0.364SS..SBendtrans-82.1-18179.759.20000114.4S426 D429S426-S481 PolarHBondContact OG-OG 3.2Å; D429-S481 WeakPolarHBondContact OD1-CB 3.4Å; D429-S481 PolarHBondContact OD1-OG 3.23Å; D429-S481 WeakPolarHBondContact OD2-CB 3.36Å; D429-S481 PolarHBondContact OD2-N 3.44Å; D429-S481 PolarHBondContact OD2-OG 3.49Å
482V91Very high92.2Very high16 Ų1677.7 Ų77.710%0.09740%0.395CS..SBendtrans-118.6128.8-173.3-173.90000110.1P261 L390 D486 L487P261-V482 HydrophobicContact CB-CB 4.45Å; P261-V482 HydrophobicContact CB-CG1 3.98Å; P261-V482 HydrophobicContact CB-CG2 3.55Å; P261-V482 HydrophobicContact CG-CG1 4.44Å; P261-V482 HydrophobicContact CG-CG2 4.38Å; L390-V482 HydrophobicContact CD2-CG2 4.2Å; V482-D486 HydrophobicContact CG1-CB 4.28Å; V482-L487 HydrophobicContact CG1-CD2 3.79Å; V482-L487 HydrophobicContact CG1-CG 4.08Å
483S91.7Very high92.1Very high47 Ų4775.5 Ų75.533%0.32938%0.382SS..  trans-86.6155.7174.978.90000111.8S485 D486 L487S483-S485 PolarHBondContact O-N 3.47Å; S483-S485 PolarHBondContact OG-OG 2.91Å; S483-D486 PolarHBondContact O-N 3.02Å; S483-D486 VanDerWaalsContact O-N 3.07Å; S483-D486 PolarHBondContact OG-N 3.12Å; S483-D486 PolarHBondContact OG-OD2 2.93Å; S483-L487 PolarHBondContact O-N 3.05Å
484E90.7Very high92Very high159 Ų15974.4 Ų74.474%0.74338%0.377SS*.Hα-helixtrans-58.8-36.3174.1-67.2-179.3173.500111.8D486 L487 E488E484-D486 PolarHBondContact O-N 3.4Å; E484-L487 WeakPolarHBondContact O-CB 3.46Å; E484-L487 PolarHBondContact O-N 3.08Å; E484-L487 VanDerWaalsContact O-N 3.12Å; E484-E488 PolarHBondContact O-N 3.21Å; E484-E488 VanDerWaalsContact O-N 3.11Å
485S92.3Very high91.9Very high60 Ų6081.3 Ų81.342%0.4242%0.415SS..Hα-helixtrans-62.9-28.317777.10000113.4S483 K489S483-S485 PolarHBondContact O-N 3.47Å; S483-S485 PolarHBondContact OG-OG 2.91Å; S485-K489 WeakPolarHBondContact O-CG 3.38Å; S485-K489 PolarHBondContact O-N 3.27Å
486D91.4Very high91.8Very high47 Ų4786.3 Ų86.325%0.25144%0.437SS..Hα-helixtrans-77.2-36.4176.3-61.9-45.4000111V482 S483 E484 E488 K489 Y490V482-D486 HydrophobicContact CG1-CB 4.28Å; S483-D486 PolarHBondContact O-N 3.02Å; S483-D486 VanDerWaalsContact O-N 3.07Å; S483-D486 PolarHBondContact OG-N 3.12Å; S483-D486 PolarHBondContact OG-OD2 2.93Å; E484-D486 PolarHBondContact O-N 3.4Å; D486-E488 VanDerWaalsContact C-N 3.31Å; D486-E488 PolarHBondContact O-N 3.29Å; D486-K489 WeakPolarHBondContact O-CB 3.48Å; D486-K489 PolarHBondContact O-N 3.41Å; D486-K489 VanDerWaalsContact O-N 3.17Å; D486-K489 IonicContact OD1-NZ 3.35Å; D486-K489 PolarHBondContact OD1-NZ 3.44Å; D486-Y490 HydrophobicContact CB-CE2 4.47Å; D486-Y490 WeakPolarHBondContact O-CD2 3.45Å; D486-Y490 PolarHBondContact O-N 3.12Å; D486-Y490 VanDerWaalsContact O-N 3.12Å
