A0A3Q0KLM9_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 685 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
1M51.3Low71.8Confident158 Ų15868.1 Ų68.178%0.77834%0.338SS*.  0117.60-75.7-58-172.300109.2R6M1-R6 HydrophobicContact CB-CG 3.7Å
2D69.4Low72.1Confident103 Ų10374 Ų7455%0.55136%0.363SS*.  trans-60.1150.1168.6-179.815.8000109.8R4 S5 R6D2-R4 PolarHBondContact O-N 3.49Å; D2-R4 WeakPolarHBondContact OD2-CB 3.45Å; D2-S5 WeakPolarHBondContact O-CB 3.33Å; D2-S5 PolarHBondContact O-N 3.34Å; D2-R6 PolarHBondContact O-N 3.41Å
3A70Confident72.6Confident33 Ų3377.9 Ų77.927%0.27338%0.38SS..Hα-helixtrans-57.7-32.6178.900000111.3L7 L44A3-L7 PolarHBondContact O-N 3.13Å; A3-L7 VanDerWaalsContact O-N 3.14Å; A3-L44 HydrophobicContact CB-CD1 4.02Å
4R72.3Confident72.6Confident148 Ų14877.1 Ų77.156%0.55837%0.374SS*.Hα-helixtrans-61-48.3170.2179.2161-173.8-163.1-0.8112.8D2 L7 V8 L44 I48D2-R4 PolarHBondContact O-N 3.49Å; D2-R4 WeakPolarHBondContact OD2-CB 3.45Å; R4-L7 PolarHBondContact O-N 3.08Å; R4-V8 WeakPolarHBondContact O-CG2 3.47Å; R4-V8 PolarHBondContact O-N 3.25Å; R4-L44 HydrophobicContact CB-CD1 4.33Å; R4-L44 HydrophobicContact CB-CD2 3.9Å; R4-L44 HydrophobicContact CG-CD2 4.34Å; R4-I48 HydrophobicContact CG-CD1 3.89Å
5S75.9Confident72.3Confident52 Ų5276.5 Ų76.536%0.36440%0.395SS..Hα-helixtrans-63.6-42.7-180-530000111.8D2 L7 V8 Q9D2-S5 WeakPolarHBondContact O-CB 3.33Å; D2-S5 PolarHBondContact O-N 3.34Å; S5-L7 PolarHBondContact O-N 3.45Å; S5-V8 PolarHBondContact O-N 3.42Å; S5-Q9 WeakPolarHBondContact O-CB 3.39Å; S5-Q9 PolarHBondContact O-N 3.18Å
6R73.3Confident72Confident89 Ų8971.9 Ų71.934%0.33637%0.373SS..Hα-helixtrans-61.3-44.7176.7-62-167.8-161.3143.63.9112M1 D2 Q9 A10 E31M1-R6 HydrophobicContact CB-CG 3.7Å; D2-R6 PolarHBondContact O-N 3.41Å; R6-Q9 PolarHBondContact O-N 3.06Å; R6-A10 PolarHBondContact O-N 3.5Å; R6-E31 IonicContact CZ-OE1 2.94Å; R6-E31 IonicContact NH1-OE1 2.7Å; R6-E31 PolarHBondContact NH1-OE1 2.93Å; R6-E31 IonicContact NH1-OE2 3.52Å; R6-E31 IonicContact NH2-OE1 3.74Å
7L75.1Confident72Confident10 Ų1076 Ų765%0.05238%0.383CS..Hα-helixtrans-64.4-46.7177.5-83163.5000111.5A3 R4 S5 Q9 A10 F11 I23 L44 I45A3-L7 PolarHBondContact O-N 3.13Å; A3-L7 VanDerWaalsContact O-N 3.14Å; R4-L7 PolarHBondContact O-N 3.08Å; S5-L7 PolarHBondContact O-N 3.45Å; L7-Q9 VanDerWaalsContact C-N 3.31Å; L7-Q9 PolarHBondContact O-N 2.95Å; L7-A10 PolarHBondContact O-N 3.48Å; L7-F11 WeakPolarHBondContact O-CD2 3.46Å; L7-F11 PolarHBondContact O-N 3.28Å; L7-I23 HydrophobicContact CD2-CG2 4.01Å; L7-L44 HydrophobicContact CD1-CD2 3.9Å; L7-I45 HydrophobicContact CD1-CG1 3.82Å; L7-I45 HydrophobicContact CD2-CD1 4.47Å; L7-I45 HydrophobicContact CD2-CG1 4.19Å
8V74.4Confident72.1Confident47 Ų4771.8 Ų71.829%0.28536%0.361SS..Hα-helixtrans-59.9-41.4176.4171.50000111.4R4 S5 F11 H12 I48R4-V8 WeakPolarHBondContact O-CG2 3.47Å; R4-V8 PolarHBondContact O-N 3.25Å; S5-V8 PolarHBondContact O-N 3.42Å; V8-F11 PolarHBondContact O-N 2.92Å; V8-H12 PolarHBondContact O-CD2 3.14Å; V8-H12 PolarHBondContact O-N 3.23Å; V8-I48 HydrophobicContact CG2-CD1 4.14Å; V8-I48 HydrophobicContact CG2-CG2 4.46Å
9Q77.1Confident72.2Confident105 Ų10569.1 Ų69.149%0.49135%0.35SS..Hα-helixtrans-60.3-46.4174.6-174.5172.9-2.400111.7S5 R6 L7 F11 H12 E13S5-Q9 WeakPolarHBondContact O-CB 3.39Å; S5-Q9 PolarHBondContact O-N 3.18Å; R6-Q9 PolarHBondContact O-N 3.06Å; L7-Q9 VanDerWaalsContact C-N 3.31Å; L7-Q9 PolarHBondContact O-N 2.95Å; Q9-F11 VanDerWaalsContact C-N 3.31Å; Q9-F11 PolarHBondContact O-N 3.12Å; Q9-H12 PolarHBondContact O-N 3.22Å; Q9-H12 VanDerWaalsContact O-N 3.1Å; Q9-E13 WeakPolarHBondContact O-CB 3.49Å; Q9-E13 PolarHBondContact O-N 2.98Å
10A75.1Confident72.1Confident2 Ų269.3 Ų69.32%0.01736%0.358CS..Hα-helixtrans-61.3-36.5174.900000112.8R6 L7 E13 F14 F26R6-A10 PolarHBondContact O-N 3.5Å; L7-A10 PolarHBondContact O-N 3.48Å; A10-E13 PolarHBondContact O-N 3.17Å; A10-F14 VanDerWaalsContact O-CD2 3.31Å; A10-F14 WeakPolarHBondContact O-CD2 3.42Å; A10-F14 PolarHBondContact O-N 2.99Å; A10-F26 HydrophobicContact CB-CB 4.26Å; A10-F26 HydrophobicContact CB-CD1 3.62Å; A10-F26 HydrophobicContact CB-CD2 4.28Å; A10-F26 HydrophobicContact CB-CE1 3.98Å; A10-F26 HydrophobicContact CB-CG 3.78Å; A10-F26 HydrophobicContact CB-CZ 4.47Å
11F76.1Confident72.2Confident2 Ų273 Ų731%0.00937%0.374CS..Hα-helixtrans-65.2-36.9173.1-79.7-73.1000112.7L7 V8 Q9 G16 V18 I23 I48 A49 L61 L63L7-F11 WeakPolarHBondContact O-CD2 3.46Å; L7-F11 PolarHBondContact O-N 3.28Å; V8-F11 PolarHBondContact O-N 2.92Å; Q9-F11 VanDerWaalsContact C-N 3.31Å; Q9-F11 PolarHBondContact O-N 3.12Å; F11-G16 WeakPolarHBondContact O-CA 3.3Å; F11-G16 PolarHBondContact O-N 3.35Å; F11-V18 HydrophobicContact CB-CG2 4.42Å; F11-V18 HydrophobicContact CD1-CB 4.28Å; F11-V18 HydrophobicContact CD1-CG2 3.27Å; F11-V18 HydrophobicContact CE1-CB 4.08Å; F11-V18 HydrophobicContact CE1-CG2 3.57Å; F11-V18 HydrophobicContact CG-CG2 3.98Å; F11-V18 HydrophobicContact CZ-CG2 4.49Å; F11-I23 HydrophobicContact CZ-CD1 4.1Å; F11-I48 HydrophobicContact CD2-CG2 4.38Å; F11-I48 HydrophobicContact CE2-CG2 4.3Å; F11-A49 HydrophobicContact CE1-CB 4.12Å; F11-A49 HydrophobicContact CE2-CB 4.35Å; F11-A49 HydrophobicContact CZ-CB 3.67Å; F11-L61 HydrophobicContact CE1-CB 3.83Å; F11-L61 HydrophobicContact CZ-CB 4.02Å; F11-L63 HydrophobicContact CB-CD1 3.93Å; F11-L63 HydrophobicContact CB-CD2 3.62Å; F11-L63 HydrophobicContact CB-CG 3.79Å; F11-L63 HydrophobicContact CD1-CD2 3.89Å; F11-L63 HydrophobicContact CD1-CG 4.05Å; F11-L63 HydrophobicContact CD2-CD2 3.56Å; F11-L63 HydrophobicContact CE2-CD2 4.25Å; F11-L63 HydrophobicContact CG-CD2 3.41Å; F11-L63 VanDerWaalsContact CG-CD2 3.41Å; F11-L63 HydrophobicContact CG-CG 3.88Å
12H75.4Confident73.2Confident139 Ų13968.1 Ų68.164%0.64435%0.349SS*.Hα-helixtrans-70.3-41.6174.2-85.5-81.3000112.3V8 Q9 F14 G15V8-H12 PolarHBondContact O-CD2 3.14Å; V8-H12 PolarHBondContact O-N 3.23Å; Q9-H12 PolarHBondContact O-N 3.22Å; Q9-H12 VanDerWaalsContact O-N 3.1Å; H12-F14 VanDerWaalsContact C-N 3.33Å; H12-F14 PolarHBondContact O-N 3.4Å; H12-G15 PolarHBondContact O-N 2.86Å; H12-G15 VanDerWaalsContact O-N 3.14Å
13E78.3Confident73.5Confident125 Ų12563.7 Ų63.758%0.58433%0.325SS*.Hα-helixtrans-63.3-35.4-177.7-163.8173.6161.200112.8Q9 A10 F26Q9-E13 WeakPolarHBondContact O-CB 3.49Å; Q9-E13 PolarHBondContact O-N 2.98Å; A10-E13 PolarHBondContact O-N 3.17Å; E13-F26 WeakPolarHBondContact OE2-CE1 3.49Å; E13-F26 WeakPolarHBondContact OE2-CZ 3.48Å
14F73.1Confident73.6Confident66 Ų6666.9 Ų66.929%0.28934%0.337SS..THydrogen-bonded Turntrans-95.923.8174.5-63.6-65.5000114.4A10 H12 G16 R17 V18 Q22 F26A10-F14 VanDerWaalsContact O-CD2 3.31Å; A10-F14 WeakPolarHBondContact O-CD2 3.42Å; A10-F14 PolarHBondContact O-N 2.99Å; H12-F14 VanDerWaalsContact C-N 3.33Å; H12-F14 PolarHBondContact O-N 3.4Å; F14-G16 VanDerWaalsContact C-N 3.3Å; F14-G16 PolarHBondContact O-N 3.42Å; F14-R17 PolarHBondContact O-N 2.98Å; F14-V18 HydrophobicContact CB-CG2 4.16Å; F14-V18 HydrophobicContact CD2-CG1 3.79Å; F14-V18 HydrophobicContact CD2-CG2 4.38Å; F14-V18 HydrophobicContact CE2-CG1 4.38Å; F14-V18 HydrophobicContact CG-CG1 4.46Å; F14-Q22 HydrophobicContact CD1-CG 4.35Å; F14-Q22 HydrophobicContact CD2-CB 4.15Å; F14-Q22 HydrophobicContact CD2-CG 4.47Å; F14-Q22 HydrophobicContact CE1-CG 3.97Å; F14-Q22 HydrophobicContact CE2-CB 3.77Å; F14-Q22 HydrophobicContact CE2-CG 4.09Å; F14-Q22 HydrophobicContact CZ-CB 4Å; F14-Q22 HydrophobicContact CZ-CG 3.83Å; F14-F26 HydrophobicContact CE2-CD2 4.08Å; F14-F26 AromaticContact CE2-CE2 3.42Å; F14-F26 HydrophobicContact CE2-CE2 3.42Å; F14-F26 VanDerWaalsContact CE2-CE2 3.42Å; F14-F26 HydrophobicContact CE2-CZ 4.03Å; F14-F26 AromaticContact CZ-CE2 3.76Å; F14-F26 HydrophobicContact CZ-CE2 3.76Å; F14-F26 HydrophobicContact CZ-CZ 4.38Å
15G67.8Low73.6Confident68 Ų6868.3 Ų68.370%0.70135%0.347SS*.THydrogen-bonded Turntrans63.131.8172.100000114.6H12 R17H12-G15 PolarHBondContact O-N 2.86Å; H12-G15 VanDerWaalsContact O-N 3.14Å; G15-R17 VanDerWaalsContact C-N 3.34Å; G15-R17 PolarHBondContact O-N 2.92Å
16G68.1Low73.3Confident4 Ų469 Ų694%0.04134%0.344CS..THydrogen-bonded Turntrans80.70.1173.700000116.2F11 F14 V62F11-G16 WeakPolarHBondContact O-CA 3.3Å; F11-G16 PolarHBondContact O-N 3.35Å; F14-G16 VanDerWaalsContact C-N 3.3Å; F14-G16 PolarHBondContact O-N 3.42Å; G16-V62 WeakPolarHBondContact O-CA 3.36Å
17R70.7Confident73.1Confident141 Ų14165.5 Ų65.553%0.53233%0.332SS..EExtended strand (participates in β ladder)trans-128.1108.3173.6-55.2-171-168.8-170.83.2110.5F14 G15 V62F14-R17 PolarHBondContact O-N 2.98Å; G15-R17 VanDerWaalsContact C-N 3.34Å; G15-R17 PolarHBondContact O-N 2.92Å; R17-V62 HydrophobicContact CB-CG2 4.46Å; R17-V62 HydrophobicContact CG-CG2 4.03Å
18V74Confident72.7Confident0 Ų071.6 Ų71.60%036%0.358CS..EExtended strand (participates in β ladder)trans-114.2128.7-174.7-159.40000110.6F11 F14 Q22 I23 L61F11-V18 HydrophobicContact CB-CG2 4.42Å; F11-V18 HydrophobicContact CD1-CB 4.28Å; F11-V18 HydrophobicContact CD1-CG2 3.27Å; F11-V18 HydrophobicContact CE1-CB 4.08Å; F11-V18 HydrophobicContact CE1-CG2 3.57Å; F11-V18 HydrophobicContact CG-CG2 3.98Å; F11-V18 HydrophobicContact CZ-CG2 4.49Å; F14-V18 HydrophobicContact CB-CG2 4.16Å; F14-V18 HydrophobicContact CD2-CG1 3.79Å; F14-V18 HydrophobicContact CD2-CG2 4.38Å; F14-V18 HydrophobicContact CE2-CG1 4.38Å; F14-V18 HydrophobicContact CG-CG1 4.46Å; V18-Q22 HydrophobicContact CG1-CB 3.47Å; V18-Q22 VanDerWaalsContact CG1-CB 3.47Å; V18-I23 HydrophobicContact CB-CD1 4.31Å; V18-I23 HydrophobicContact CB-CG1 3.99Å; V18-I23 HydrophobicContact CG1-CD1 4.28Å; V18-I23 HydrophobicContact CG1-CG1 3.44Å; V18-I23 VanDerWaalsContact CG1-CG1 3.44Å; V18-L61 PolarHBondContact N-O 3.31Å; V18-L61 PolarHBondContact O-N 3.42Å
19S74Confident72Confident21 Ų2175.4 Ų75.415%0.14738%0.377CS..EExtended strand (participates in β ladder)trans-73.9160.7171.882.30000111.1E21 Q22 I23S19-E21 PolarHBondContact O-N 2.91Å; S19-E21 PolarHBondContact OG-N 3.32Å; S19-Q22 PolarHBondContact O-N 2.87Å; S19-Q22 WeakPolarHBondContact OG-CG 3.33Å; S19-Q22 PolarHBondContact OG-N 3.22Å; S19-Q22 VanDerWaalsContact OG-N 3.15Å; S19-Q22 PolarHBondContact OG-OE1 2.95Å; S19-I23 PolarHBondContact O-N 3.43Å
20S71Confident71.2Confident73 Ų7376.1 Ų76.151%0.5138%0.384SS..Hα-helixtrans-59.6-33.3174.346.40000113L24S20-L24 WeakPolarHBondContact O-CG 3.33Å; S20-L24 PolarHBondContact O-N 3.41Å
21E73.2Confident70.4Confident146 Ų14678.7 Ų78.768%0.68240%0.395SS*.Hα-helixtrans-69.8-37.9177.8-65.7163.3-163.100112S19 L24 K25S19-E21 PolarHBondContact O-N 2.91Å; S19-E21 PolarHBondContact OG-N 3.32Å; E21-L24 PolarHBondContact O-N 2.92Å; E21-K25 PolarHBondContact O-N 2.88Å
22Q74Confident69.6Low56 Ų5680.8 Ų80.826%0.26241%0.406SS..Hα-helixtrans-67.4-42.4177-77.2165.9-30.900111.6F14 V18 S19 L24 K25 F26F14-Q22 HydrophobicContact CD1-CG 4.35Å; F14-Q22 HydrophobicContact CD2-CB 4.15Å; F14-Q22 HydrophobicContact CD2-CG 4.47Å; F14-Q22 HydrophobicContact CE1-CG 3.97Å; F14-Q22 HydrophobicContact CE2-CB 3.77Å; F14-Q22 HydrophobicContact CE2-CG 4.09Å; F14-Q22 HydrophobicContact CZ-CB 4Å; F14-Q22 HydrophobicContact CZ-CG 3.83Å; V18-Q22 HydrophobicContact CG1-CB 3.47Å; V18-Q22 VanDerWaalsContact CG1-CB 3.47Å; S19-Q22 PolarHBondContact O-N 2.87Å; S19-Q22 WeakPolarHBondContact OG-CG 3.33Å; S19-Q22 PolarHBondContact OG-N 3.22Å; S19-Q22 VanDerWaalsContact OG-N 3.15Å; S19-Q22 PolarHBondContact OG-OE1 2.95Å; Q22-L24 VanDerWaalsContact C-N 3.31Å; Q22-L24 PolarHBondContact O-N 3.43Å; Q22-K25 PolarHBondContact O-N 3.33Å; Q22-F26 WeakPolarHBondContact O-CD2 3.35Å
23I74.6Confident68.8Low10 Ų1080.3 Ų80.35%0.05141%0.408CS..Hα-helixtrans-63-38.6176.7-63.2-173.5000111.6L7 F11 V18 S19 K25 F26 I27 I45 L61L7-I23 HydrophobicContact CD2-CG2 4.01Å; F11-I23 HydrophobicContact CZ-CD1 4.1Å; V18-I23 HydrophobicContact CB-CD1 4.31Å; V18-I23 HydrophobicContact CB-CG1 3.99Å; V18-I23 HydrophobicContact CG1-CD1 4.28Å; V18-I23 HydrophobicContact CG1-CG1 3.44Å; V18-I23 VanDerWaalsContact CG1-CG1 3.44Å; S19-I23 PolarHBondContact O-N 3.43Å; I23-K25 PolarHBondContact O-N 2.97Å; I23-F26 PolarHBondContact O-N 2.89Å; I23-I27 HydrophobicContact CG2-CD1 3.6Å; I23-I27 HydrophobicContact CG2-CG1 4.2Å; I23-I27 PolarHBondContact O-N 3Å; I23-I45 HydrophobicContact CG2-CD1 4.36Å; I23-L61 HydrophobicContact CD1-CB 4.22Å; I23-L61 HydrophobicContact CD1-CD1 3.35Å; I23-L61 HydrophobicContact CD1-CG 4.4Å
24L71.5Confident68.3Low101 Ų10178.6 Ų78.653%0.52940%0.403SS..Hα-helixtrans-63.2-25.4178.2-72.4169.7000113S20 E21 Q22 F26 I27 L32S20-L24 WeakPolarHBondContact O-CG 3.33Å; S20-L24 PolarHBondContact O-N 3.41Å; E21-L24 PolarHBondContact O-N 2.92Å; Q22-L24 VanDerWaalsContact C-N 3.31Å; Q22-L24 PolarHBondContact O-N 3.43Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 3.5Å; L24-I27 VanDerWaalsContact O-O 3.09Å; L24-L32 HydrophobicContact CD2-CD1 3.82Å
25K73.1Confident67.9Low177 Ų17785.5 Ų85.577%0.7743%0.427SS*.Hα-helixtrans-71.9-21173-67.4-176.3178.4-174.20114E21 Q22 I23E21-K25 PolarHBondContact O-N 2.88Å; Q22-K25 PolarHBondContact O-N 3.33Å; I23-K25 PolarHBondContact O-N 2.97Å
26F68.9Low67.9Low68 Ų6889 Ų8930%0.29843%0.425SS..Hα-helixtrans-99.5-17.5-177.3-79.5-104.6000113.4A10 E13 F14 Q22 I23 L24A10-F26 HydrophobicContact CB-CB 4.26Å; A10-F26 HydrophobicContact CB-CD1 3.62Å; A10-F26 HydrophobicContact CB-CD2 4.28Å; A10-F26 HydrophobicContact CB-CE1 3.98Å; A10-F26 HydrophobicContact CB-CG 3.78Å; A10-F26 HydrophobicContact CB-CZ 4.47Å; E13-F26 WeakPolarHBondContact OE2-CE1 3.49Å; E13-F26 WeakPolarHBondContact OE2-CZ 3.48Å; F14-F26 HydrophobicContact CE2-CD2 4.08Å; F14-F26 AromaticContact CE2-CE2 3.42Å; F14-F26 HydrophobicContact CE2-CE2 3.42Å; F14-F26 VanDerWaalsContact CE2-CE2 3.42Å; F14-F26 HydrophobicContact CE2-CZ 4.03Å; F14-F26 AromaticContact CZ-CE2 3.76Å; F14-F26 HydrophobicContact CZ-CE2 3.76Å; F14-F26 HydrophobicContact CZ-CZ 4.38Å; Q22-F26 WeakPolarHBondContact O-CD2 3.35Å; I23-F26 PolarHBondContact O-N 2.89Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 3.5Å
27I69.7Low67.9Low15 Ų1591.1 Ų91.18%0.07744%0.437CS..SBendtrans-95.8114.1172.1-56.6171000107.1I23 L24 E31 L32 V41I23-I27 HydrophobicContact CG2-CD1 3.6Å; I23-I27 HydrophobicContact CG2-CG1 4.2Å; I23-I27 PolarHBondContact O-N 3Å; L24-I27 VanDerWaalsContact O-O 3.09Å; I27-E31 HydrophobicContact CG2-CB 3.99Å; I27-L32 HydrophobicContact CG2-CD1 4.14Å; I27-L32 HydrophobicContact CG2-CD2 4.01Å; I27-L32 HydrophobicContact CG2-CG 3.76Å; I27-V41 HydrophobicContact CD1-CG1 3.88Å
28K66.3Low67.9Low138 Ų13888.8 Ų88.860%0.643%0.429SS*.  trans-59140.9174-67-173.8173.1-166.80110D30 E31K28-D30 HydrophobicContact CB-CB 4.5Å; K28-D30 PolarHBondContact O-N 3.45Å; K28-D30 VanDerWaalsContact O-N 3.1Å; K28-E31 PolarHBondContact O-N 3.16Å
29D59.8Low67.9Low127 Ų12796.4 Ų96.468%0.67946%0.458SS*.Hα-helixtrans-54.2-33.2178.8-66.3-57.7000112.5E31 L32 L33D29-E31 VanDerWaalsContact C-N 3.27Å; D29-E31 PolarHBondContact O-N 3.42Å; D29-L32 WeakPolarHBondContact O-CA 3.23Å; D29-L32 PolarHBondContact O-N 2.98Å; D29-L33 PolarHBondContact O-N 3.35Å
30D59.7Low67.8Low120 Ų12098.8 Ų98.864%0.64248%0.475SS*.Hα-helixtrans-51.5-39.7171.8-57.2-36.6000113.6K28 L32K28-D30 HydrophobicContact CB-CB 4.5Å; K28-D30 PolarHBondContact O-N 3.45Å; K28-D30 VanDerWaalsContact O-N 3.1Å; D30-L32 VanDerWaalsContact C-N 3.27Å; D30-L32 PolarHBondContact O-N 2.93Å
31E60.2Low68Low55 Ų5596.2 Ų96.226%0.25746%0.456SS..Hα-helixtrans-76.2-14.3178.9-70.2-178.4-17900112.4R6 I27 K28 D29 T37R6-E31 IonicContact CZ-OE1 2.94Å; R6-E31 IonicContact NH1-OE1 2.7Å; R6-E31 PolarHBondContact NH1-OE1 2.93Å; R6-E31 IonicContact NH1-OE2 3.52Å; R6-E31 IonicContact NH2-OE1 3.74Å; I27-E31 HydrophobicContact CG2-CB 3.99Å; K28-E31 PolarHBondContact O-N 3.16Å; D29-E31 VanDerWaalsContact C-N 3.27Å; D29-E31 PolarHBondContact O-N 3.42Å; E31-T37 WeakPolarHBondContact O-CB 3.37Å; E31-T37 PolarHBondContact O-OG1 2.82Å
32L59.1Low68.2Low46 Ų4695.2 Ų95.224%0.24145%0.45CS..Hα-helixtrans-97.9-15.6179-66.4174.7000114L24 I27 D29 D30 R38L24-L32 HydrophobicContact CD2-CD1 3.82Å; I27-L32 HydrophobicContact CG2-CD1 4.14Å; I27-L32 HydrophobicContact CG2-CD2 4.01Å; I27-L32 HydrophobicContact CG2-CG 3.76Å; D29-L32 WeakPolarHBondContact O-CA 3.23Å; D29-L32 PolarHBondContact O-N 2.98Å; D30-L32 VanDerWaalsContact C-N 3.27Å; D30-L32 PolarHBondContact O-N 2.93Å; L32-R38 HydrophobicContact CD2-CG 4.05Å; L32-R38 WeakPolarHBondContact O-CD 3.45Å; L32-R38 VanDerWaalsContact O-CG 3.3Å; L32-R38 WeakPolarHBondContact O-CG 3.32Å; L32-R38 PolarHBondContact O-NE 3.04Å
33L58.4Low68.6Low130 Ų13099.3 Ų99.368%0.68147%0.467SS*.Hα-helixtrans-59.2-51.9177.3-91.8139.7000112D29 R38D29-L33 PolarHBondContact O-N 3.35Å; L33-R38 PolarHBondContact O-NH2 2.87Å
34N67Low68.8Low88 Ų88100.7 Ų100.747%0.47147%0.474SS..SBendtrans-74.8150.8-173.9-156.6-4.8000112.7T37 R38N34-T37 HydrophobicContact CB-CG2 4.08Å; N34-T37 WeakPolarHBondContact CB-OG1 3.33Å; N34-T37 PolarHBondContact O-OG1 3.25Å; N34-T37 VanDerWaalsContact O-OG1 3.06Å; N34-R38 WeakPolarHBondContact O-CG 3.48Å; N34-R38 PolarHBondContact O-N 3.3Å; N34-R38 PolarHBondContact O-NE 3.39Å; N34-R38 VanDerWaalsContact O-NE 3.12Å
35R65.1Low69.2Low211 Ų21197.3 Ų97.380%0.79646%0.456SS*.Hα-helixtrans-74.8-36.8-177.3-168180-174.3-170.82.5111.5Y39R35-Y39 PolarHBondContact O-N 3.08Å
36E67.7Low69.4Low143 Ų14391.9 Ų91.967%0.66844%0.444SS*.Hα-helixtrans-71.6-45-179.3-64.5172.4162.400111.5R38 Y39 S40E36-R38 VanDerWaalsContact C-N 3.34Å; E36-R38 PolarHBondContact O-N 3.3Å; E36-Y39 PolarHBondContact O-N 3.22Å; E36-S40 PolarHBondContact O-N 3.25Å; E36-S40 PolarHBondContact O-OG 2.96Å
37T68.4Low69.7Low47 Ų4791.8 Ų91.829%0.28845%0.452SS..Hα-helixtrans-60-43.9175.556.90000111.1E31 N34 Y39 S40 V41E31-T37 WeakPolarHBondContact O-CB 3.37Å; E31-T37 PolarHBondContact O-OG1 2.82Å; N34-T37 HydrophobicContact CB-CG2 4.08Å; N34-T37 WeakPolarHBondContact CB-OG1 3.33Å; N34-T37 PolarHBondContact O-OG1 3.25Å; N34-T37 VanDerWaalsContact O-OG1 3.06Å; T37-Y39 VanDerWaalsContact C-N 3.3Å; T37-Y39 PolarHBondContact O-N 3.2Å; T37-S40 PolarHBondContact O-N 3.1Å; T37-V41 WeakPolarHBondContact O-CB 3.35Å; T37-V41 VanDerWaalsContact O-CG2 3.32Å; T37-V41 WeakPolarHBondContact O-CG2 3.47Å; T37-V41 PolarHBondContact O-N 3.46Å
38R69.9Low70Confident93 Ų9392 Ų9235%0.35145%0.453SS..Hα-helixtrans-58.8-35.3172.6-80.9-175.9-78.4-177.7-15113.8L32 L33 N34 E36 K42L32-R38 HydrophobicContact CD2-CG 4.05Å; L32-R38 WeakPolarHBondContact O-CD 3.45Å; L32-R38 VanDerWaalsContact O-CG 3.3Å; L32-R38 WeakPolarHBondContact O-CG 3.32Å; L32-R38 PolarHBondContact O-NE 3.04Å; L33-R38 PolarHBondContact O-NH2 2.87Å; N34-R38 WeakPolarHBondContact O-CG 3.48Å; N34-R38 PolarHBondContact O-N 3.3Å; N34-R38 PolarHBondContact O-NE 3.39Å; N34-R38 VanDerWaalsContact O-NE 3.12Å; E36-R38 VanDerWaalsContact C-N 3.34Å; E36-R38 PolarHBondContact O-N 3.3Å; R38-K42 WeakPolarHBondContact O-CB 3.41Å; R38-K42 WeakPolarHBondContact O-CD 3.49Å; R38-K42 VanDerWaalsContact O-CG 3.23Å; R38-K42 WeakPolarHBondContact O-CG 3.38Å; R38-K42 PolarHBondContact O-N 3.26Å
39Y74.7Confident70.5Confident159 Ų15985.8 Ų85.862%0.62443%0.427SS*.Hα-helixtrans-72.6-45.3175.2-177.7-95.8000111.5R35 E36 T37 K42 K43R35-Y39 PolarHBondContact O-N 3.08Å; E36-Y39 PolarHBondContact O-N 3.22Å; T37-Y39 VanDerWaalsContact C-N 3.3Å; T37-Y39 PolarHBondContact O-N 3.2Å; Y39-K42 PolarHBondContact O-N 3.48Å; Y39-K43 HydrophobicContact CE1-CD 4.35Å; Y39-K43 WeakPolarHBondContact O-CB 3.43Å; Y39-K43 PolarHBondContact O-N 3.17Å
40S72Confident71.3Confident71 Ų7182.2 Ų82.250%0.49741%0.41SS..Hα-helixtrans-58.7-48.9176.4-670000111.9E36 T37 K42 K43 L44E36-S40 PolarHBondContact O-N 3.25Å; E36-S40 PolarHBondContact O-OG 2.96Å; T37-S40 PolarHBondContact O-N 3.1Å; S40-K42 PolarHBondContact O-N 3.15Å; S40-K43 PolarHBondContact O-N 3.35Å; S40-L44 VanDerWaalsContact O-CB 3.31Å; S40-L44 WeakPolarHBondContact O-CB 3.38Å; S40-L44 PolarHBondContact O-N 3.43Å
41V74.4Confident72.2Confident19 Ų1977.3 Ų77.312%0.11539%0.385CS..Hα-helixtrans-59.2-43.9175.4169.80000111.4I27 T37 K43 L44 I45I27-V41 HydrophobicContact CD1-CG1 3.88Å; T37-V41 WeakPolarHBondContact O-CB 3.35Å; T37-V41 VanDerWaalsContact O-CG2 3.32Å; T37-V41 WeakPolarHBondContact O-CG2 3.47Å; T37-V41 PolarHBondContact O-N 3.46Å; V41-K43 PolarHBondContact O-N 3.48Å; V41-L44 PolarHBondContact O-N 3.3Å; V41-I45 HydrophobicContact CG1-CD1 3.75Å; V41-I45 HydrophobicContact CG1-CG1 4.34Å; V41-I45 WeakPolarHBondContact O-CG1 3.07Å; V41-I45 PolarHBondContact O-N 2.68Å
42K78.5Confident73Confident126 Ų12676.9 Ų76.955%0.54838%0.382SS..Hα-helixtrans-61.6-43.7175.7-78.5173.5-178.11800112.5R38 Y39 S40 L44 A46R38-K42 WeakPolarHBondContact O-CB 3.41Å; R38-K42 WeakPolarHBondContact O-CD 3.49Å; R38-K42 VanDerWaalsContact O-CG 3.23Å; R38-K42 WeakPolarHBondContact O-CG 3.38Å; R38-K42 PolarHBondContact O-N 3.26Å; Y39-K42 PolarHBondContact O-N 3.48Å; S40-K42 PolarHBondContact O-N 3.15Å; K42-L44 VanDerWaalsContact C-N 3.28Å; K42-L44 PolarHBondContact O-N 2.94Å; K42-A46 WeakPolarHBondContact O-CB 3.35Å; K42-A46 PolarHBondContact O-N 2.94Å
43K80.7Confident73.8Confident142 Ų14279.2 Ų79.262%0.61739%0.389SS*.Hα-helixtrans-63.6-35.6176.2-172.8177.5178.9-177.80111.5Y39 S40 V41 S47Y39-K43 HydrophobicContact CE1-CD 4.35Å; Y39-K43 WeakPolarHBondContact O-CB 3.43Å; Y39-K43 PolarHBondContact O-N 3.17Å; S40-K43 PolarHBondContact O-N 3.35Å; V41-K43 PolarHBondContact O-N 3.48Å; K43-S47 WeakPolarHBondContact O-CB 3.45Å; K43-S47 PolarHBondContact O-N 2.91Å
44L78.5Confident74.2Confident38 Ų3874.4 Ų74.420%0.19937%0.368CS..Hα-helixtrans-73.4-47.2179.2-149.7160.2000111.5A3 R4 L7 S40 V41 K42 A46 S47 I48A3-L44 HydrophobicContact CB-CD1 4.02Å; R4-L44 HydrophobicContact CB-CD1 4.33Å; R4-L44 HydrophobicContact CB-CD2 3.9Å; R4-L44 HydrophobicContact CG-CD2 4.34Å; L7-L44 HydrophobicContact CD1-CD2 3.9Å; S40-L44 VanDerWaalsContact O-CB 3.31Å; S40-L44 WeakPolarHBondContact O-CB 3.38Å; S40-L44 PolarHBondContact O-N 3.43Å; V41-L44 PolarHBondContact O-N 3.3Å; K42-L44 VanDerWaalsContact C-N 3.28Å; K42-L44 PolarHBondContact O-N 2.94Å; L44-A46 VanDerWaalsContact C-N 3.35Å; L44-A46 PolarHBondContact O-N 3.02Å; L44-S47 PolarHBondContact O-N 3.18Å; L44-S47 VanDerWaalsContact O-N 3.14Å; L44-S47 PolarHBondContact O-OG 3.44Å; L44-I48 HydrophobicContact CD2-CD1 3.42Å; L44-I48 VanDerWaalsContact CD2-CD1 3.42Å; L44-I48 HydrophobicContact CD2-CG1 4.38Å; L44-I48 WeakPolarHBondContact O-CG1 3.29Å; L44-I48 PolarHBondContact O-N 3.12Å
45I80.2Confident74.4Confident30 Ų3075.7 Ų75.715%0.15438%0.384CS..Hα-helixtrans-60.3-45.2173.3-66.2170.1000110.5L7 I23 V41 S47 I48 A49 L61L7-I45 HydrophobicContact CD1-CG1 3.82Å; L7-I45 HydrophobicContact CD2-CD1 4.47Å; L7-I45 HydrophobicContact CD2-CG1 4.19Å; I23-I45 HydrophobicContact CG2-CD1 4.36Å; V41-I45 HydrophobicContact CG1-CD1 3.75Å; V41-I45 HydrophobicContact CG1-CG1 4.34Å; V41-I45 WeakPolarHBondContact O-CG1 3.07Å; V41-I45 PolarHBondContact O-N 2.68Å; I45-S47 PolarHBondContact O-N 3.35Å; I45-I48 PolarHBondContact O-N 3.02Å; I45-I48 VanDerWaalsContact O-N 3.16Å; I45-A49 PolarHBondContact O-N 2.94Å; I45-L61 HydrophobicContact CG2-CD1 4.12Å; I45-L61 HydrophobicContact CG2-CD2 4.08Å
46A78.7Confident74.8Confident64 Ų6470.4 Ų70.453%0.52937%0.371SS..Hα-helixtrans-67.4-19.3177.900000113.8K42 L44 K64K42-A46 WeakPolarHBondContact O-CB 3.35Å; K42-A46 PolarHBondContact O-N 2.94Å; L44-A46 VanDerWaalsContact C-N 3.35Å; L44-A46 PolarHBondContact O-N 3.02Å; A46-K64 WeakPolarHBondContact O-CE 3.41Å; A46-K64 PolarHBondContact O-NZ 3.25Å
47S75.1Confident74.9Confident66 Ų6672.7 Ų72.746%0.46238%0.379SS..Hα-helixtrans-79.5-32.9172.8790000111.8K43 L44 I45 K64K43-S47 WeakPolarHBondContact O-CB 3.45Å; K43-S47 PolarHBondContact O-N 2.91Å; L44-S47 PolarHBondContact O-N 3.18Å; L44-S47 VanDerWaalsContact O-N 3.14Å; L44-S47 PolarHBondContact O-OG 3.44Å; I45-S47 PolarHBondContact O-N 3.35Å; S47-K64 WeakPolarHBondContact O-CD 3.2Å; S47-K64 WeakPolarHBondContact O-CE 3.36Å; S47-K64 PolarHBondContact O-NZ 3.09Å
48I75.3Confident75.1Confident18 Ų1876.6 Ų76.69%0.09239%0.392CS..Hα-helixtrans-94.7-39.3-173.2-63.8174.1000113.9R4 V8 F11 L44 I45 L63 K64R4-I48 HydrophobicContact CG-CD1 3.89Å; V8-I48 HydrophobicContact CG2-CD1 4.14Å; V8-I48 HydrophobicContact CG2-CG2 4.46Å; F11-I48 HydrophobicContact CD2-CG2 4.38Å; F11-I48 HydrophobicContact CE2-CG2 4.3Å; L44-I48 HydrophobicContact CD2-CD1 3.42Å; L44-I48 VanDerWaalsContact CD2-CD1 3.42Å; L44-I48 HydrophobicContact CD2-CG1 4.38Å; L44-I48 WeakPolarHBondContact O-CG1 3.29Å; L44-I48 PolarHBondContact O-N 3.12Å; I45-I48 PolarHBondContact O-N 3.02Å; I45-I48 VanDerWaalsContact O-N 3.16Å; I48-L63 HydrophobicContact CG2-CD2 3.39Å; I48-K64 WeakPolarHBondContact O-CB 3.37Å; I48-K64 WeakPolarHBondContact O-CG 3.35Å; I48-K64 PolarHBondContact O-N 3.03Å
49A77Confident75.2Confident8 Ų876.7 Ų76.77%0.06639%0.392CS..EExtended strand (participates in β ladder)trans-121157.1-166.800000114.2F11 I45 L61 V62F11-A49 HydrophobicContact CE1-CB 4.12Å; F11-A49 HydrophobicContact CE2-CB 4.35Å; F11-A49 HydrophobicContact CZ-CB 3.67Å; I45-A49 PolarHBondContact O-N 2.94Å; A49-L61 HydrophobicContact CB-CB 4.26Å; A49-L61 HydrophobicContact CB-CD2 3.82Å; A49-V62 CarbonylContact C-O 3.5Å; A49-V62 WeakPolarHBondContact CA-O 3.21Å; A49-V62 WeakPolarHBondContact CB-O 3.39Å