487L91.6Very high91.7Very high50 Ų5080.5 Ų80.526%0.26241%0.409SS..Hα-helixtrans-60.8-41.4173.8-60.6177.8000111.6P261 L390 V482 S483 E484 K489 Y490 Q491P261-L487 HydrophobicContact CG-CD2 4.35Å; L390-L487 HydrophobicContact CD1-CD1 3.75Å; L390-L487 HydrophobicContact CD1-CD2 3.87Å; L390-L487 HydrophobicContact CD1-CG 4.36Å; L390-L487 HydrophobicContact CG-CD2 4.04Å; V482-L487 HydrophobicContact CG1-CD2 3.79Å; V482-L487 HydrophobicContact CG1-CG 4.08Å; S483-L487 PolarHBondContact O-N 3.05Å; E484-L487 WeakPolarHBondContact O-CB 3.46Å; E484-L487 PolarHBondContact O-N 3.08Å; E484-L487 VanDerWaalsContact O-N 3.12Å; L487-K489 VanDerWaalsContact C-N 3.32Å; L487-K489 PolarHBondContact O-N 3.03Å; L487-Y490 PolarHBondContact O-N 2.88Å; L487-Q491 WeakPolarHBondContact O-CG 3.39Å; L487-Q491 PolarHBondContact O-N 3.22Å
488E93.6Very high91.1Very high131 Ų13175.9 Ų75.961%0.61240%0.397SS*.Hα-helixtrans-60.5-39.8174.7-69.5-179.1176.300112.3E484 D486 Q491 K492E484-E488 PolarHBondContact O-N 3.21Å; E484-E488 VanDerWaalsContact O-N 3.11Å; D486-E488 VanDerWaalsContact C-N 3.31Å; D486-E488 PolarHBondContact O-N 3.29Å; E488-Q491 PolarHBondContact O-N 3.15Å; E488-K492 WeakPolarHBondContact O-CB 3.36Å; E488-K492 PolarHBondContact O-N 3.19Å
489K94Very high90.1Very high97 Ų9776 Ų7642%0.42240%0.4SS..Hα-helixtrans-62.3-43.7175.9-67169.7-163157.60111.4W372 S485 D486 L487 K492 W493W372-K489 HydrophobicContact CE3-CB 4.45Å; W372-K489 HydrophobicContact CH2-CB 4.15Å; W372-K489 HydrophobicContact CH2-CD 4.32Å; W372-K489 HydrophobicContact CZ3-CB 3.79Å; S485-K489 WeakPolarHBondContact O-CG 3.38Å; S485-K489 PolarHBondContact O-N 3.27Å; D486-K489 WeakPolarHBondContact O-CB 3.48Å; D486-K489 PolarHBondContact O-N 3.41Å; D486-K489 VanDerWaalsContact O-N 3.17Å; D486-K489 IonicContact OD1-NZ 3.35Å; D486-K489 PolarHBondContact OD1-NZ 3.44Å; L487-K489 VanDerWaalsContact C-N 3.32Å; L487-K489 PolarHBondContact O-N 3.03Å; K489-K492 PolarHBondContact O-N 3.4Å; K489-W493 WeakPolarHBondContact O-CB 3.4Å; K489-W493 PolarHBondContact O-N 3.15Å
490Y93.4Very high88.5Confident12 Ų1279.3 Ų79.35%0.04742%0.423CS..Hα-helixtrans-63.3-45.2176.7-70.5-65.6000111.8P261 N369 P371 W372 L387 D486 L487 W493 M494P261-Y490 HydrophobicContact CB-CE2 4.01Å; P261-Y490 HydrophobicContact CG-CE2 4.3Å; N369-Y490 VanDerWaalsContact O-CE1 3.27Å; N369-Y490 WeakPolarHBondContact O-CE1 3.46Å; N369-Y490 PolarHBondContact O-OH 3.04Å; P371-Y490 HydrophobicContact CG-CD1 4.11Å; P371-Y490 HydrophobicContact CG-CE1 4.13Å; W372-Y490 HydrophobicContact CH2-CD1 4.45Å; W372-Y490 AromaticContact CH2-CE1 3.97Å; W372-Y490 HydrophobicContact CH2-CE1 3.97Å; W372-Y490 AromaticContact CH2-CZ 3.99Å; W372-Y490 AromaticContact CZ3-CD1 3.96Å; W372-Y490 HydrophobicContact CZ3-CD1 3.96Å; W372-Y490 AromaticContact CZ3-CE1 3.87Å; W372-Y490 HydrophobicContact CZ3-CE1 3.87Å; W372-Y490 HydrophobicContact CZ3-CG 4.48Å; L387-Y490 HydrophobicContact CD1-CD1 4.44Å; L387-Y490 HydrophobicContact CD1-CG 4.36Å; D486-Y490 HydrophobicContact CB-CE2 4.47Å; D486-Y490 WeakPolarHBondContact O-CD2 3.45Å; D486-Y490 PolarHBondContact O-N 3.12Å; D486-Y490 VanDerWaalsContact O-N 3.12Å; L487-Y490 PolarHBondContact O-N 2.88Å; Y490-W493 PolarHBondContact O-N 3.49Å; Y490-M494 WeakPolarHBondContact O-CB 3.42Å; Y490-M494 WeakPolarHBondContact O-CG 3.31Å; Y490-M494 PolarHBondContact O-N 2.67Å