50V77.1Confident75.4Confident52 Ų5271.9 Ų71.932%0.31537%0.373SS..EExtended strand (participates in β ladder)trans-113.9152169.7-170.90000108L61 V62 K64 A67V50-L61 CarbonylContact O-C 3.51Å; V50-L61 WeakPolarHBondContact O-CA 3.41Å; V50-V62 PolarHBondContact N-O 3.47Å; V50-V62 PolarHBondContact O-N 3.38Å; V50-K64 HydrophobicContact CG2-CB 4.47Å; V50-K64 HydrophobicContact CG2-CG 3.48Å; V50-K64 VanDerWaalsContact CG2-CG 3.48Å; V50-A67 HydrophobicContact CG2-CB 4.35Å
51V78.7Confident75.8Confident18 Ų1870 Ų7011%0.10936%0.358CS..EExtended strand (participates in β ladder)trans-93.7112.3172.2173.30000110.2Y53 R59 Y60 L61 T526V51-Y53 HydrophobicContact CG1-CE2 4.26Å; V51-R59 HydrophobicContact CG1-CB 3.88Å; V51-R59 HydrophobicContact CG1-CG 3.89Å; V51-Y60 CarbonylContact C-O 3.57Å; V51-Y60 VanDerWaalsContact CA-O 3.29Å; V51-Y60 WeakPolarHBondContact CA-O 3.25Å; V51-L61 HydrophobicContact CG2-CD2 3.46Å; V51-L61 VanDerWaalsContact CG2-CD2 3.46Å; V51-L61 HydrophobicContact CG2-CG 4Å; V51-T526 HydrophobicContact CB-CG2 3.67Å; V51-T526 HydrophobicContact CG2-CG2 3.41Å; V51-T526 VanDerWaalsContact CG2-CG2 3.41Å
52E75.6Confident75.8Confident45 Ų4569.2 Ų69.221%0.2135%0.353CS..EExtended strand (participates in β ladder)trans-86.4145.7166.4-71-172.7179.500110.4Y60 V62 K70E52-Y60 PolarHBondContact N-O 3.27Å; E52-Y60 PolarHBondContact O-N 3.42Å; E52-V62 HydrophobicContact CB-CG2 3.99Å; E52-V62 HydrophobicContact CG-CB 4.18Å; E52-V62 HydrophobicContact CG-CG2 3.77Å; E52-K70 IonicContact OE1-NZ 3.86Å; E52-K70 PolarHBondContact OE1-NZ 3.45Å; E52-K70 IonicContact OE2-NZ 3.96Å; E52-K70 PolarHBondContact OE2-NZ 2.59Å
53Y76.2Confident75.7Confident96 Ų9664 Ų6438%0.37633%0.331SS..EExtended strand (participates in β ladder)trans-102.9121.4170.5-70.9-102.6000108.4V51 R59 Q524V51-Y53 HydrophobicContact CG1-CE2 4.26Å; Y53-R59 HydrophobicContact CD1-CG 3.75Å; Y53-R59 HydrophobicContact CE1-CG 3.51Å; Y53-R59 HydrophobicContact CG-CG 4.39Å; Y53-Q524 HydrophobicContact CD2-CB 4.48Å
54A68.1Low75.3Confident29 Ų2960.7 Ų60.724%0.2432%0.316CS..PPolyproline II helixtrans-77.6164.8172.800000111.5D56 K57 K58 Y60A54-D56 PolarHBondContact O-N 3.35Å; A54-K57 PolarHBondContact O-N 3.07Å; A54-K57 VanDerWaalsContact O-N 3.07Å; A54-K58 PolarHBondContact N-O 3.47Å; A54-Y60 HydrophobicContact CB-CD2 3.93Å; A54-Y60 HydrophobicContact CB-CE2 3.59Å
55S70Confident74.8Confident114 Ų11463.2 Ų63.280%0.79733%0.33SS*.THydrogen-bonded Turntrans-41.4-38.416537.90000113K57S55-K57 PolarHBondContact O-N 3.4Å; S55-K57 VanDerWaalsContact O-N 3.1Å
56D73.1Confident73.9Confident101 Ų10165.3 Ų65.354%0.5434%0.341SS..THydrogen-bonded Turntrans-77.26.7-172-50.310.9000113A54 K58A54-D56 PolarHBondContact O-N 3.35Å; D56-K58 HydrophobicContact CB-CG 4.41Å; D56-K58 PolarHBondContact O-N 2.87Å
57K70.7Confident73.1Confident190 Ų19062.8 Ų62.883%0.82632%0.321SS*.SBendtrans60.53.7-172.5-55.4173.3-177.4171.20114.7A54 S55A54-K57 PolarHBondContact O-N 3.07Å; A54-K57 VanDerWaalsContact O-N 3.07Å; S55-K57 PolarHBondContact O-N 3.4Å; S55-K57 VanDerWaalsContact O-N 3.1Å
58K71.7Confident72.4Confident129 Ų12966.5 Ų66.556%0.56132%0.324SS*.  trans-77146.8172.1-68-179.9-178.8178.30110.7A54 D56 Y60A54-K58 PolarHBondContact N-O 3.47Å; D56-K58 HydrophobicContact CB-CG 4.41Å; D56-K58 PolarHBondContact O-N 2.87Å; K58-Y60 HydrophobicContact CB-CD2 4.5Å; K58-Y60 HydrophobicContact CB-CE2 3.65Å
59R73Confident71.6Confident96 Ų9670 Ų7036%0.36234%0.343SS..EExtended strand (participates in β ladder)trans-100.7130.1179.3-78.2-179.2-84.7-178.6-5.4110.1V51 Y53 T530V51-R59 HydrophobicContact CG1-CB 3.88Å; V51-R59 HydrophobicContact CG1-CG 3.89Å; Y53-R59 HydrophobicContact CD1-CG 3.75Å; Y53-R59 HydrophobicContact CE1-CG 3.51Å; Y53-R59 HydrophobicContact CG-CG 4.39Å; R59-T530 PolarHBondContact NH1-OG1 3.05Å; R59-T530 PolarHBondContact NH2-OG1 2.98Å
60Y79Confident70.9Confident57 Ų5773.8 Ų73.822%0.22436%0.359CS..EExtended strand (participates in β ladder)trans-123.4143.9177.8-63.1-91.7000109.5V51 E52 A54 K58V51-Y60 CarbonylContact C-O 3.57Å; V51-Y60 VanDerWaalsContact CA-O 3.29Å; V51-Y60 WeakPolarHBondContact CA-O 3.25Å; E52-Y60 PolarHBondContact N-O 3.27Å; E52-Y60 PolarHBondContact O-N 3.42Å; A54-Y60 HydrophobicContact CB-CD2 3.93Å; A54-Y60 HydrophobicContact CB-CE2 3.59Å; K58-Y60 HydrophobicContact CB-CD2 4.5Å; K58-Y60 HydrophobicContact CB-CE2 3.65Å
61L79.5Confident70Confident33 Ų3377.9 Ų77.917%0.17337%0.374CS..EExtended strand (participates in β ladder)trans-90.7131.8169.8-77.9155.2000109F11 V18 I23 I45 A49 V50 V51F11-L61 HydrophobicContact CE1-CB 3.83Å; F11-L61 HydrophobicContact CZ-CB 4.02Å; V18-L61 PolarHBondContact N-O 3.31Å; V18-L61 PolarHBondContact O-N 3.42Å; I23-L61 HydrophobicContact CD1-CB 4.22Å; I23-L61 HydrophobicContact CD1-CD1 3.35Å; I23-L61 HydrophobicContact CD1-CG 4.4Å; I45-L61 HydrophobicContact CG2-CD1 4.12Å; I45-L61 HydrophobicContact CG2-CD2 4.08Å; A49-L61 HydrophobicContact CB-CB 4.26Å; A49-L61 HydrophobicContact CB-CD2 3.82Å; V50-L61 CarbonylContact O-C 3.51Å; V50-L61 WeakPolarHBondContact O-CA 3.41Å; V51-L61 HydrophobicContact CG2-CD2 3.46Å; V51-L61 VanDerWaalsContact CG2-CD2 3.46Å; V51-L61 HydrophobicContact CG2-CG 4Å
62V75.5Confident68.8Low2 Ų281.3 Ų81.31%0.01239%0.392CS..EExtended strand (participates in β ladder)trans-128.7137.7-177.4-179.80000108.8G16 R17 A49 V50 E52 K64 L66G16-V62 WeakPolarHBondContact O-CA 3.36Å; R17-V62 HydrophobicContact CB-CG2 4.46Å; R17-V62 HydrophobicContact CG-CG2 4.03Å; A49-V62 CarbonylContact C-O 3.5Å; A49-V62 WeakPolarHBondContact CA-O 3.21Å; A49-V62 WeakPolarHBondContact CB-O 3.39Å; V50-V62 PolarHBondContact N-O 3.47Å; V50-V62 PolarHBondContact O-N 3.38Å; E52-V62 HydrophobicContact CB-CG2 3.99Å; E52-V62 HydrophobicContact CG-CB 4.18Å; E52-V62 HydrophobicContact CG-CG2 3.77Å; V62-K64 PolarHBondContact O-N 2.94Å; V62-L66 HydrophobicContact CG1-CB 4.16Å
63L76Confident67.8Low15 Ų1585 Ų858%0.07941%0.412CS..EExtended strand (participates in β ladder)trans-57.5137.1177.7-65.4176.8000110.7F11 I48 D65 L66 A67F11-L63 HydrophobicContact CB-CD1 3.93Å; F11-L63 HydrophobicContact CB-CD2 3.62Å; F11-L63 HydrophobicContact CB-CG 3.79Å; F11-L63 HydrophobicContact CD1-CD2 3.89Å; F11-L63 HydrophobicContact CD1-CG 4.05Å; F11-L63 HydrophobicContact CD2-CD2 3.56Å; F11-L63 HydrophobicContact CE2-CD2 4.25Å; F11-L63 HydrophobicContact CG-CD2 3.41Å; F11-L63 VanDerWaalsContact CG-CD2 3.41Å; F11-L63 HydrophobicContact CG-CG 3.88Å; I48-L63 HydrophobicContact CG2-CD2 3.39Å; L63-D65 PolarHBondContact O-N 3.31Å; L63-D65 VanDerWaalsContact O-N 3.09Å; L63-L66 HydrophobicContact CB-CB 4.37Å; L63-L66 HydrophobicContact CB-CD1 4.14Å; L63-L66 HydrophobicContact CB-CG 4.29Å; L63-L66 HydrophobicContact CD1-CD1 4.13Å; L63-L66 HydrophobicContact CG-CD1 4.4Å; L63-L66 PolarHBondContact O-N 2.87Å; L63-A67 PolarHBondContact O-N 2.87Å
64K73.1Confident66.7Low73 Ų7383.5 Ų83.532%0.31742%0.42SS..Hα-helixtrans-57.1-25.1175.5-80.6175.9-171.6172.60113.5A46 S47 I48 V50 V62 R68A46-K64 WeakPolarHBondContact O-CE 3.41Å; A46-K64 PolarHBondContact O-NZ 3.25Å; S47-K64 WeakPolarHBondContact O-CD 3.2Å; S47-K64 WeakPolarHBondContact O-CE 3.36Å; S47-K64 PolarHBondContact O-NZ 3.09Å; I48-K64 WeakPolarHBondContact O-CB 3.37Å; I48-K64 WeakPolarHBondContact O-CG 3.35Å; I48-K64 PolarHBondContact O-N 3.03Å; V50-K64 HydrophobicContact CG2-CB 4.47Å; V50-K64 HydrophobicContact CG2-CG 3.48Å; V50-K64 VanDerWaalsContact CG2-CG 3.48Å; V62-K64 PolarHBondContact O-N 2.94Å; K64-R68 VanDerWaalsContact O-CG 3.29Å; K64-R68 WeakPolarHBondContact O-CG 3.47Å; K64-R68 PolarHBondContact O-N 2.92Å; K64-R68 VanDerWaalsContact O-N 3.12Å; K64-R68 PolarHBondContact O-NE 3.27Å
65D67.1Low65.5Low92 Ų9285.2 Ų85.249%0.49243%0.429SS..Hα-helixtrans-74.4-50.6-179.3-55.4-16.9000109.2L63 A67 R68 D69L63-D65 PolarHBondContact O-N 3.31Å; L63-D65 VanDerWaalsContact O-N 3.09Å; D65-A67 VanDerWaalsContact C-N 3.28Å; D65-A67 PolarHBondContact O-N 3.39Å; D65-R68 WeakPolarHBondContact O-CB 3.18Å; D65-R68 PolarHBondContact O-N 3.34Å; D65-R68 VanDerWaalsContact O-N 3.15Å; D65-R68 IonicContact OD1-CZ 2.82Å; D65-R68 IonicContact OD1-NE 3.97Å; D65-R68 IonicContact OD1-NH2 2.65Å; D65-R68 PolarHBondContact OD1-NH2 3.38Å; D65-D69 PolarHBondContact O-N 3.23Å
66L61.5Low64.2Low73 Ų7384.3 Ų84.338%0.38242%0.416SS..Hα-helixtrans-61.1-31.6172.2-68.7171.1000113.7V62 L63V62-L66 HydrophobicContact CG1-CB 4.16Å; L63-L66 HydrophobicContact CB-CB 4.37Å; L63-L66 HydrophobicContact CB-CD1 4.14Å; L63-L66 HydrophobicContact CB-CG 4.29Å; L63-L66 HydrophobicContact CD1-CD1 4.13Å; L63-L66 HydrophobicContact CG-CD1 4.4Å; L63-L66 PolarHBondContact O-N 2.87Å
67A61.8Low62.4Low12 Ų1285.7 Ų85.710%0.09942%0.42CS..Hα-helixtrans-69.1-42.1175.100000111.8V50 L63 D65 D69 K70 E71V50-A67 HydrophobicContact CG2-CB 4.35Å; L63-A67 PolarHBondContact O-N 2.87Å; D65-A67 VanDerWaalsContact C-N 3.28Å; D65-A67 PolarHBondContact O-N 3.39Å; A67-D69 VanDerWaalsContact C-N 3.33Å; A67-D69 PolarHBondContact O-N 2.91Å; A67-K70 PolarHBondContact O-N 3.08Å; A67-E71 PolarHBondContact O-N 3.31Å
68R59.6Low60.9Low143 Ų14380.2 Ų80.254%0.5441%0.405SS..Hα-helixtrans-60.8-40.3177.9-80.3-175.5-78171.2-7112.3K64 D65 K70 E71 N72K64-R68 VanDerWaalsContact O-CG 3.29Å; K64-R68 WeakPolarHBondContact O-CG 3.47Å; K64-R68 PolarHBondContact O-N 2.92Å; K64-R68 VanDerWaalsContact O-N 3.12Å; K64-R68 PolarHBondContact O-NE 3.27Å; D65-R68 WeakPolarHBondContact O-CB 3.18Å; D65-R68 PolarHBondContact O-N 3.34Å; D65-R68 VanDerWaalsContact O-N 3.15Å; D65-R68 IonicContact OD1-CZ 2.82Å; D65-R68 IonicContact OD1-NE 3.97Å; D65-R68 IonicContact OD1-NH2 2.65Å; D65-R68 PolarHBondContact OD1-NH2 3.38Å; R68-K70 PolarHBondContact O-N 2.91Å; R68-E71 PolarHBondContact O-N 2.97Å; R68-N72 WeakPolarHBondContact O-CB 3.46Å; R68-N72 PolarHBondContact O-N 3.02Å; R68-N72 PolarHBondContact O-ND2 3.08Å; R68-N72 VanDerWaalsContact O-ND2 3.16Å
69D59.9Low59.3Low92 Ų9279.9 Ų79.949%0.49241%0.405SS..Hα-helixtrans-64.9-40.8-179.3-64.7-24.6000112.2D65 A67 E71 N72 L73D65-D69 PolarHBondContact O-N 3.23Å; A67-D69 VanDerWaalsContact C-N 3.33Å; A67-D69 PolarHBondContact O-N 2.91Å; D69-E71 PolarHBondContact O-N 3.12Å; D69-N72 PolarHBondContact O-N 3.31Å; D69-L73 WeakPolarHBondContact O-CD1 3.41Å; D69-L73 PolarHBondContact O-N 2.89Å; D69-L73 VanDerWaalsContact O-N 3.09Å
70K61.7Low57.6Low88 Ų8877.9 Ų77.938%0.38341%0.406SS..Hα-helixtrans-61.6-43.3173.7-65.4178.6-168.2168.90112.4E52 A67 R68 L73 A74E52-K70 IonicContact OE1-NZ 3.86Å; E52-K70 PolarHBondContact OE1-NZ 3.45Å; E52-K70 IonicContact OE2-NZ 3.96Å; E52-K70 PolarHBondContact OE2-NZ 2.59Å; A67-K70 PolarHBondContact O-N 3.08Å; R68-K70 PolarHBondContact O-N 2.91Å; K70-L73 PolarHBondContact O-N 3.38Å; K70-A74 PolarHBondContact O-N 2.99Å; K70-A74 VanDerWaalsContact O-N 3.11Å
71E58.5Low55.7Low137 Ų13779.8 Ų79.864%0.6442%0.424SS*.Hα-helixtrans-67.2-38179.8-70.5-177.1164.600111.8A67 R68 D69 A74 C75A67-E71 PolarHBondContact O-N 3.31Å; R68-E71 PolarHBondContact O-N 2.97Å; D69-E71 PolarHBondContact O-N 3.12Å; E71-A74 PolarHBondContact O-N 2.98Å; E71-C75 PolarHBondContact O-N 3.16Å
72N53.9Low53.8Low91 Ų9185.1 Ų85.149%0.48745%0.448SS..Hα-helixtrans-63.8-43.6175.1-70.9-29.6000112.1R68 D69 A74 C75 N76R68-N72 WeakPolarHBondContact O-CB 3.46Å; R68-N72 PolarHBondContact O-N 3.02Å; R68-N72 PolarHBondContact O-ND2 3.08Å; R68-N72 VanDerWaalsContact O-ND2 3.16Å; D69-N72 PolarHBondContact O-N 3.31Å; N72-A74 PolarHBondContact O-N 3.06Å; N72-C75 PolarHBondContact O-N 3.37Å; N72-N76 VanDerWaalsContact O-CG 3.31Å; N72-N76 PolarHBondContact O-N 3.04Å; N72-N76 VanDerWaalsContact O-N 3.08Å
73L53.1Low51.9Low122 Ų12290.2 Ų90.264%0.63948%0.479SS*.Hα-helixtrans-60.9-43.2173.7-92.383.6000112D69 K70 C75 N76 M77D69-L73 WeakPolarHBondContact O-CD1 3.41Å; D69-L73 PolarHBondContact O-N 2.89Å; D69-L73 VanDerWaalsContact O-N 3.09Å; K70-L73 PolarHBondContact O-N 3.38Å; L73-C75 VanDerWaalsContact C-N 3.34Å; L73-C75 PolarHBondContact O-N 3Å; L73-N76 PolarHBondContact O-N 3.1Å; L73-M77 WeakPolarHBondContact O-CG 3.39Å; L73-M77 PolarHBondContact O-N 3Å; L73-M77 VanDerWaalsContact O-N 3.12Å
74A53.6Low49.9Very low64 Ų6496 Ų9653%0.52951%0.509SS..Hα-helixtrans-64.5-37.3178.600000112.6K70 E71 N72 C78K70-A74 PolarHBondContact O-N 2.99Å; K70-A74 VanDerWaalsContact O-N 3.11Å; E71-A74 PolarHBondContact O-N 2.98Å; N72-A74 PolarHBondContact O-N 3.06Å; A74-C78 PolarHBondContact O-N 3.18Å
75C43.9Very low47.9Very low65 Ų6598.4 Ų98.444%0.43953%0.53SS..Hα-helixtrans-68.1-43.1177.6-154.50000111.8E71 N72 L73 C78 Q79E71-C75 PolarHBondContact O-N 3.16Å; N72-C75 PolarHBondContact O-N 3.37Å; L73-C75 VanDerWaalsContact C-N 3.34Å; L73-C75 PolarHBondContact O-N 3Å; C75-C78 PolarHBondContact O-N 3.24Å; C75-Q79 WeakPolarHBondContact O-CG 3.37Å; C75-Q79 PolarHBondContact O-N 3.21Å
76N43.1Very low46.2Very low96 Ų9698.5 Ų98.551%0.51354%0.538SS..Hα-helixtrans-63-45178.7-69.5-11.9000111.9N72 L73 C78 Q79 S80N72-N76 VanDerWaalsContact O-CG 3.31Å; N72-N76 PolarHBondContact O-N 3.04Å; N72-N76 VanDerWaalsContact O-N 3.08Å; L73-N76 PolarHBondContact O-N 3.1Å; N76-C78 VanDerWaalsContact C-N 3.26Å; N76-C78 PolarHBondContact O-N 3.01Å; N76-Q79 PolarHBondContact O-N 3.45Å; N76-Q79 VanDerWaalsContact O-N 3.15Å; N76-S80 PolarHBondContact O-N 2.79Å; N76-S80 PolarHBondContact O-OG 3.39Å
77M34.5Very low44.9Very low130 Ų130104.2 Ų104.264%0.6456%0.562SS**Hα-helixtrans-59.1-34.5177-72.5-82.590.800113.5L73 T81L73-M77 WeakPolarHBondContact O-CG 3.39Å; L73-M77 PolarHBondContact O-N 3Å; L73-M77 VanDerWaalsContact O-N 3.12Å; M77-T81 PolarHBondContact O-N 3.07Å; M77-T81 PolarHBondContact O-OG1 3.16Å
78C38.7Very low43.4Very low74 Ų74109 Ų10950%0.560%0.595SS.*Hα-helixtrans-78.2-25.2-179.9-149.80000113A74 C75 N76 T81 Q82A74-C78 PolarHBondContact O-N 3.18Å; C75-C78 PolarHBondContact O-N 3.24Å; N76-C78 VanDerWaalsContact C-N 3.26Å; N76-C78 PolarHBondContact O-N 3.01Å; C78-T81 PolarHBondContact O-OG1 2.86Å; C78-Q82 PolarHBondContact O-NE2 2.89Å
79Q38.6Very low42Very low122 Ų122107.2 Ų107.257%0.5760%0.604SS**Hα-helixtrans-80.9-41.5173.2-67.1177.732.100111.4C75 N76 T81 Q82 T83C75-Q79 WeakPolarHBondContact O-CG 3.37Å; C75-Q79 PolarHBondContact O-N 3.21Å; N76-Q79 PolarHBondContact O-N 3.45Å; N76-Q79 VanDerWaalsContact O-N 3.15Å; Q79-T81 PolarHBondContact O-N 2.89Å; Q79-Q82 PolarHBondContact O-N 2.7Å; Q79-T83 PolarHBondContact O-OG1 3.34Å
80S37Very low40.6Very low54 Ų54111 Ų11138%0.37862%0.62SS.*Hα-helixtrans-61.2-29.5177.2-55.80000113.8N76 T83 I84N76-S80 PolarHBondContact O-N 2.79Å; N76-S80 PolarHBondContact O-OG 3.39Å; S80-T83 PolarHBondContact O-OG1 3.41Å; S80-I84 VanDerWaalsContact O-CD1 3.28Å; S80-I84 WeakPolarHBondContact O-CD1 3.31Å; S80-I84 WeakPolarHBondContact O-CG1 3.46Å
81T38.3Very low39.1Very low98 Ų98112.8 Ų112.860%0.60163%0.633SS**THydrogen-bonded Turntrans-82.8-11.718036.80000114M77 C78 Q79M77-T81 PolarHBondContact O-N 3.07Å; M77-T81 PolarHBondContact O-OG1 3.16Å; C78-T81 PolarHBondContact O-OG1 2.86Å; Q79-T81 PolarHBondContact O-N 2.89Å
82Q40.5Very low37.8Very low144 Ų144113.9 Ų113.967%0.67364%0.638SS**THydrogen-bonded Turntrans-98-9.5177.4-66.8-17929.200113.5C78 Q79C78-Q82 PolarHBondContact O-NE2 2.89Å; Q79-Q82 PolarHBondContact O-N 2.7Å
83T34.7Very low36.7Very low109 Ų109116.3 Ų116.367%0.66965%0.651SS**SBendtrans-101.7-0.7-179.634.90000115Q79 S80Q79-T83 PolarHBondContact O-OG1 3.34Å; S80-T83 PolarHBondContact O-OG1 3.41Å
84I34.1Very low35.6Very low136 Ų136116.9 Ų116.970%0.69766%0.659SS**SBendtrans-104.9-6.3-173.8-63.8175000112.9S80S80-I84 VanDerWaalsContact O-CD1 3.28Å; S80-I84 WeakPolarHBondContact O-CD1 3.31Å; S80-I84 WeakPolarHBondContact O-CG1 3.46Å
85T31.5Very low34.6Very low124 Ų124118.8 Ų118.876%0.76167%0.667SS**SBendtrans-114.440.5-176.8400000113.9
86S32.6Very low33.8Very low94 Ų94124.8 Ų124.866%0.65769%0.685SS**SBendtrans-157.941.2172.849.40000114.4
87Q33Very low33.1Very low193 Ų193125.1 Ų125.190%0.90270%0.695SS**  trans-149.5115.6158.1-115.7154.766.400110.3
88S30.7Very low32.7Very low112 Ų112123.9 Ų123.978%0.78370%0.699SS**  trans-71.6141-178.244.50000111.9E90S88-E90 PolarHBondContact O-N 3.24Å
89S29.4Very low32.4Very low106 Ų106128.6 Ų128.674%0.74172%0.717SS**  trans-32.4126.515147.90000113.7
90E30.5Very low31.9Very low173 Ų173129.9 Ų129.981%0.80873%0.728SS**  -170.8126.8106.7-99.8177.416700113.9S88S88-E90 PolarHBondContact O-N 3.24Å
91N30.5Very low31.5Very low125 Ų125131.9 Ų131.967%0.66874%0.742SS**  trans51.3102.7143.9-61.9-28000123.7
92Q31.7Very low31.1Very low160 Ų160131.9 Ų131.975%0.74875%0.746SS**  67.2134.4117.8-64.4-169.426.400122.8
93N30.8Very low30.8Very low141 Ų141133.2 Ų133.275%0.75475%0.752SS**  trans81.791.6150.7-59.7-20000120.8
94V29.2Very low30.5Very low134 Ų134135.2 Ų135.281%0.81275%0.753SS**  trans-29.2152135.3-124.20000112.6
95P32.4Very low30.3Very low105 Ų105131.9 Ų131.968%0.68274%0.742SS**  cis-149.6173.427.943.4-22.8000120.3
96K28.2Very low30.4Very low191 Ų191134.4 Ų134.483%0.8375%0.745SS**  trans53.1128.6145.1-74.9175.7179.3179.40121.9
97S27.6Very low30.3Very low102 Ų102134.6 Ų134.671%0.71375%0.747SS**  trans59.2106.4145.855.90000120.1
98S26.6Very low30.3Very low105 Ų105129.2 Ų129.273%0.73474%0.736SS**  trans14.7118.9130.257.40000118.8
99I31.9Very low30.5Very low172 Ų172132.8 Ų132.888%0.88274%0.737SS**  -162.5160.7106.7-95.3154.2000110.2
100L29Very low30.5Very low150 Ų150132.9 Ų132.979%0.78574%0.737SS**  trans-73.6161-163-166.768.7000115.9
101S28.1Very low31Very low96 Ų96130.1 Ų130.167%0.67174%0.735SS**  trans67.6151151.248.40000119.9
102S30Very low31.1Very low98 Ų98130.4 Ų130.469%0.68574%0.74SS**  cis-173.7161.6-18.7-91.50000107.9
103Q34.9Very low31Very low171 Ų171126.6 Ų126.680%0.79974%0.736SS**  trans64.4166.3169.4-61.5179.8-81.200115.2
104E28.4Very low31.1Very low151 Ų151128.4 Ų128.471%0.70674%0.74SS**  cis-168.1167.1-32.3-100.3-163.470.900107.2
105S29.2Very low31.1Very low67 Ų67129.7 Ų129.747%0.46974%0.739SS.*  cis-162.8179.2-26.652.40000108.1
106Q34.8Very low31.2Very low176 Ų176131.2 Ų131.282%0.82275%0.747SS**  trans71.7150.3161.3-66166.871.400118.4
107S30Very low31.4Very low98 Ų98128 Ų12869%0.68575%0.745SS**  cis-167.7166.6-16.459.30000111.5
108A32.3Very low31.7Very low81 Ų81129 Ų12967%0.66975%0.749SS**  trans63141.9147.900000119.3
109K34.5Very low31.9Very low187 Ų187129.8 Ų129.881%0.81376%0.755SS**  cis-157.11284.3-103.1152-171.81740106
110S30.6Very low31.9Very low107 Ų107127.2 Ų127.275%0.74875%0.752SS**  80.9149.787.287.50000114.5
111P39.6Very low32.1Very low116 Ų116126.3 Ų126.375%0.75376%0.755SS**  trans-125.5-166.1-137.740.6-25.4000114.5
112V32.8Very low32.2Very low130 Ų130130 Ų13079%0.78876%0.762SS**  trans156124.9131.4160.90000113
113A31.2Very low32.1Very low80 Ų80132 Ų13266%0.66176%0.764SS**  trans53.5160.6153.200000120.1
114H31.6Very low32.1Very low179 Ų179131.9 Ų131.983%0.82977%0.767SS**  cis-140176.717.6-120.8-79.8000112.9
115M28.8Very low32.1Very low162 Ų162129.5 Ų129.580%0.79877%0.765SS**  trans-75.9144.3-172.1-47.6175.676.900114.2
116T36Very low32.2Very low136 Ų136132.3 Ų132.383%0.83478%0.78SS**  171.1147.3118.431.80000111.3
117P32.1Very low32.2Very low123 Ų123130.5 Ų130.580%0.79978%0.78SS**  trans-99.3153.4-179.137.4-32.7000113.2
118P33.5Very low32.2Very low123 Ų123129.9 Ų129.980%0.79978%0.781SS**  trans-123.5142.9155.634-21.6000114.4
119S31.4Very low32.3Very low122 Ų122134.3 Ų134.385%0.85379%0.792SS**  trans-37151.9170.6-48.70000118.4
120S31Very low32Very low119 Ų119131.3 Ų131.383%0.83279%0.789SS**  trans-59.6154177.4-28.20000115.6
121P32.9Very low32.2Very low130 Ų130132.5 Ų132.584%0.84479%0.792SS**  trans-105.2164.1151.335.1-26.9000112.8
122Q29.8Very low31.6Very low173 Ų173132.3 Ų132.381%0.80879%0.791SS**  trans-103.7154.3-167.7-91-174.8-12.800115
123L28.8Very low31.3Very low142 Ų142131.2 Ų131.274%0.74380%0.796SS**  trans56.7119.6139.6-65.7166.5000121.2
124I34.4Very low31.3Very low167 Ų167133 Ų13386%0.85680%0.799SS**  trans-134.9132.6139.5-55.2-179.9000107.9
125P29.7Very low31.1Very low102 Ų102130.1 Ų130.166%0.66280%0.799SS**  trans-102-161.4-177.440.6-36.4000113.3
126T31.3Very low31.3Very low126 Ų126128.1 Ų128.177%0.77380%0.795SS**  trans87.9129.4174.7-22.40000112.6
127T35Very low31.1Very low137 Ų137129 Ų12984%0.8480%0.795SS**  cis-146.317013.2-18.70000112.3
128A28.4Very low31.1Very low85 Ų85129.6 Ų129.670%0.70280%0.796SS**  trans-81.3150.7-16900000116.9
129I34.2Very low30.9Very low174 Ų174127.4 Ų127.489%0.89279%0.788SS**  trans-128.1130.7146.6-63.2-178.3000108.4
130T28.8Very low30.8Very low124 Ų124126.5 Ų126.576%0.76179%0.788SS**  trans-88.4134.3-171.9-53.80000112.4
131T34.3Very low31Very low132 Ų132126.8 Ų126.881%0.8178%0.784SS**  trans-176.1160.1143.619.20000110.6
132P27.9Very low30.9Very low113 Ų113131.3 Ų131.373%0.73479%0.785SS**  trans-87.6149.3-140.532.5-37.9000116.4T134P132-T134 PolarHBondContact O-N 3.09Å
133A25.4Very low31.1Very low106 Ų106128.8 Ų128.888%0.87678%0.783SS**  trans-63.3127.7172.100000112.1
134T32.3Very low31.4Very low119 Ų119124.5 Ų124.573%0.7377%0.765SS**  trans-124.7107.4161.2-61.70000108.5P132 V136P132-T134 PolarHBondContact O-N 3.09Å; T134-V136 HydrophobicContact CG2-CG2 4.37Å; T134-V136 PolarHBondContact O-N 3.31Å
135S28.1Very low31.7Very low118 Ų118120.2 Ų120.283%0.82575%0.747SS**  trans-72.992.6176.641.50000110.5N137S135-N137 PolarHBondContact O-N 2.99Å
136V33Very low32Very low120 Ų120122.6 Ų122.673%0.72774%0.743SS**  trans-75.395.5177.5-167.80000109.6T134 V138T134-V136 HydrophobicContact CG2-CG2 4.37Å; T134-V136 PolarHBondContact O-N 3.31Å; V136-V138 PolarHBondContact O-N 3.3Å; V136-V138 VanDerWaalsContact O-N 3.12Å
137N31.2Very low32.1Very low153 Ų153119.7 Ų119.782%0.81873%0.729SS**  trans-68105.1177.4-152.7-3.7000109.3S135 A139S135-N137 PolarHBondContact O-N 2.99Å; N137-A139 PolarHBondContact O-N 3.08Å
138V31.8Very low32.2Very low137 Ų137120.2 Ų120.283%0.8373%0.732SS**  trans-76.270.6-176.6-1730000110.3V136V136-V138 PolarHBondContact O-N 3.3Å; V136-V138 VanDerWaalsContact O-N 3.12Å
139A29.6Very low32.8Very low76 Ų76125 Ų12563%0.62874%0.737SS**  trans-67.4132.1175.300000110.5N137 V141N137-A139 PolarHBondContact O-N 3.08Å; A139-V141 PolarHBondContact O-N 3.07Å
140A29.1Very low33.7Very low103 Ų103120.3 Ų120.385%0.85172%0.717SS**  trans-62.894.4-169.400000113.8R142A140-R142 PolarHBondContact O-N 3.18Å; A140-R142 VanDerWaalsContact O-N 3.08Å
141V34.6Very low35.3Very low125 Ų125116.3 Ų116.376%0.75869%0.694SS**  trans-68.3105.2170.6-178.50000109A139 P143A139-V141 PolarHBondContact O-N 3.07Å; V141-P143 WeakPolarHBondContact O-CD 3.25Å
142R31.9Very low37.3Very low225 Ų225115.9 Ų115.985%0.84969%0.687SS**  trans-58.4120.9166.5-76.6-179.7169.2-175.2-3.1108.6A140 S144A140-R142 PolarHBondContact O-N 3.18Å; A140-R142 VanDerWaalsContact O-N 3.08Å; R142-S144 VanDerWaalsContact C-N 3.34Å; R142-S144 PolarHBondContact O-N 2.86Å
143P34.1Very low39.6Very low120 Ų120113.7 Ų113.778%0.77967%0.667SS**  trans-69.698.8168.829.2-31.3000106.8V141V141-P143 WeakPolarHBondContact O-CD 3.25Å
144S34.4Very low42.2Very low52 Ų52109.4 Ų109.436%0.36463%0.629SS.*  trans-65.1149.8170.8-175.40000109.4R142 N521 P522R142-S144 VanDerWaalsContact C-N 3.34Å; R142-S144 PolarHBondContact O-N 2.86Å; S144-N521 WeakPolarHBondContact CB-O 3.37Å; S144-N521 PolarHBondContact OG-O 3.11Å; S144-P522 VanDerWaalsContact CB-CD 3.48Å; S144-P522 WeakPolarHBondContact O-CD 3.31Å; S144-P522 WeakPolarHBondContact O-CG 3.42Å
145V41.3Very low44.5Very low78 Ų78111.4 Ų111.447%0.47362%0.624SS.*SBendtrans-76.3145.7-178.2-164.70000107.4
146Y35.1Very low47.2Very low151 Ų151109.9 Ų109.959%0.59261%0.606SS**  trans76.157.4178-35.9-72000116.4
147S33.4Very low49.7Very low66 Ų66104.2 Ų104.246%0.46257%0.571SS.*  trans-82.7137151175.80000109.8F149S147-F149 PolarHBondContact O-N 2.86Å; S147-F149 VanDerWaalsContact O-N 3.17Å
148T38Very low52.2Low147 Ų14799.6 Ų99.690%0.90254%0.542SS*.SBendtrans-79.513.2-174.849.30000114.4
149F40.8Very low54.7Low185 Ų18597.4 Ų97.481%0.81152%0.524SS*.  trans-11378.1172.2-161.2-91.3000109.2S147 S151S147-F149 PolarHBondContact O-N 2.86Å; S147-F149 VanDerWaalsContact O-N 3.17Å; F149-S151 PolarHBondContact O-N 3.3Å
150T51.8Low57.4Low77 Ų7794 Ų9447%0.47250%0.496SS..  trans-71.1112.7172.856.30000108.7T154T150-T154 HydrophobicContact CG2-CG2 3.78Å
151S64.1Low60.1Low40 Ų4089.3 Ų89.328%0.2846%0.457SS..  trans-45144.6159.6164.70000108.9F149 E153 T154 R155F149-S151 PolarHBondContact O-N 3.3Å; S151-E153 PolarHBondContact O-N 2.85Å; S151-E153 VanDerWaalsContact O-N 3.07Å; S151-E153 WeakPolarHBondContact OG-CB 3.45Å; S151-E153 WeakPolarHBondContact OG-CG 3.44Å; S151-E153 PolarHBondContact OG-N 3.22Å; S151-E153 PolarHBondContact OG-OE2 3.19Å; S151-T154 WeakPolarHBondContact O-CA 3.45Å; S151-T154 VanDerWaalsContact O-CB 3.25Å; S151-T154 WeakPolarHBondContact O-CB 3.4Å; S151-T154 PolarHBondContact O-N 3.01Å; S151-R155 PolarHBondContact O-N 3.47Å; S151-R155 VanDerWaalsContact O-N 3.08Å
152N75.4Confident62.4Low123 Ų12386.1 Ų86.166%0.65844%0.435SS*.Hα-helixtrans-52.2-33.7174.6-79.4-36.4000111.1R155 L156N152-R155 PolarHBondContact O-N 3.32Å; N152-L156 WeakPolarHBondContact O-CB 3.43Å; N152-L156 WeakPolarHBondContact O-CG 3.4Å; N152-L156 PolarHBondContact O-N 2.82Å