491Q92.3Very high88.3Confident116 Ų11678 Ų7854%0.54242%0.421SS..Hα-helixtrans-61.3-45.8177.5-72177.94.200111.5L487 E488 W493 M494 N495L487-Q491 WeakPolarHBondContact O-CG 3.39Å; L487-Q491 PolarHBondContact O-N 3.22Å; E488-Q491 PolarHBondContact O-N 3.15Å; Q491-W493 VanDerWaalsContact C-N 3.35Å; Q491-W493 PolarHBondContact O-N 3.36Å; Q491-M494 PolarHBondContact O-N 3.06Å; Q491-N495 PolarHBondContact O-N 3.2Å; Q491-N495 PolarHBondContact O-ND2 2.87Å
492K94.2Very high88.2Confident152 Ų15278.8 Ų78.866%0.66142%0.42SS*.Hα-helixtrans-59.2-45.5176.6-175.2178.1179179.50111.9E488 K489 M494 N495 E496E488-K492 WeakPolarHBondContact O-CB 3.36Å; E488-K492 PolarHBondContact O-N 3.19Å; K489-K492 PolarHBondContact O-N 3.4Å; K492-M494 VanDerWaalsContact C-N 3.35Å; K492-N495 PolarHBondContact O-N 3.19Å; K492-E496 PolarHBondContact O-N 3.09Å
493W93Very high88Confident16 Ų1682.3 Ų82.36%0.06144%0.438CS..Hα-helixtrans-64.8-39.4178.1-172.195.8000112V259 P371 R385 K489 Y490 Q491 E496 F497V259-W493 HydrophobicContact CB-CZ3 4.45Å; V259-W493 HydrophobicContact CG1-CH2 4.05Å; V259-W493 HydrophobicContact CG1-CZ3 3.89Å; V259-W493 HydrophobicContact CG2-CE3 4.39Å; V259-W493 HydrophobicContact CG2-CZ3 4.03Å; P371-W493 HydrophobicContact CB-CD2 3.81Å; P371-W493 HydrophobicContact CB-CE3 4.05Å; P371-W493 HydrophobicContact CB-CG 4.41Å; P371-W493 HydrophobicContact CB-CH2 3.94Å; P371-W493 HydrophobicContact CB-CZ2 3.69Å; P371-W493 HydrophobicContact CB-CZ3 4.12Å; P371-W493 HydrophobicContact CG-CD2 3.99Å; P371-W493 HydrophobicContact CG-CE3 4.25Å; P371-W493 HydrophobicContact CG-CG 4.21Å; P371-W493 PolarHBondContact O-NE1 2.81Å; P371-W493 VanDerWaalsContact O-NE1 3.11Å; R385-W493 HydrophobicContact CB-CH2 4.3Å; R385-W493 HydrophobicContact CB-CZ3 4.29Å; R385-W493 HydrophobicContact CG-CH2 4.19Å; K489-W493 WeakPolarHBondContact O-CB 3.4Å; K489-W493 PolarHBondContact O-N 3.15Å; Y490-W493 PolarHBondContact O-N 3.49Å; Q491-W493 VanDerWaalsContact C-N 3.35Å; Q491-W493 PolarHBondContact O-N 3.36Å; W493-E496 PolarHBondContact O-N 3.49Å; W493-F497 AromaticContact CD1-CD2 3.81Å; W493-F497 HydrophobicContact CD2-CB 4.32Å; W493-F497 HydrophobicContact CD2-CD2 4.12Å; W493-F497 AromaticContact CE2-CD2 3.72Å; W493-F497 HydrophobicContact CE3-CB 4.41Å; W493-F497 HydrophobicContact CG-CD2 4.16Å; W493-F497 HydrophobicContact CH2-CB 4.11Å; W493-F497 HydrophobicContact CZ2-CB 4Å; W493-F497 HydrophobicContact CZ2-CD2 4.28Å; W493-F497 HydrophobicContact CZ2-CG 4.47Å; W493-F497 HydrophobicContact CZ3-CB 4.31Å; W493-F497 AromaticContact NE1-CD2 3.55Å; W493-F497 PolarHBondContact O-N 2.96Å