153E76.6Confident64.9Low67 Ų6778.2 Ų78.231%0.31341%0.409SS..Hα-helixtrans-63.2-41.4174.3-50.6163.4116.300112.6S151 L156 W157 I175 N176S151-E153 PolarHBondContact O-N 2.85Å; S151-E153 VanDerWaalsContact O-N 3.07Å; S151-E153 WeakPolarHBondContact OG-CB 3.45Å; S151-E153 WeakPolarHBondContact OG-CG 3.44Å; S151-E153 PolarHBondContact OG-N 3.22Å; S151-E153 PolarHBondContact OG-OE2 3.19Å; E153-L156 PolarHBondContact O-N 3.35Å; E153-W157 VanDerWaalsContact O-CB 3.31Å; E153-W157 WeakPolarHBondContact O-CB 3.41Å; E153-W157 PolarHBondContact O-N 2.92Å; E153-I175 WeakPolarHBondContact OE1-CG2 3.21Å; E153-N176 VanDerWaalsContact CD-ND2 3.29Å; E153-N176 PolarHBondContact OE1-ND2 2.89Å; E153-N176 PolarHBondContact OE2-ND2 2.98Å
154T79Confident67.1Low15 Ų1573.2 Ų73.29%0.09238%0.377CS..Hα-helixtrans-60.7-49174-67.90000109.8T150 S151 L156 W157 W158 W182T150-T154 HydrophobicContact CG2-CG2 3.78Å; S151-T154 WeakPolarHBondContact O-CA 3.45Å; S151-T154 VanDerWaalsContact O-CB 3.25Å; S151-T154 WeakPolarHBondContact O-CB 3.4Å; S151-T154 PolarHBondContact O-N 3.01Å; T154-L156 PolarHBondContact O-N 3.33Å; T154-W157 WeakPolarHBondContact O-CB 3.46Å; T154-W157 PolarHBondContact O-N 3.38Å; T154-W158 PolarHBondContact O-N 3.1Å; T154-W182 HydrophobicContact CG2-CE3 4.37Å; T154-W182 HydrophobicContact CG2-CH2 3.49Å; T154-W182 VanDerWaalsContact CG2-CH2 3.49Å; T154-W182 HydrophobicContact CG2-CZ3 3.31Å; T154-W182 WeakPolarHBondContact OG1-CH2 3.48Å
155R82.2Confident69.5Low162 Ų16276.8 Ų76.861%0.61138%0.383SS*.Hα-helixtrans-61-45.6178.6-177.2178.4175.2-172.7-2111.3S151 N152 W157 W158 M159S151-R155 PolarHBondContact O-N 3.47Å; S151-R155 VanDerWaalsContact O-N 3.08Å; N152-R155 PolarHBondContact O-N 3.32Å; R155-W157 VanDerWaalsContact C-N 3.29Å; R155-W157 PolarHBondContact O-N 3.3Å; R155-W158 PolarHBondContact O-N 2.87Å; R155-M159 WeakPolarHBondContact O-CG 3.27Å; R155-M159 PolarHBondContact O-N 3.43Å
156L83.5Confident71.6Confident86 Ų8675.4 Ų75.445%0.4537%0.374SS..Hα-helixtrans-59.9-38.5175.3-71.8167.7000111.9N152 E153 T154 M159 A160 L172N152-L156 WeakPolarHBondContact O-CB 3.43Å; N152-L156 WeakPolarHBondContact O-CG 3.4Å; N152-L156 PolarHBondContact O-N 2.82Å; E153-L156 PolarHBondContact O-N 3.35Å; T154-L156 PolarHBondContact O-N 3.33Å; L156-M159 PolarHBondContact O-N 3.34Å; L156-A160 WeakPolarHBondContact O-CB 3.41Å; L156-A160 PolarHBondContact O-N 2.82Å; L156-L172 HydrophobicContact CB-CD1 4Å; L156-L172 HydrophobicContact CB-CD2 4.05Å
157W85.8Confident74Confident1 Ų172 Ų720%0.00438%0.377CS..Hα-helixtrans-62.3-47.4174.7175.3-114.7000112.1E153 T154 R155 M159 A160 V161 M169 L172 L173 L179 A185 L201E153-W157 VanDerWaalsContact O-CB 3.31Å; E153-W157 WeakPolarHBondContact O-CB 3.41Å; E153-W157 PolarHBondContact O-N 2.92Å; T154-W157 WeakPolarHBondContact O-CB 3.46Å; T154-W157 PolarHBondContact O-N 3.38Å; R155-W157 VanDerWaalsContact C-N 3.29Å; R155-W157 PolarHBondContact O-N 3.3Å; W157-M159 VanDerWaalsContact C-N 3.32Å; W157-M159 PolarHBondContact O-N 3.05Å; W157-A160 PolarHBondContact O-N 3Å; W157-V161 HydrophobicContact CD2-CG2 3.8Å; W157-V161 HydrophobicContact CE3-CG2 4.17Å; W157-V161 HydrophobicContact CG-CG2 4.35Å; W157-V161 HydrophobicContact CH2-CG2 4.1Å; W157-V161 HydrophobicContact CZ2-CG2 3.73Å; W157-V161 HydrophobicContact CZ3-CG2 4.3Å; W157-V161 VanDerWaalsContact O-CB 3.27Å; W157-V161 WeakPolarHBondContact O-CB 3.31Å; W157-V161 VanDerWaalsContact O-CG2 3.24Å; W157-V161 WeakPolarHBondContact O-CG2 3.47Å; W157-V161 PolarHBondContact O-N 2.99Å; W157-M169 HydrophobicContact CE3-CG 4.43Å; W157-M169 HydrophobicContact CH2-CB 4.46Å; W157-M169 HydrophobicContact CH2-CE 3.55Å; W157-M169 HydrophobicContact CH2-CG 4.45Å; W157-M169 HydrophobicContact CZ2-CE 4.29Å; W157-M169 HydrophobicContact CZ3-CB 3.78Å; W157-M169 HydrophobicContact CZ3-CE 3.94Å; W157-M169 HydrophobicContact CZ3-CG 3.85Å; W157-L172 HydrophobicContact CB-CD1 4.35Å; W157-L172 HydrophobicContact CE3-CB 4.17Å; W157-L172 HydrophobicContact CE3-CD1 4.37Å; W157-L173 HydrophobicContact CH2-CD1 3.71Å; W157-L173 HydrophobicContact CH2-CD2 3.76Å; W157-L173 HydrophobicContact CH2-CG 3.73Å; W157-L173 HydrophobicContact CZ2-CD2 4.4Å; W157-L173 HydrophobicContact CZ3-CD1 3.83Å; W157-L173 HydrophobicContact CZ3-CD2 3.99Å; W157-L173 HydrophobicContact CZ3-CG 3.58Å; W157-L179 HydrophobicContact CB-CD1 4.08Å; W157-L179 HydrophobicContact CB-CD2 4.07Å; W157-L179 HydrophobicContact CD2-CB 3.79Å; W157-L179 HydrophobicContact CD2-CD1 4.28Å; W157-L179 HydrophobicContact CD2-CG 4.42Å; W157-L179 HydrophobicContact CE3-CB 4.23Å; W157-L179 HydrophobicContact CE3-CD1 4.4Å; W157-L179 HydrophobicContact CG-CB 4.05Å; W157-L179 HydrophobicContact CG-CD1 4.16Å; W157-L179 HydrophobicContact CG-CD2 3.89Å; W157-L179 HydrophobicContact CG-CG 4.26Å; W157-L179 HydrophobicContact CZ2-CB 4.15Å; W157-L179 VanDerWaalsContact CZ2-O 3.25Å; W157-L179 WeakPolarHBondContact CZ2-O 3.36Å; W157-L179 PolarHBondContact NE1-O 2.98Å; W157-A185 HydrophobicContact CH2-CB 4.47Å; W157-A185 HydrophobicContact CZ2-CB 3.59Å; W157-L201 HydrophobicContact CH2-CD2 3.94Å; W157-L201 HydrophobicContact CZ2-CD2 4.25Å
158W83.1Confident76.5Confident56 Ų5671.3 Ų71.321%0.21237%0.368CS..Hα-helixtrans-59.9-41.4175.4-72.8102.5000112.1T154 R155 I162 W182 T184 Y188T154-W158 PolarHBondContact O-N 3.1Å; R155-W158 PolarHBondContact O-N 2.87Å; W158-I162 WeakPolarHBondContact O-CB 3.19Å; W158-I162 WeakPolarHBondContact O-CD1 3.24Å; W158-I162 WeakPolarHBondContact O-CG1 3.38Å; W158-I162 PolarHBondContact O-N 2.99Å; W158-W182 HydrophobicContact CZ2-CE3 4.33Å; W158-W182 AromaticContact NE1-CE3 3.97Å; W158-W182 AromaticContact NE1-CZ3 3.82Å; W158-T184 HydrophobicContact CH2-CG2 3.67Å; W158-T184 WeakPolarHBondContact CH2-OG1 3.25Å; W158-T184 HydrophobicContact CZ3-CG2 3.69Å; W158-T184 VanDerWaalsContact CZ3-OG1 3.27Å; W158-T184 WeakPolarHBondContact CZ3-OG1 3.41Å; W158-Y188 HydrophobicContact CE3-CE2 4.24Å; W158-Y188 AromaticContact CZ3-CE2 3.91Å; W158-Y188 HydrophobicContact CZ3-CE2 3.91Å
159M84.5Confident78.8Confident91 Ų9164.4 Ų64.445%0.44833%0.326SS..Hα-helixtrans-64.9-47.1175.9-60.2-64.59000111.7R155 L156 W157 V161 I162 D163R155-M159 WeakPolarHBondContact O-CG 3.27Å; R155-M159 PolarHBondContact O-N 3.43Å; L156-M159 PolarHBondContact O-N 3.34Å; W157-M159 VanDerWaalsContact C-N 3.32Å; W157-M159 PolarHBondContact O-N 3.05Å; M159-V161 VanDerWaalsContact C-N 3.31Å; M159-V161 PolarHBondContact O-N 3.41Å; M159-I162 HydrophobicContact CE-CD1 4.12Å; M159-I162 PolarHBondContact O-N 3.47Å; M159-D163 WeakPolarHBondContact O-CB 3.27Å; M159-D163 PolarHBondContact O-N 3.28Å
160A86Confident80.8Confident4 Ų461.4 Ų61.43%0.03331%0.313CS..Hα-helixtrans-63-35.8178.600000112.9L156 W157 C164 R165 D168 M169 L172L156-A160 WeakPolarHBondContact O-CB 3.41Å; L156-A160 PolarHBondContact O-N 2.82Å; W157-A160 PolarHBondContact O-N 3Å; A160-C164 CarbonylContact O-C 3.55Å; A160-C164 WeakPolarHBondContact O-CA 3.37Å; A160-C164 PolarHBondContact O-N 3.21Å; A160-C164 VanDerWaalsContact O-N 3.08Å; A160-R165 PolarHBondContact O-N 3.13Å; A160-D168 HydrophobicContact CB-CB 3.72Å; A160-M169 HydrophobicContact CB-CG 3.91Å; A160-L172 HydrophobicContact CB-CD1 3.97Å
161V86.1Confident82.4Confident4 Ų464.4 Ų64.42%0.02432%0.315CS..Hα-helixtrans-69.9-44.6174.9162.30000112.1W157 M159 C164 M169 A185 Y188W157-V161 HydrophobicContact CD2-CG2 3.8Å; W157-V161 HydrophobicContact CE3-CG2 4.17Å; W157-V161 HydrophobicContact CG-CG2 4.35Å; W157-V161 HydrophobicContact CH2-CG2 4.1Å; W157-V161 HydrophobicContact CZ2-CG2 3.73Å; W157-V161 HydrophobicContact CZ3-CG2 4.3Å; W157-V161 VanDerWaalsContact O-CB 3.27Å; W157-V161 WeakPolarHBondContact O-CB 3.31Å; W157-V161 VanDerWaalsContact O-CG2 3.24Å; W157-V161 WeakPolarHBondContact O-CG2 3.47Å; W157-V161 PolarHBondContact O-N 2.99Å; M159-V161 VanDerWaalsContact C-N 3.31Å; M159-V161 PolarHBondContact O-N 3.41Å; V161-C164 PolarHBondContact O-N 3.03Å; V161-C164 PolarHBondContact O-SG 2.96Å; V161-C164 VanDerWaalsContact O-SG 3.39Å; V161-M169 HydrophobicContact CG2-CE 3.88Å; V161-M169 HydrophobicContact CG2-SD 4.31Å; V161-A185 HydrophobicContact CG1-CB 4.35Å; V161-A185 HydrophobicContact CG2-CB 3.92Å; V161-Y188 HydrophobicContact CG1-CD2 3.59Å; V161-Y188 HydrophobicContact CG1-CG 3.94Å
162I84Confident83.4Confident59 Ų5962.7 Ų62.730%0.30330%0.303SS..Hα-helixtrans-67.4-45.8-179.4-72.2165.7000110.1W158 M159 C164 Y188 F192W158-I162 WeakPolarHBondContact O-CB 3.19Å; W158-I162 WeakPolarHBondContact O-CD1 3.24Å; W158-I162 WeakPolarHBondContact O-CG1 3.38Å; W158-I162 PolarHBondContact O-N 2.99Å; M159-I162 HydrophobicContact CE-CD1 4.12Å; M159-I162 PolarHBondContact O-N 3.47Å; I162-C164 PolarHBondContact O-N 2.83Å; I162-Y188 HydrophobicContact CG1-CD1 4.38Å; I162-Y188 HydrophobicContact CG1-CE1 4.21Å; I162-F192 WeakPolarHBondContact O-CE2 3.31Å
163D83.1Confident83.7Confident58 Ų5857 Ų5731%0.3127%0.272SS..THydrogen-bonded Turntrans-75.3-2.3175.7-67.85.7000113M159 R165M159-D163 WeakPolarHBondContact O-CB 3.27Å; M159-D163 PolarHBondContact O-N 3.28Å; D163-R165 HydrophobicContact CB-CG 3.7Å; D163-R165 PolarHBondContact O-N 2.96Å; D163-R165 IonicContact OD2-CZ 2.64Å; D163-R165 IonicContact OD2-NE 3.69Å; D163-R165 PolarHBondContact OD2-NE 3.42Å; D163-R165 IonicContact OD2-NH2 3.65Å; D163-R165 PolarHBondContact OD2-NH2 3.47Å
164C81.4Confident83.9Confident16 Ų1656.7 Ų56.711%0.10829%0.288CS..THydrogen-bonded Turntrans49.138.1-176.2-64.10000114.6A160 V161 I162 V166 F192 N194 C197A160-C164 CarbonylContact O-C 3.55Å; A160-C164 WeakPolarHBondContact O-CA 3.37Å; A160-C164 PolarHBondContact O-N 3.21Å; A160-C164 VanDerWaalsContact O-N 3.08Å; V161-C164 PolarHBondContact O-N 3.03Å; V161-C164 PolarHBondContact O-SG 2.96Å; V161-C164 VanDerWaalsContact O-SG 3.39Å; I162-C164 PolarHBondContact O-N 2.83Å; C164-V166 PolarHBondContact O-N 2.84Å; C164-V166 VanDerWaalsContact O-N 3.09Å; C164-F192 WeakPolarHBondContact SG-CD2 3.46Å; C164-N194 HydrophobicContact CB-CB 4.15Å; C164-N194 WeakPolarHBondContact CB-ND2 3.24Å; C164-N194 PolarHBondContact O-ND2 3.19Å; C164-C197 PolarHBondContact O-SG 3.45Å; C164-C197 VanDerWaalsContact O-SG 3.35Å
165R84.7Confident84Confident126 Ų12660.3 Ų60.348%0.47531%0.306SS..  trans-80.690-178.5-63.1-179.7-163.7-162.55.5110.6A160 D163 A167 D168 M169A160-R165 PolarHBondContact O-N 3.13Å; D163-R165 HydrophobicContact CB-CG 3.7Å; D163-R165 PolarHBondContact O-N 2.96Å; D163-R165 IonicContact OD2-CZ 2.64Å; D163-R165 IonicContact OD2-NE 3.69Å; D163-R165 PolarHBondContact OD2-NE 3.42Å; D163-R165 IonicContact OD2-NH2 3.65Å; D163-R165 PolarHBondContact OD2-NH2 3.47Å; R165-A167 PolarHBondContact O-N 2.77Å; R165-A167 VanDerWaalsContact O-N 3.12Å; R165-D168 HydrophobicContact CB-CB 4Å; R165-D168 WeakPolarHBondContact CD-OD2 3.25Å; R165-D168 IonicContact NH1-OD2 3.18Å; R165-D168 PolarHBondContact O-N 3.09Å; R165-D168 VanDerWaalsContact O-N 3.12Å; R165-M169 WeakPolarHBondContact O-CG 3.43Å; R165-M169 PolarHBondContact O-N 3.43Å
166V85.2Confident83.8Confident49 Ų4955.2 Ų55.230%0.29729%0.29SS..Hα-helixtrans-48.7-41.1-179.6-175.30000112.7C164 K170 N196 L200C164-V166 PolarHBondContact O-N 2.84Å; C164-V166 VanDerWaalsContact O-N 3.09Å; V166-K170 WeakPolarHBondContact O-CB 3.49Å; V166-K170 PolarHBondContact O-N 3.2Å; V166-N196 HydrophobicContact CG2-CB 4.04Å; V166-L200 HydrophobicContact CG1-CD1 3.63Å
167A86.2Confident83.5Confident79 Ų7954.8 Ų54.865%0.65329%0.293SS*.Hα-helixtrans-66.5-47.8179.800000113.1R165 K170 R171R165-A167 PolarHBondContact O-N 2.77Å; R165-A167 VanDerWaalsContact O-N 3.12Å; A167-K170 PolarHBondContact O-N 3.22Å; A167-R171 PolarHBondContact O-N 3.21Å
168D85.1Confident83Confident52 Ų5262.5 Ų62.528%0.27833%0.326SS..Hα-helixtrans-65.2-40.4176.5-74.3-44.4000111.2A160 R165 R171 L172A160-D168 HydrophobicContact CB-CB 3.72Å; R165-D168 HydrophobicContact CB-CB 4Å; R165-D168 WeakPolarHBondContact CD-OD2 3.25Å; R165-D168 IonicContact NH1-OD2 3.18Å; R165-D168 PolarHBondContact O-N 3.09Å; R165-D168 VanDerWaalsContact O-N 3.12Å; D168-R171 PolarHBondContact O-N 2.9Å; D168-L172 WeakPolarHBondContact O-CB 3.5Å; D168-L172 VanDerWaalsContact O-CG 3.25Å; D168-L172 WeakPolarHBondContact O-CG 3.46Å; D168-L172 PolarHBondContact O-N 2.87Å
169M85.5Confident82.6Confident3 Ų360.2 Ų60.22%0.01532%0.318CS..Hα-helixtrans-59.2-47.3173.3-70-179.869.500111.5W157 A160 V161 R165 R171 L172 L173 C197 L201W157-M169 HydrophobicContact CE3-CG 4.43Å; W157-M169 HydrophobicContact CH2-CB 4.46Å; W157-M169 HydrophobicContact CH2-CE 3.55Å; W157-M169 HydrophobicContact CH2-CG 4.45Å; W157-M169 HydrophobicContact CZ2-CE 4.29Å; W157-M169 HydrophobicContact CZ3-CB 3.78Å; W157-M169 HydrophobicContact CZ3-CE 3.94Å; W157-M169 HydrophobicContact CZ3-CG 3.85Å; A160-M169 HydrophobicContact CB-CG 3.91Å; V161-M169 HydrophobicContact CG2-CE 3.88Å; V161-M169 HydrophobicContact CG2-SD 4.31Å; R165-M169 WeakPolarHBondContact O-CG 3.43Å; R165-M169 PolarHBondContact O-N 3.43Å; M169-R171 VanDerWaalsContact C-N 3.35Å; M169-R171 PolarHBondContact O-N 2.94Å; M169-L172 PolarHBondContact O-N 3.23Å; M169-L173 VanDerWaalsContact O-CB 3.3Å; M169-L173 WeakPolarHBondContact O-CB 3.21Å; M169-L173 WeakPolarHBondContact O-CD1 3.28Å; M169-L173 WeakPolarHBondContact O-CG 3.48Å; M169-L173 PolarHBondContact O-N 3.41Å; M169-C197 HydrophobicContact SD-CB 4.44Å; M169-L201 HydrophobicContact CE-CD1 4.04Å; M169-L201 HydrophobicContact CE-CD2 3.97Å; M169-L201 HydrophobicContact CE-CG 4.05Å
170K84.7Confident82Confident122 Ų12256.2 Ų56.253%0.5330%0.3SS..Hα-helixtrans-59.8-44.1177.5-165.8179.5-178.9-174.30111.7V166 A167 L173 G174 L200V166-K170 WeakPolarHBondContact O-CB 3.49Å; V166-K170 PolarHBondContact O-N 3.2Å; A167-K170 PolarHBondContact O-N 3.22Å; K170-L173 PolarHBondContact O-N 3.34Å; K170-G174 PolarHBondContact O-N 2.99Å; K170-L200 HydrophobicContact CB-CD1 3.92Å; K170-L200 HydrophobicContact CG-CD1 4.28Å
171R85Confident81Confident139 Ų13960.8 Ų60.853%0.52532%0.324SS..Hα-helixtrans-62.3-46.9177.5-171.3178.867.985-1.4111.8A167 D168 M169 G174 I175A167-R171 PolarHBondContact O-N 3.21Å; D168-R171 PolarHBondContact O-N 2.9Å; M169-R171 VanDerWaalsContact C-N 3.35Å; M169-R171 PolarHBondContact O-N 2.94Å; R171-G174 PolarHBondContact O-N 3.43Å; R171-I175 WeakPolarHBondContact O-CG1 3.44Å; R171-I175 PolarHBondContact O-N 2.82Å
172L84Confident80.2Confident5 Ų565.1 Ų65.13%0.02634%0.34CS..Hα-helixtrans-68.5-34.8-180-69.1168000112.6L156 W157 A160 D168 M169 I175 N176 L179L156-L172 HydrophobicContact CB-CD1 4Å; L156-L172 HydrophobicContact CB-CD2 4.05Å; W157-L172 HydrophobicContact CB-CD1 4.35Å; W157-L172 HydrophobicContact CE3-CB 4.17Å; W157-L172 HydrophobicContact CE3-CD1 4.37Å; A160-L172 HydrophobicContact CB-CD1 3.97Å; D168-L172 WeakPolarHBondContact O-CB 3.5Å; D168-L172 VanDerWaalsContact O-CG 3.25Å; D168-L172 WeakPolarHBondContact O-CG 3.46Å; D168-L172 PolarHBondContact O-N 2.87Å; M169-L172 PolarHBondContact O-N 3.23Å; L172-I175 PolarHBondContact O-N 2.97Å; L172-N176 PolarHBondContact O-N 2.83Å; L172-L179 HydrophobicContact CB-CD1 4.31Å
173L82.3Confident79.3Confident2 Ų263.7 Ų63.71%0.0134%0.336CS..Hα-helixtrans-72.9-27.3174.8-73.4166.9000113.6W157 M169 K170 I175 N176 P177 L179 A180 L200 L201 Y205W157-L173 HydrophobicContact CH2-CD1 3.71Å; W157-L173 HydrophobicContact CH2-CD2 3.76Å; W157-L173 HydrophobicContact CH2-CG 3.73Å; W157-L173 HydrophobicContact CZ2-CD2 4.4Å; W157-L173 HydrophobicContact CZ3-CD1 3.83Å; W157-L173 HydrophobicContact CZ3-CD2 3.99Å; W157-L173 HydrophobicContact CZ3-CG 3.58Å; M169-L173 VanDerWaalsContact O-CB 3.3Å; M169-L173 WeakPolarHBondContact O-CB 3.21Å; M169-L173 WeakPolarHBondContact O-CD1 3.28Å; M169-L173 WeakPolarHBondContact O-CG 3.48Å; M169-L173 PolarHBondContact O-N 3.41Å; K170-L173 PolarHBondContact O-N 3.34Å; L173-I175 VanDerWaalsContact C-N 3.33Å; L173-N176 CarbonylContact O-C 3.6Å; L173-P177 WeakPolarHBondContact O-CA 3.3Å; L173-L179 HydrophobicContact CD2-CB 4.02Å; L173-A180 HydrophobicContact CD2-CB 3.62Å; L173-A180 VanDerWaalsContact CD2-N 3.31Å; L173-L200 HydrophobicContact CD1-CD2 3.42Å; L173-L200 VanDerWaalsContact CD1-CD2 3.42Å; L173-L201 HydrophobicContact CD1-CD2 4.43Å; L173-Y205 HydrophobicContact CB-CD1 4.25Å; L173-Y205 HydrophobicContact CB-CE1 3.61Å; L173-Y205 HydrophobicContact CB-CE2 4.01Å; L173-Y205 VanDerWaalsContact CB-CZ 3.46Å; L173-Y205 HydrophobicContact CD1-CD2 3.76Å; L173-Y205 HydrophobicContact CD1-CE1 4.45Å; L173-Y205 HydrophobicContact CD1-CE2 3.69Å; L173-Y205 HydrophobicContact CD1-CG 4.18Å; L173-Y205 HydrophobicContact CD2-CD1 4.34Å; L173-Y205 HydrophobicContact CG-CE1 4.42Å; L173-Y205 HydrophobicContact CG-CE2 4.44Å
174G80.8Confident79.1Confident62 Ų6261.9 Ų61.964%0.63933%0.327SS*.Hα-helixtrans-65.9-3516900000112.7K170 R171K170-G174 PolarHBondContact O-N 2.99Å; R171-G174 PolarHBondContact O-N 3.43Å
175I80.9Confident79.3Confident91 Ų9161.1 Ų61.147%0.46732%0.323SS..Hα-helixtrans-75.7-47.5174.1-59164.1000110.3E153 R171 L172 L173E153-I175 WeakPolarHBondContact OE1-CG2 3.21Å; R171-I175 WeakPolarHBondContact O-CG1 3.44Å; R171-I175 PolarHBondContact O-N 2.82Å; L172-I175 PolarHBondContact O-N 2.97Å; L173-I175 VanDerWaalsContact C-N 3.33Å
176N78Confident79.5Confident54 Ų5455.4 Ų55.429%0.28930%0.301SS..  trans-137.787.1-171.5-94.1-55000111.5E153 L172 L173 K178 L179E153-N176 VanDerWaalsContact CD-ND2 3.29Å; E153-N176 PolarHBondContact OE1-ND2 2.89Å; E153-N176 PolarHBondContact OE2-ND2 2.98Å; L172-N176 PolarHBondContact O-N 2.83Å; L173-N176 CarbonylContact O-C 3.6Å; N176-K178 PolarHBondContact O-N 3.37Å; N176-K178 VanDerWaalsContact O-N 3.11Å; N176-L179 HydrophobicContact CB-CD1 3.68Å; N176-L179 HydrophobicContact CB-CG 3.95Å; N176-L179 WeakPolarHBondContact O-CB 3.48Å; N176-L179 WeakPolarHBondContact O-CG 3.24Å; N176-L179 PolarHBondContact O-N 3.17Å; N176-L179 VanDerWaalsContact O-N 3.09Å
177P76.4Confident79.6Confident77 Ų7753.8 Ų53.850%0.529%0.29SS..G310 helixtrans-64.5-21.8-176.624.9-34.8000113.2L173 L179 A180L173-P177 WeakPolarHBondContact O-CA 3.3Å; P177-L179 PolarHBondContact O-N 2.82Å; P177-L179 VanDerWaalsContact O-N 3.14Å; P177-A180 PolarHBondContact O-N 3.19Å
178K75.4Confident79.7Confident164 Ų16453 Ų5371%0.71327%0.271SS*.G310 helixtrans-59.2-23.1175.1-69.1178-179.1170.30112.9N176 A180 N181N176-K178 PolarHBondContact O-N 3.37Å; N176-K178 VanDerWaalsContact O-N 3.11Å; K178-A180 VanDerWaalsContact C-N 3.28Å; K178-A180 PolarHBondContact O-N 3.09Å; K178-N181 PolarHBondContact O-N 3.42Å
179L76Confident79.9Confident7 Ų750.7 Ų50.74%0.03726%0.259CS..G310 helixtrans-63-29179-67.2168.7000113W157 L172 L173 N176 P177 N181 W182W157-L179 HydrophobicContact CB-CD1 4.08Å; W157-L179 HydrophobicContact CB-CD2 4.07Å; W157-L179 HydrophobicContact CD2-CB 3.79Å; W157-L179 HydrophobicContact CD2-CD1 4.28Å; W157-L179 HydrophobicContact CD2-CG 4.42Å; W157-L179 HydrophobicContact CE3-CB 4.23Å; W157-L179 HydrophobicContact CE3-CD1 4.4Å; W157-L179 HydrophobicContact CG-CB 4.05Å; W157-L179 HydrophobicContact CG-CD1 4.16Å; W157-L179 HydrophobicContact CG-CD2 3.89Å; W157-L179 HydrophobicContact CG-CG 4.26Å; W157-L179 HydrophobicContact CZ2-CB 4.15Å; W157-L179 VanDerWaalsContact CZ2-O 3.25Å; W157-L179 WeakPolarHBondContact CZ2-O 3.36Å; W157-L179 PolarHBondContact NE1-O 2.98Å; L172-L179 HydrophobicContact CB-CD1 4.31Å; L173-L179 HydrophobicContact CD2-CB 4.02Å; N176-L179 HydrophobicContact CB-CD1 3.68Å; N176-L179 HydrophobicContact CB-CG 3.95Å; N176-L179 WeakPolarHBondContact O-CB 3.48Å; N176-L179 WeakPolarHBondContact O-CG 3.24Å; N176-L179 PolarHBondContact O-N 3.17Å; N176-L179 VanDerWaalsContact O-N 3.09Å; P177-L179 PolarHBondContact O-N 2.82Å; P177-L179 VanDerWaalsContact O-N 3.14Å; L179-N181 PolarHBondContact O-N 3.21Å; L179-W182 HydrophobicContact CD2-CD2 4.22Å; L179-W182 HydrophobicContact CD2-CZ2 4.17Å; L179-W182 VanDerWaalsContact O-CB 3.29Å; L179-W182 WeakPolarHBondContact O-CB 3.48Å; L179-W182 PolarHBondContact O-N 2.95Å
180A70.5Confident80.2Confident7 Ų750.5 Ų50.56%0.05826%0.258CS..G310 helixtrans-60.8-34.5177.300000112.8L173 P177 K178 W182 L201 Y205L173-A180 HydrophobicContact CD2-CB 3.62Å; L173-A180 VanDerWaalsContact CD2-N 3.31Å; P177-A180 PolarHBondContact O-N 3.19Å; K178-A180 VanDerWaalsContact C-N 3.28Å; K178-A180 PolarHBondContact O-N 3.09Å; A180-W182 PolarHBondContact O-N 2.74Å; A180-L201 HydrophobicContact CB-CD2 4.21Å; A180-Y205 HydrophobicContact CB-CG 4.29Å
181N65.5Low80.4Confident101 Ų10146.6 Ų46.654%0.5424%0.241SC..G310 helixtrans-80-1.5179.1-74.4-32.1000113.5K178 L179 A183K178-N181 PolarHBondContact O-N 3.42Å; L179-N181 PolarHBondContact O-N 3.21Å; N181-A183 PolarHBondContact O-N 3.45Å
182W69.2Low80.6Confident95 Ų9544.6 Ų44.636%0.3624%0.236SC..SBendtrans-72.3103.2174-70.637.8000107.6T154 W158 L179 A180 T184 A185T154-W182 HydrophobicContact CG2-CE3 4.37Å; T154-W182 HydrophobicContact CG2-CH2 3.49Å; T154-W182 VanDerWaalsContact CG2-CH2 3.49Å; T154-W182 HydrophobicContact CG2-CZ3 3.31Å; T154-W182 WeakPolarHBondContact OG1-CH2 3.48Å; W158-W182 HydrophobicContact CZ2-CE3 4.33Å; W158-W182 AromaticContact NE1-CE3 3.97Å; W158-W182 AromaticContact NE1-CZ3 3.82Å; L179-W182 HydrophobicContact CD2-CD2 4.22Å; L179-W182 HydrophobicContact CD2-CZ2 4.17Å; L179-W182 VanDerWaalsContact O-CB 3.29Å; L179-W182 WeakPolarHBondContact O-CB 3.48Å; L179-W182 PolarHBondContact O-N 2.95Å; A180-W182 PolarHBondContact O-N 2.74Å; W182-T184 PolarHBondContact O-N 3.23Å; W182-A185 PolarHBondContact O-N 2.79Å
183A64.7Low80.8Confident28 Ų2845.2 Ų45.223%0.23124%0.244CC..THydrogen-bonded Turntrans-47.2-26.7-160.800000116.2N181 H187 I211N181-A183 PolarHBondContact O-N 3.45Å; A183-H187 PolarHBondContact O-ND1 3.09Å; A183-I211 HydrophobicContact CB-CD1 3.65Å; A183-I211 HydrophobicContact CB-CG1 3.77Å
184T79.4Confident81.1Confident20 Ų2047 Ų4712%0.12325%0.254CS..Hα-helixtrans-68.2-29.3178.426.40000115W158 W182 L186 H187 Y188W158-T184 HydrophobicContact CH2-CG2 3.67Å; W158-T184 WeakPolarHBondContact CH2-OG1 3.25Å; W158-T184 HydrophobicContact CZ3-CG2 3.69Å; W158-T184 VanDerWaalsContact CZ3-OG1 3.27Å; W158-T184 WeakPolarHBondContact CZ3-OG1 3.41Å; W182-T184 PolarHBondContact O-N 3.23Å; T184-L186 PolarHBondContact O-N 3.37Å; T184-H187 WeakPolarHBondContact O-CB 3.44Å; T184-H187 PolarHBondContact O-N 2.96Å; T184-Y188 HydrophobicContact CG2-CE2 3.94Å; T184-Y188 VanDerWaalsContact O-CD2 3.24Å; T184-Y188 WeakPolarHBondContact O-CD2 3.38Å; T184-Y188 PolarHBondContact O-N 3.41Å
185A86.2Confident81.5Confident1 Ų145.9 Ų45.91%0.00823%0.232CC..Hα-helixtrans-57.3-49-172.400000112.9W157 V161 W182 H187 Y188 A189 L201W157-A185 HydrophobicContact CH2-CB 4.47Å; W157-A185 HydrophobicContact CZ2-CB 3.59Å; V161-A185 HydrophobicContact CG1-CB 4.35Å; V161-A185 HydrophobicContact CG2-CB 3.92Å; W182-A185 PolarHBondContact O-N 2.79Å; A185-H187 VanDerWaalsContact C-N 3.31Å; A185-H187 PolarHBondContact O-N 3.05Å; A185-Y188 PolarHBondContact O-N 3.26Å; A185-A189 PolarHBondContact O-N 3.45Å; A185-A189 VanDerWaalsContact O-N 3.1Å; A185-L201 HydrophobicContact CB-CD1 3.96Å; A185-L201 HydrophobicContact CB-CD2 4.22Å
186L88Confident81.9Confident6 Ų646.7 Ų46.73%0.03124%0.238CC..Hα-helixtrans-71.4-26178.9-165.460.8000112.9T184 A190 M198 L201 I202 P218T184-L186 PolarHBondContact O-N 3.37Å; L186-A190 WeakPolarHBondContact O-CB 3.46Å; L186-A190 PolarHBondContact O-N 3.28Å; L186-M198 HydrophobicContact CD1-CB 4.13Å; L186-M198 HydrophobicContact CD1-CE 4.16Å; L186-M198 HydrophobicContact CD1-CG 3.88Å; L186-L201 HydrophobicContact CB-CD1 4.32Å; L186-L201 HydrophobicContact CD1-CB 4.39Å; L186-L201 HydrophobicContact CD1-CD1 4.09Å; L186-I202 HydrophobicContact CD1-CD1 3.87Å; L186-I202 HydrophobicContact CD1-CG1 4.01Å; L186-I202 HydrophobicContact CD2-CD1 4.09Å; L186-I202 HydrophobicContact CD2-CG1 4.11Å; L186-P218 HydrophobicContact CB-CG 4.17Å; L186-P218 HydrophobicContact CD2-CB 4.41Å; L186-P218 HydrophobicContact CD2-CG 3.81Å; L186-P218 HydrophobicContact CG-CB 4.13Å; L186-P218 HydrophobicContact CG-CG 3.8Å
187H88.5Confident82.4Confident14 Ų1444.2 Ų44.27%0.06522%0.224CC..Hα-helixtrans-72.1-37.8174.6-70.581.2000112.2A183 T184 A185 K191 I211 S213 R216 V221A183-H187 PolarHBondContact O-ND1 3.09Å; T184-H187 WeakPolarHBondContact O-CB 3.44Å; T184-H187 PolarHBondContact O-N 2.96Å; A185-H187 VanDerWaalsContact C-N 3.31Å; A185-H187 PolarHBondContact O-N 3.05Å; H187-K191 WeakPolarHBondContact O-CB 3Å; H187-K191 PolarHBondContact O-N 3.46Å; H187-I211 PolarHBondContact CE1-O 3.14Å; H187-I211 VanDerWaalsContact CE1-O 3.26Å; H187-S213 WeakPolarHBondContact CE1-CB 3.38Å; H187-S213 PolarHBondContact CE1-N 3.11Å; H187-S213 WeakPolarHBondContact NE2-CB 3.44Å; H187-S213 PolarHBondContact NE2-N 3.36Å; H187-R216 PolarHBondContact NE2-O 3.11Å; H187-R216 VanDerWaalsContact NE2-O 3.11Å; H187-V221 WeakPolarHBondContact O-CG1 3.37Å