494M91.4Very high87.8Confident34 Ų3484.4 Ų84.417%0.16745%0.445CS..Hα-helixtrans-67.9-34.5176.5-76.3-62.3-62.800113V259 L387 Y490 Q491 K492 E496 G498V259-M494 HydrophobicContact CG2-CG 4.4Å; V259-M494 HydrophobicContact CG2-SD 3.59Å; V259-M494 VanDerWaalsContact CG2-SD 3.59Å; L387-M494 HydrophobicContact CB-CE 3.83Å; L387-M494 HydrophobicContact CB-CG 3.81Å; L387-M494 HydrophobicContact CB-SD 3.91Å; L387-M494 HydrophobicContact CD1-CG 4.27Å; L387-M494 HydrophobicContact CD2-CG 4.03Å; L387-M494 HydrophobicContact CG-CG 4.24Å; Y490-M494 WeakPolarHBondContact O-CB 3.42Å; Y490-M494 WeakPolarHBondContact O-CG 3.31Å; Y490-M494 PolarHBondContact O-N 2.67Å; Q491-M494 PolarHBondContact O-N 3.06Å; K492-M494 VanDerWaalsContact C-N 3.35Å; M494-E496 PolarHBondContact O-N 3.35Å; M494-G498 WeakPolarHBondContact O-CA 3.48Å; M494-G498 PolarHBondContact O-N 3.43Å
495N92Very high87.6Confident146 Ų14679.7 Ų79.778%0.78143%0.426SS*.Hα-helixtrans-65.6-30174.1-68.7-18.5000112.1Q491 K492Q491-N495 PolarHBondContact O-N 3.2Å; Q491-N495 PolarHBondContact O-ND2 2.87Å; K492-N495 PolarHBondContact O-N 3.19Å
496E91.6Very high87.3Confident132 Ų13281 Ų8162%0.61743%0.426SS*.Hα-helixtrans-87.4-38.6179.9-165.5178.5167.200113K492 W493 M494K492-E496 PolarHBondContact O-N 3.09Å; W493-E496 PolarHBondContact O-N 3.49Å; M494-E496 PolarHBondContact O-N 3.35Å
497F89.5Confident87Confident50 Ų5083.4 Ų83.422%0.21944%0.439CS..Hα-helixtrans-129.4-3.9-169.4-57.8-58.1000115.3R385 W493R385-F497 WeakPolarHBondContact CD-O 3.49Å; R385-F497 PolarHBondContact NH1-O 3.01Å; W493-F497 AromaticContact CD1-CD2 3.81Å; W493-F497 HydrophobicContact CD2-CB 4.32Å; W493-F497 HydrophobicContact CD2-CD2 4.12Å; W493-F497 AromaticContact CE2-CD2 3.72Å; W493-F497 HydrophobicContact CE3-CB 4.41Å; W493-F497 HydrophobicContact CG-CD2 4.16Å; W493-F497 HydrophobicContact CH2-CB 4.11Å; W493-F497 HydrophobicContact CZ2-CB 4Å; W493-F497 HydrophobicContact CZ2-CD2 4.28Å; W493-F497 HydrophobicContact CZ2-CG 4.47Å; W493-F497 HydrophobicContact CZ3-CB 4.31Å; W493-F497 AromaticContact NE1-CD2 3.55Å; W493-F497 PolarHBondContact O-N 2.96Å
498G79.3Confident86.7Confident27 Ų2786 Ų8628%0.27845%0.453SS..  trans-61.8140.2176.400000110.9M494M494-G498 WeakPolarHBondContact O-CA 3.48Å; M494-G498 PolarHBondContact O-N 3.43Å
499A69.2Low86.1Confident34 Ų3482.3 Ų82.328%0.28144%0.439SS..  trans-86.1124172.900000108.4K384K384-A499 HydrophobicContact CD-CB 3.75Å; K384-A499 HydrophobicContact CG-CB 4.46Å
500S53.6Low85.4Confident171 Ų17180.9 Ų80.9100%1.19644%0.441SS*.  trans-56.10170.2-54.90000112K384K384-S500 PolarHBondContact NZ-O 2.91Å

Retrieved 500 of 500 residues in 437.4 ms (Link to these results)

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