188Y88.7Confident83.1Confident64 Ų6440.5 Ų40.525%0.25120%0.201SC..Hα-helixtrans-69.5-45.2173.6-76.1-71.8000111.6W158 V161 I162 T184 A185 A190 K191 F192W158-Y188 HydrophobicContact CE3-CE2 4.24Å; W158-Y188 AromaticContact CZ3-CE2 3.91Å; W158-Y188 HydrophobicContact CZ3-CE2 3.91Å; V161-Y188 HydrophobicContact CG1-CD2 3.59Å; V161-Y188 HydrophobicContact CG1-CG 3.94Å; I162-Y188 HydrophobicContact CG1-CD1 4.38Å; I162-Y188 HydrophobicContact CG1-CE1 4.21Å; T184-Y188 HydrophobicContact CG2-CE2 3.94Å; T184-Y188 VanDerWaalsContact O-CD2 3.24Å; T184-Y188 WeakPolarHBondContact O-CD2 3.38Å; T184-Y188 PolarHBondContact O-N 3.41Å; A185-Y188 PolarHBondContact O-N 3.26Å; Y188-A190 PolarHBondContact O-N 2.74Å; Y188-K191 WeakPolarHBondContact O-CB 3.38Å; Y188-K191 PolarHBondContact O-N 3.25Å; Y188-F192 AromaticContact CD1-CE2 3.94Å; Y188-F192 HydrophobicContact CD1-CE2 3.94Å; Y188-F192 WeakPolarHBondContact O-CD2 3.33Å; Y188-F192 PolarHBondContact O-N 3.17Å
189A89.3Confident83.7Confident2 Ų236.9 Ų36.92%0.01719%0.185CC..Hα-helixtrans-56.5-40.3174.700000111.7A185 G193 N194 C197 M198A185-A189 PolarHBondContact O-N 3.45Å; A185-A189 VanDerWaalsContact O-N 3.1Å; A189-G193 PolarHBondContact O-N 3.16Å; A189-G193 VanDerWaalsContact O-N 3.08Å; A189-N194 PolarHBondContact O-N 3.07Å; A189-C197 HydrophobicContact CB-CB 3.79Å; A189-M198 HydrophobicContact CB-CG 3.56Å; A189-M198 HydrophobicContact CB-SD 4.47Å
190A90.6Very high84.3Confident0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-69.9-32.8173.800000114.4L186 Y188 P218 A222 T230L186-A190 WeakPolarHBondContact O-CB 3.46Å; L186-A190 PolarHBondContact O-N 3.28Å; Y188-A190 PolarHBondContact O-N 2.74Å; A190-P218 HydrophobicContact CB-CB 4Å; A190-P218 WeakPolarHBondContact CB-O 3.31Å; A190-A222 HydrophobicContact CB-CB 4.32Å; A190-T230 HydrophobicContact CB-CG2 4.46Å
191K89.4Confident85Confident40 Ų4036.7 Ų36.717%0.17418%0.183CC..Hα-helixtrans-65.7-45.8174167.5165.3-178.91650111.9H187 Y188 G193 V221 H225 Q227 F493H187-K191 WeakPolarHBondContact O-CB 3Å; H187-K191 PolarHBondContact O-N 3.46Å; Y188-K191 WeakPolarHBondContact O-CB 3.38Å; Y188-K191 PolarHBondContact O-N 3.25Å; K191-G193 VanDerWaalsContact C-N 3.34Å; K191-V221 HydrophobicContact CB-CG1 3.76Å; K191-H225 WeakPolarHBondContact CD-NE2 3.49Å; K191-H225 VanDerWaalsContact CE-NE2 3.29Å; K191-H225 WeakPolarHBondContact CE-NE2 3.47Å; K191-Q227 PolarHBondContact O-NE2 3.14Å; K191-F493 PolarHBondContact NZ-O 2.88Å
192F88.1Confident86.1Confident96 Ų9632.7 Ų32.742%0.42116%0.161SC..Hα-helixtrans-87-2.9-176.5-64.2-65.5000113.8I162 C164 Y188 N194I162-F192 WeakPolarHBondContact O-CE2 3.31Å; C164-F192 WeakPolarHBondContact SG-CD2 3.46Å; Y188-F192 AromaticContact CD1-CE2 3.94Å; Y188-F192 HydrophobicContact CD1-CE2 3.94Å; Y188-F192 WeakPolarHBondContact O-CD2 3.33Å; Y188-F192 PolarHBondContact O-N 3.17Å; F192-N194 VanDerWaalsContact C-N 3.27Å; F192-N194 PolarHBondContact O-N 2.99Å
193G88.1Confident86.9Confident18 Ų1832.7 Ų32.719%0.18617%0.168CC..THydrogen-bonded Turntrans70.917.2-179.900000114.7A189 K191 I195 T230A189-G193 PolarHBondContact O-N 3.16Å; A189-G193 VanDerWaalsContact O-N 3.08Å; K191-G193 VanDerWaalsContact C-N 3.34Å; G193-I195 PolarHBondContact O-N 3.5Å; G193-T230 VanDerWaalsContact CA-OG1 3.25Å; G193-T230 WeakPolarHBondContact CA-OG1 3.28Å; G193-T230 PolarHBondContact O-OG1 2.97Å
194N89.5Confident87.8Confident41 Ų4136.6 Ų36.622%0.21918%0.182CC..  trans-8387.7-173.5-168.9-32.8000111.6C164 A189 F192 N196 C197 M198C164-N194 HydrophobicContact CB-CB 4.15Å; C164-N194 WeakPolarHBondContact CB-ND2 3.24Å; C164-N194 PolarHBondContact O-ND2 3.19Å; A189-N194 PolarHBondContact O-N 3.07Å; F192-N194 VanDerWaalsContact C-N 3.27Å; F192-N194 PolarHBondContact O-N 2.99Å; N194-N196 PolarHBondContact O-N 3.26Å; N194-N196 WeakPolarHBondContact OD1-CB 3.17Å; N194-N196 PolarHBondContact OD1-N 3.41Å; N194-N196 VanDerWaalsContact OD1-N 3.1Å; N194-C197 HydrophobicContact CB-CB 4.2Å; N194-C197 VanDerWaalsContact CG-SG 3.59Å; N194-C197 WeakPolarHBondContact O-CB 3.17Å; N194-C197 PolarHBondContact O-N 3.46Å; N194-C197 PolarHBondContact OD1-N 3.21Å; N194-M198 WeakPolarHBondContact O-CG 3.45Å; N194-M198 PolarHBondContact O-N 3.19Å
195I89.9Confident87.8Confident37 Ų3738.6 Ų38.619%0.1919%0.187CC..Hα-helixtrans-58.7-31.4178.9-60166.5000111.9G193 M198 K199 V229G193-I195 PolarHBondContact O-N 3.5Å; I195-M198 PolarHBondContact O-N 2.92Å; I195-K199 HydrophobicContact CG2-CD 4.03Å; I195-K199 HydrophobicContact CG2-CG 4.13Å; I195-K199 WeakPolarHBondContact O-CB 3.49Å; I195-K199 WeakPolarHBondContact O-CG 2.98Å; I195-K199 PolarHBondContact O-N 3.49Å; I195-V229 HydrophobicContact CD1-CB 3.97Å; I195-V229 HydrophobicContact CD1-CG1 3.46Å; I195-V229 VanDerWaalsContact CD1-CG1 3.46Å
196N88.8Confident87.6Confident109 Ų10946 Ų4658%0.58322%0.221SC*.Hα-helixtrans-68.8-41.4179.4-66-30.1000111.6V166 N194 M198 L200V166-N196 HydrophobicContact CG2-CB 4.04Å; N194-N196 PolarHBondContact O-N 3.26Å; N194-N196 WeakPolarHBondContact OD1-CB 3.17Å; N194-N196 PolarHBondContact OD1-N 3.41Å; N194-N196 VanDerWaalsContact OD1-N 3.1Å; N196-M198 VanDerWaalsContact C-N 3.29Å; N196-M198 PolarHBondContact O-N 2.87Å; N196-L200 WeakPolarHBondContact O-CB 3.46Å; N196-L200 PolarHBondContact O-N 3.29Å
197C89.1Confident87.4Confident1 Ų146 Ų461%0.00722%0.222CC..Hα-helixtrans-59.5-40.3169.3-73.70000111.6C164 M169 A189 N194 L200 L201C164-C197 PolarHBondContact O-SG 3.45Å; C164-C197 VanDerWaalsContact O-SG 3.35Å; M169-C197 HydrophobicContact SD-CB 4.44Å; A189-C197 HydrophobicContact CB-CB 3.79Å; N194-C197 HydrophobicContact CB-CB 4.2Å; N194-C197 VanDerWaalsContact CG-SG 3.59Å; N194-C197 WeakPolarHBondContact O-CB 3.17Å; N194-C197 PolarHBondContact O-N 3.46Å; N194-C197 PolarHBondContact OD1-N 3.21Å; C197-L200 PolarHBondContact O-N 3.42Å; C197-L201 WeakPolarHBondContact O-CB 3.23Å; C197-L201 VanDerWaalsContact O-CG 3.28Å; C197-L201 WeakPolarHBondContact O-CG 3.46Å; C197-L201 PolarHBondContact O-N 3.15Å
198M89.7Confident87.2Confident0 Ų049.6 Ų49.60%024%0.242CC..Hα-helixtrans-69.8-44.3-179.9-60.8177.964.300112.4L186 A189 N194 I195 N196 L200 L201 I202 T230 L234 F238L186-M198 HydrophobicContact CD1-CB 4.13Å; L186-M198 HydrophobicContact CD1-CE 4.16Å; L186-M198 HydrophobicContact CD1-CG 3.88Å; A189-M198 HydrophobicContact CB-CG 3.56Å; A189-M198 HydrophobicContact CB-SD 4.47Å; N194-M198 WeakPolarHBondContact O-CG 3.45Å; N194-M198 PolarHBondContact O-N 3.19Å; I195-M198 PolarHBondContact O-N 2.92Å; N196-M198 VanDerWaalsContact C-N 3.29Å; N196-M198 PolarHBondContact O-N 2.87Å; M198-L200 VanDerWaalsContact C-N 3.29Å; M198-L200 PolarHBondContact O-N 2.81Å; M198-L201 PolarHBondContact O-N 2.95Å; M198-I202 HydrophobicContact CB-CD1 4.45Å; M198-I202 WeakPolarHBondContact O-CB 3.47Å; M198-I202 WeakPolarHBondContact O-CG1 3.45Å; M198-I202 PolarHBondContact O-N 2.68Å; M198-T230 HydrophobicContact CE-CG2 3.81Å; M198-T230 HydrophobicContact SD-CG2 3.44Å; M198-T230 WeakPolarHBondContact SD-CG2 3.47Å; M198-L234 HydrophobicContact CE-CD1 4Å; M198-L234 HydrophobicContact CE-CD2 3.38Å; M198-L234 HydrophobicContact CE-CG 3.54Å; M198-F238 HydrophobicContact CB-CE2 3.95Å; M198-F238 HydrophobicContact CB-CZ 4.08Å; M198-F238 HydrophobicContact CE-CD2 4.4Å; M198-F238 HydrophobicContact CE-CE2 4.26Å
199K89.3Confident87.1Confident88 Ų8847.6 Ų47.638%0.38324%0.236SC..Hα-helixtrans-59.4-40.9173.9-75-176.5176.3-177.10111I195 N203 F238I195-K199 HydrophobicContact CG2-CD 4.03Å; I195-K199 HydrophobicContact CG2-CG 4.13Å; I195-K199 WeakPolarHBondContact O-CB 3.49Å; I195-K199 WeakPolarHBondContact O-CG 2.98Å; I195-K199 PolarHBondContact O-N 3.49Å; K199-N203 WeakPolarHBondContact O-CA 3.33Å; K199-N203 WeakPolarHBondContact O-CB 3.38Å; K199-N203 PolarHBondContact O-N 3.44Å; K199-F238 HydrophobicContact CB-CZ 4.42Å; K199-F238 HydrophobicContact CG-CE1 4.24Å; K199-F238 HydrophobicContact CG-CZ 3.65Å
200L87Confident87Confident10 Ų1049.4 Ų49.45%0.05225%0.246CC..Iπ-helixtrans-61.8-55.6173.3-172.5151.6000111.2V166 K170 L173 N196 C197 M198 I202 Q204 Y205V166-L200 HydrophobicContact CG1-CD1 3.63Å; K170-L200 HydrophobicContact CB-CD1 3.92Å; K170-L200 HydrophobicContact CG-CD1 4.28Å; L173-L200 HydrophobicContact CD1-CD2 3.42Å; L173-L200 VanDerWaalsContact CD1-CD2 3.42Å; N196-L200 WeakPolarHBondContact O-CB 3.46Å; N196-L200 PolarHBondContact O-N 3.29Å; C197-L200 PolarHBondContact O-N 3.42Å; M198-L200 VanDerWaalsContact C-N 3.29Å; M198-L200 PolarHBondContact O-N 2.81Å; L200-I202 PolarHBondContact O-N 3.14Å; L200-Q204 VanDerWaalsContact O-CB 3.31Å; L200-Q204 WeakPolarHBondContact O-CB 3.44Å; L200-Q204 PolarHBondContact O-N 2.7Å; L200-Q204 VanDerWaalsContact O-N 3.09Å; L200-Y205 HydrophobicContact CD2-CD2 3.73Å; L200-Y205 HydrophobicContact CD2-CE2 3.7Å; L200-Y205 HydrophobicContact CG-CD2 4.44Å; L200-Y205 HydrophobicContact CG-CE2 4.25Å; L200-Y205 PolarHBondContact O-N 3.04Å
201L86.4Confident86.8Confident0 Ų051 Ų510%025%0.254CS..Iπ-helixtrans-60.6-44.7-177-72.7170.6000113.2W157 M169 L173 A180 A185 L186 C197 M198 Y205 H206 A207W157-L201 HydrophobicContact CH2-CD2 3.94Å; W157-L201 HydrophobicContact CZ2-CD2 4.25Å; M169-L201 HydrophobicContact CE-CD1 4.04Å; M169-L201 HydrophobicContact CE-CD2 3.97Å; M169-L201 HydrophobicContact CE-CG 4.05Å; L173-L201 HydrophobicContact CD1-CD2 4.43Å; A180-L201 HydrophobicContact CB-CD2 4.21Å; A185-L201 HydrophobicContact CB-CD1 3.96Å; A185-L201 HydrophobicContact CB-CD2 4.22Å; L186-L201 HydrophobicContact CB-CD1 4.32Å; L186-L201 HydrophobicContact CD1-CB 4.39Å; L186-L201 HydrophobicContact CD1-CD1 4.09Å; C197-L201 WeakPolarHBondContact O-CB 3.23Å; C197-L201 VanDerWaalsContact O-CG 3.28Å; C197-L201 WeakPolarHBondContact O-CG 3.46Å; C197-L201 PolarHBondContact O-N 3.15Å; M198-L201 PolarHBondContact O-N 2.95Å; L201-Y205 CarbonylContact O-C 3.57Å; L201-Y205 PolarHBondContact O-N 3.4Å; L201-H206 PolarHBondContact O-N 2.96Å; L201-A207 HydrophobicContact CB-CB 4.02Å; L201-A207 VanDerWaalsContact O-CB 3.22Å; L201-A207 WeakPolarHBondContact O-CB 2.97Å; L201-A207 PolarHBondContact O-N 3.2Å
202I87.3Confident86.7Confident17 Ų1754 Ų549%0.08726%0.264CS..Iπ-helixtrans-83.8-48-173.6-60167.3000111.2L186 M198 L200 H206 V209 F238L186-I202 HydrophobicContact CD1-CD1 3.87Å; L186-I202 HydrophobicContact CD1-CG1 4.01Å; L186-I202 HydrophobicContact CD2-CD1 4.09Å; L186-I202 HydrophobicContact CD2-CG1 4.11Å; M198-I202 HydrophobicContact CB-CD1 4.45Å; M198-I202 WeakPolarHBondContact O-CB 3.47Å; M198-I202 WeakPolarHBondContact O-CG1 3.45Å; M198-I202 PolarHBondContact O-N 2.68Å; L200-I202 PolarHBondContact O-N 3.14Å; I202-H206 VanDerWaalsContact O-CA 3.25Å; I202-H206 WeakPolarHBondContact O-CA 3.38Å; I202-H206 PolarHBondContact O-N 3.04Å; I202-V209 HydrophobicContact CD1-CG1 4.46Å; I202-V209 HydrophobicContact CD1-CG2 3.96Å; I202-V209 HydrophobicContact CG1-CG2 4.18Å; I202-V209 HydrophobicContact CG2-CG2 3.88Å; I202-F238 HydrophobicContact CB-CD1 3.92Å; I202-F238 HydrophobicContact CB-CE1 3.87Å; I202-F238 HydrophobicContact CD1-CB 4.02Å; I202-F238 HydrophobicContact CD1-CD1 3.53Å; I202-F238 HydrophobicContact CD1-CD2 3.73Å; I202-F238 HydrophobicContact CD1-CE1 3.77Å; I202-F238 HydrophobicContact CD1-CE2 3.98Å; I202-F238 HydrophobicContact CD1-CG 3.49Å; I202-F238 VanDerWaalsContact CD1-CG 3.49Å; I202-F238 HydrophobicContact CD1-CZ 3.97Å; I202-F238 HydrophobicContact CG1-CD1 4.33Å; I202-F238 HydrophobicContact CG1-CE1 4.4Å; I202-F238 HydrophobicContact CG2-CD1 3.62Å; I202-F238 HydrophobicContact CG2-CE1 4.04Å; I202-F238 HydrophobicContact CG2-CG 4.43Å
203N86.1Confident86.5Confident94 Ų9450.5 Ų50.550%0.50325%0.252SS..Iπ-helixtrans-82.6-34.9-172.6-57.8-6.1000112.6K199 F238K199-N203 WeakPolarHBondContact O-CA 3.33Å; K199-N203 WeakPolarHBondContact O-CB 3.38Å; K199-N203 PolarHBondContact O-N 3.44Å; N203-F238 WeakPolarHBondContact OD1-CE1 3.49Å
204Q83.6Confident86.1Confident111 Ų11156.8 Ų56.852%0.51927%0.27SS..Iπ-helixtrans-95-29.4-177.2-56.9-177.5-11.700113.1L200L200-Q204 VanDerWaalsContact O-CB 3.31Å; L200-Q204 WeakPolarHBondContact O-CB 3.44Å; L200-Q204 PolarHBondContact O-N 2.7Å; L200-Q204 VanDerWaalsContact O-N 3.09Å
205Y81.1Confident85.8Confident61 Ų6154.9 Ų54.924%0.23926%0.26CS..THydrogen-bonded Turntrans-122.510.2-175.3-63.5-87.1000114.1L173 A180 L200 L201 A207L173-Y205 HydrophobicContact CB-CD1 4.25Å; L173-Y205 HydrophobicContact CB-CE1 3.61Å; L173-Y205 HydrophobicContact CB-CE2 4.01Å; L173-Y205 VanDerWaalsContact CB-CZ 3.46Å; L173-Y205 HydrophobicContact CD1-CD2 3.76Å; L173-Y205 HydrophobicContact CD1-CE1 4.45Å; L173-Y205 HydrophobicContact CD1-CE2 3.69Å; L173-Y205 HydrophobicContact CD1-CG 4.18Å; L173-Y205 HydrophobicContact CD2-CD1 4.34Å; L173-Y205 HydrophobicContact CG-CE1 4.42Å; L173-Y205 HydrophobicContact CG-CE2 4.44Å; A180-Y205 HydrophobicContact CB-CG 4.29Å; L200-Y205 HydrophobicContact CD2-CD2 3.73Å; L200-Y205 HydrophobicContact CD2-CE2 3.7Å; L200-Y205 HydrophobicContact CG-CD2 4.44Å; L200-Y205 HydrophobicContact CG-CE2 4.25Å; L200-Y205 PolarHBondContact O-N 3.04Å; L201-Y205 CarbonylContact O-C 3.57Å; L201-Y205 PolarHBondContact O-N 3.4Å; Y205-A207 PolarHBondContact O-N 3.43Å; Y205-A207 VanDerWaalsContact O-N 3.09Å
206H81.2Confident85.7Confident156 Ų15657.9 Ų57.972%0.72227%0.269SS*.  trans50.834.2174.7-57.3-49.7000114.9L201 I202 N208L201-H206 PolarHBondContact O-N 2.96Å; I202-H206 VanDerWaalsContact O-CA 3.25Å; I202-H206 WeakPolarHBondContact O-CA 3.38Å; I202-H206 PolarHBondContact O-N 3.04Å; H206-N208 PolarHBondContact O-N 3.06Å
207A83.6Confident85.8Confident6 Ų652.8 Ų52.85%0.0524%0.241CC..  trans-59.3131.1177.500000111.1L201 Y205 V209L201-A207 HydrophobicContact CB-CB 4.02Å; L201-A207 VanDerWaalsContact O-CB 3.22Å; L201-A207 WeakPolarHBondContact O-CB 2.97Å; L201-A207 PolarHBondContact O-N 3.2Å; Y205-A207 PolarHBondContact O-N 3.43Å; Y205-A207 VanDerWaalsContact O-N 3.09Å; A207-V209 PolarHBondContact O-N 2.89Å; A207-V209 VanDerWaalsContact O-N 3.11Å
208N84.6Confident85.8Confident91 Ų9152.7 Ų52.749%0.48724%0.241SC..  trans-65.2112.3-177.3-178.6-10.4000111.4H206 N210 I211H206-N208 PolarHBondContact O-N 3.06Å; N208-N210 PolarHBondContact O-N 3.28Å; N208-N210 PolarHBondContact OD1-N 3.43Å; N208-I211 HydrophobicContact CB-CB 4.3Å; N208-I211 WeakPolarHBondContact O-CB 3.33Å; N208-I211 WeakPolarHBondContact O-CG2 3.37Å; N208-I211 PolarHBondContact O-N 2.88Å; N208-I211 VanDerWaalsContact O-N 3.12Å
209V87.3Confident85.9Confident21 Ų2152.8 Ų52.813%0.12724%0.241CC..THydrogen-bonded Turntrans-60.7-30.4-178.5-166.90000112.6I202 A207 P218 L234 F238 A240I202-V209 HydrophobicContact CD1-CG1 4.46Å; I202-V209 HydrophobicContact CD1-CG2 3.96Å; I202-V209 HydrophobicContact CG1-CG2 4.18Å; I202-V209 HydrophobicContact CG2-CG2 3.88Å; A207-V209 PolarHBondContact O-N 2.89Å; A207-V209 VanDerWaalsContact O-N 3.11Å; V209-P218 WeakPolarHBondContact O-CD 3.22Å; V209-L234 HydrophobicContact CG1-CD2 3.72Å; V209-F238 HydrophobicContact CG1-CB 4.04Å; V209-F238 HydrophobicContact CG2-CB 4.23Å; V209-A240 HydrophobicContact CG1-CB 3.62Å
210N86.7Confident85.9Confident40 Ų4048.6 Ų48.621%0.21422%0.223CC..THydrogen-bonded Turntrans-93.212.5-178.5-72.7-30000113.5N208 D241 L244N208-N210 PolarHBondContact O-N 3.28Å; N208-N210 PolarHBondContact OD1-N 3.43Å; N210-D241 PolarHBondContact ND2-OD2 3.1Å; N210-D241 PolarHBondContact OD1-N 3.07Å; N210-L244 HydrophobicContact CB-CD1 3.72Å
211I86.4Confident86.1Confident34 Ų3449 Ų4917%0.17423%0.226CC..  trans-59.7137.4-178.1-165.4154000111.7A183 H187 N208 T217 P218A183-I211 HydrophobicContact CB-CD1 3.65Å; A183-I211 HydrophobicContact CB-CG1 3.77Å; H187-I211 PolarHBondContact CE1-O 3.14Å; H187-I211 VanDerWaalsContact CE1-O 3.26Å; N208-I211 HydrophobicContact CB-CB 4.3Å; N208-I211 WeakPolarHBondContact O-CB 3.33Å; N208-I211 WeakPolarHBondContact O-CG2 3.37Å; N208-I211 PolarHBondContact O-N 2.88Å; N208-I211 VanDerWaalsContact O-N 3.12Å; I211-T217 WeakPolarHBondContact O-CA 3.29Å; I211-P218 HydrophobicContact CG2-CG 4.13Å; I211-P218 VanDerWaalsContact O-CD 3.24Å; I211-P218 WeakPolarHBondContact O-CD 3.39Å
212R86.5Confident86.3Confident104 Ų10449 Ų4939%0.39223%0.226SC..  trans-104.3117.5-175.6-65.4172.671.897.62.8111.1G215 R216 T217 M245R212-G215 VanDerWaalsContact CZ-O 3.25Å; R212-G215 PolarHBondContact NH2-O 3.48Å; R212-G215 VanDerWaalsContact NH2-O 3.1Å; R212-R216 CarbonylContact C-O 3.32Å; R212-R216 VanDerWaalsContact CA-O 3.25Å; R212-R216 WeakPolarHBondContact CA-O 3.42Å; R212-T217 HydrophobicContact CG-CG2 4.08Å; R212-M245 PolarHBondContact NH1-O 3.28Å; R212-M245 PolarHBondContact NH2-O 3.22Å
213S83.5Confident86.4Confident22 Ų2248.2 Ų48.215%0.15422%0.222CC..BIsolated β-bridgetrans-114.7124.2169.7-170.40000110.1H187 G215 R216H187-S213 WeakPolarHBondContact CE1-CB 3.38Å; H187-S213 PolarHBondContact CE1-N 3.11Å; H187-S213 WeakPolarHBondContact NE2-CB 3.44Å; H187-S213 PolarHBondContact NE2-N 3.36Å; S213-G215 PolarHBondContact O-N 3.05Å; S213-G215 VanDerWaalsContact O-N 3.07Å; S213-R216 PolarHBondContact N-O 3.22Å; S213-R216 PolarHBondContact O-N 3.26Å; S213-R216 VanDerWaalsContact O-N 3.1Å
214R81.1Confident86.5Confident149 Ų14946.2 Ų46.256%0.56221%0.213SC*.THydrogen-bonded Turntrans48.334.4-171-59.9178177.7160.4-1.6112.6R216 F247 H517R214-R216 VanDerWaalsContact C-N 3.27Å; R214-R216 PolarHBondContact O-N 2.92Å; R214-F247 VanDerWaalsContact C-CD2 3.46Å; R214-F247 VanDerWaalsContact C-CE2 3.43Å; R214-F247 WeakPolarHBondContact O-CD2 3.33Å; R214-H517 PolarHBondContact NE-CE1 3.46Å; R214-H517 PolarHBondContact NH2-CE1 3.21Å; R214-H517 PolarHBondContact NH2-NE2 3.42Å
215G83.4Confident86.7Confident1 Ų144.2 Ų44.21%0.0120%0.204CC..THydrogen-bonded Turntrans86.6-28.3179.400000115.5R212 S213 D246R212-G215 VanDerWaalsContact CZ-O 3.25Å; R212-G215 PolarHBondContact NH2-O 3.48Å; R212-G215 VanDerWaalsContact NH2-O 3.1Å; S213-G215 PolarHBondContact O-N 3.05Å; S213-G215 VanDerWaalsContact O-N 3.07Å; G215-D246 WeakPolarHBondContact O-CA 3.45Å
216R87.6Confident87Confident101 Ų10142.6 Ų42.638%0.38120%0.201SC..BIsolated β-bridgetrans-74.4154176.4-67.4-177.3-176174.94.8110.5H187 R212 S213 R214 H220 V221 D246H187-R216 PolarHBondContact NE2-O 3.11Å; H187-R216 VanDerWaalsContact NE2-O 3.11Å; R212-R216 CarbonylContact C-O 3.32Å; R212-R216 VanDerWaalsContact CA-O 3.25Å; R212-R216 WeakPolarHBondContact CA-O 3.42Å; S213-R216 PolarHBondContact N-O 3.22Å; S213-R216 PolarHBondContact O-N 3.26Å; S213-R216 VanDerWaalsContact O-N 3.1Å; R214-R216 VanDerWaalsContact C-N 3.27Å; R214-R216 PolarHBondContact O-N 2.92Å; R216-H220 HydrophobicContact CB-CB 3.92Å; R216-H220 HydrophobicContact CG-CB 4.17Å; R216-V221 HydrophobicContact CB-CG2 4.39Å; R216-D246 HydrophobicContact CG-CB 3.89Å; R216-D246 IonicContact NE-OD2 2.68Å
217T89.8Confident87.4Confident1 Ų137.9 Ų37.91%0.00618%0.18CC..  trans-102.1167.6168.169.10000110I211 R212 L219 H220 V221 L244I211-T217 WeakPolarHBondContact O-CA 3.29Å; R212-T217 HydrophobicContact CG-CG2 4.08Å; T217-L219 PolarHBondContact O-N 2.86Å; T217-L219 VanDerWaalsContact O-N 3.16Å; T217-L219 PolarHBondContact OG1-N 2.85Å; T217-H220 PolarHBondContact N-ND1 3.16Å; T217-H220 WeakPolarHBondContact O-CB 3.15Å; T217-H220 PolarHBondContact O-N 3.14Å; T217-H220 PolarHBondContact OG1-ND1 3.28Å; T217-V221 PolarHBondContact O-N 2.9Å; T217-V221 VanDerWaalsContact O-N 3.14Å; T217-L244 HydrophobicContact CG2-CB 4.18Å; T217-L244 HydrophobicContact CG2-CD1 3.9Å
218P90.3Very high87.5Confident0 Ų043.9 Ų43.90%020%0.201CC..Hα-helixtrans-50.6-37.4172.2-29.735.3000113.2L186 A190 V209 I211 V221 A222 L234L186-P218 HydrophobicContact CB-CG 4.17Å; L186-P218 HydrophobicContact CD2-CB 4.41Å; L186-P218 HydrophobicContact CD2-CG 3.81Å; L186-P218 HydrophobicContact CG-CB 4.13Å; L186-P218 HydrophobicContact CG-CG 3.8Å; A190-P218 HydrophobicContact CB-CB 4Å; A190-P218 WeakPolarHBondContact CB-O 3.31Å; V209-P218 WeakPolarHBondContact O-CD 3.22Å; I211-P218 HydrophobicContact CG2-CG 4.13Å; I211-P218 VanDerWaalsContact O-CD 3.24Å; I211-P218 WeakPolarHBondContact O-CD 3.39Å; P218-V221 PolarHBondContact O-N 2.64Å; P218-V221 VanDerWaalsContact O-N 3.17Å; P218-A222 WeakPolarHBondContact O-CB 3.35Å; P218-A222 PolarHBondContact O-N 2.74Å; P218-L234 HydrophobicContact CB-CD1 4.43Å; P218-L234 HydrophobicContact CB-CD2 4.48Å
219L90.7Very high87.7Confident1 Ų144.4 Ų44.41%0.00521%0.207CC..Hα-helixtrans-64.4-39.7176.3-174.961.5000113.1T217 V221 A222 V223 I231 L234 V235 A240 P242 P252 L268T217-L219 PolarHBondContact O-N 2.86Å; T217-L219 VanDerWaalsContact O-N 3.16Å; T217-L219 PolarHBondContact OG1-N 2.85Å; L219-V221 VanDerWaalsContact C-N 3.3Å; L219-V221 PolarHBondContact O-N 3.09Å; L219-A222 PolarHBondContact O-N 3.39Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 3.12Å; L219-I231 HydrophobicContact CD1-CG2 4.26Å; L219-L234 HydrophobicContact CB-CD1 4.24Å; L219-L234 HydrophobicContact CD1-CB 4.07Å; L219-L234 HydrophobicContact CD1-CD1 4.11Å; L219-V235 HydrophobicContact CD1-CG2 4.09Å; L219-V235 HydrophobicContact CD2-CG2 4.29Å; L219-A240 HydrophobicContact CD2-CB 4.35Å; L219-P242 HydrophobicContact CD2-CB 4.22Å; L219-P252 HydrophobicContact CD2-CB 4.23Å; L219-P252 HydrophobicContact CD2-CG 4Å; L219-P252 HydrophobicContact CG-CB 4.06Å; L219-P252 HydrophobicContact CG-CG 4.15Å; L219-L268 HydrophobicContact CD1-CD2 4.44Å; L219-L268 HydrophobicContact CD2-CD2 4.25Å
220H90.2Very high87.9Confident0 Ų043.4 Ų43.40%020%0.201CC..Hα-helixtrans-63.5-38.5172.6-65.579.8000111.3R216 T217 V224 L244 D246 Y250 L255R216-H220 HydrophobicContact CB-CB 3.92Å; R216-H220 HydrophobicContact CG-CB 4.17Å; T217-H220 PolarHBondContact N-ND1 3.16Å; T217-H220 WeakPolarHBondContact O-CB 3.15Å; T217-H220 PolarHBondContact O-N 3.14Å; T217-H220 PolarHBondContact OG1-ND1 3.28Å; H220-V224 WeakPolarHBondContact O-CB 3.16Å; H220-V224 VanDerWaalsContact O-CG2 3.24Å; H220-V224 WeakPolarHBondContact O-CG2 3.48Å; H220-V224 PolarHBondContact O-N 3.29Å; H220-L244 PolarHBondContact CE1-O 3.36Å; H220-L244 PolarHBondContact NE2-O 3.44Å; H220-D246 PolarHBondContact NE2-N 3.02Å; H220-Y250 PolarHBondContact NE2-O 3.19Å; H220-L255 HydrophobicContact CB-CD1 4.34Å
221V90.4Very high88.1Confident19 Ų1941.5 Ų41.512%0.11519%0.191CC..Hα-helixtrans-71.4-39.9179.4175.60000111.7H187 K191 R216 T217 P218 L219 V223 V224 H225H187-V221 WeakPolarHBondContact O-CG1 3.37Å; K191-V221 HydrophobicContact CB-CG1 3.76Å; R216-V221 HydrophobicContact CB-CG2 4.39Å; T217-V221 PolarHBondContact O-N 2.9Å; T217-V221 VanDerWaalsContact O-N 3.14Å; P218-V221 PolarHBondContact O-N 2.64Å; P218-V221 VanDerWaalsContact O-N 3.17Å; L219-V221 VanDerWaalsContact C-N 3.3Å; L219-V221 PolarHBondContact O-N 3.09Å; V221-V223 VanDerWaalsContact C-N 3.34Å; V221-V224 PolarHBondContact O-N 3.26Å; V221-H225 PolarHBondContact O-N 3.16Å; V221-H225 VanDerWaalsContact O-N 3.13Å; V221-H225 PolarHBondContact O-ND1 3.28Å
222A90.3Very high88.1Confident0 Ų045.4 Ų45.40%020%0.204CC..Hα-helixtrans-61.8-41.2174.300000111.9A190 P218 L219 H225 S226 Q227 T230 I231 L234A190-A222 HydrophobicContact CB-CB 4.32Å; P218-A222 WeakPolarHBondContact O-CB 3.35Å; P218-A222 PolarHBondContact O-N 2.74Å; L219-A222 PolarHBondContact O-N 3.39Å; A222-H225 CarbonylContact O-C 3.49Å; A222-S226 PolarHBondContact O-N 2.94Å; A222-S226 VanDerWaalsContact O-N 3.16Å; A222-Q227 HydrophobicContact CB-CB 4.48Å; A222-Q227 PolarHBondContact O-N 3.15Å; A222-T230 HydrophobicContact CB-CG2 4Å; A222-I231 HydrophobicContact CB-CG1 3.92Å; A222-L234 HydrophobicContact CB-CD1 3.89Å
223V89.6Confident88.3Confident0 Ų040.8 Ų40.80%019%0.187CC..Hα-helixtrans-65.4-47.8175.11690000111.9L219 V221 H225 S226 I231 P252 L255 L256 L268L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 3.12Å; V221-V223 VanDerWaalsContact C-N 3.34Å; V223-H225 PolarHBondContact O-N 3.42Å; V223-S226 PolarHBondContact O-N 3.33Å; V223-I231 HydrophobicContact CG2-CD1 4Å; V223-I231 HydrophobicContact CG2-CG1 4.09Å; V223-I231 HydrophobicContact CG2-CG2 4.46Å; V223-P252 WeakPolarHBondContact CG1-O 3.25Å; V223-P252 HydrophobicContact CG2-CB 4.3Å; V223-L255 VanDerWaalsContact CG1-C 3.48Å; V223-L255 HydrophobicContact CG1-CB 4.01Å; V223-L255 WeakPolarHBondContact CG1-O 3.12Å; V223-L256 HydrophobicContact CG1-CB 4.4Å; V223-L256 HydrophobicContact CG1-CD2 3.71Å; V223-L256 HydrophobicContact CG1-CG 3.92Å; V223-L256 HydrophobicContact CG2-CD2 4.23Å; V223-L268 HydrophobicContact CG2-CD1 4.29Å
224V88.3Confident88.5Confident53 Ų5339.7 Ų39.732%0.32118%0.18SC..Hα-helixtrans-63.3-23.9-179.9167.20000113.1H220 V221 L255H220-V224 WeakPolarHBondContact O-CB 3.16Å; H220-V224 VanDerWaalsContact O-CG2 3.24Å; H220-V224 WeakPolarHBondContact O-CG2 3.48Å; H220-V224 PolarHBondContact O-N 3.29Å; V221-V224 PolarHBondContact O-N 3.26Å; V224-L255 HydrophobicContact CG2-CB 4.01Å; V224-L255 HydrophobicContact CG2-CD1 3.86Å; V224-L255 HydrophobicContact CG2-CG 4.44Å
225H88.1Confident88.8Confident68 Ų6834.1 Ų34.132%0.31516%0.163SC..THydrogen-bonded Turntrans-104.215.2174.7-59.683.7000112.7K191 V221 A222 V223 Q227K191-H225 WeakPolarHBondContact CD-NE2 3.49Å; K191-H225 VanDerWaalsContact CE-NE2 3.29Å; K191-H225 WeakPolarHBondContact CE-NE2 3.47Å; V221-H225 PolarHBondContact O-N 3.16Å; V221-H225 VanDerWaalsContact O-N 3.13Å; V221-H225 PolarHBondContact O-ND1 3.28Å; A222-H225 CarbonylContact O-C 3.49Å; V223-H225 PolarHBondContact O-N 3.42Å; H225-Q227 HydrophobicContact CB-CG 4.06Å; H225-Q227 PolarHBondContact O-N 3.48Å
226S86.8Confident88.9Confident27 Ų2739.3 Ų39.319%0.18919%0.187CC..THydrogen-bonded Turntrans53.530.8174.7-750000115.6A222 V223 R228 E257 L260A222-S226 PolarHBondContact O-N 2.94Å; A222-S226 VanDerWaalsContact O-N 3.16Å; V223-S226 PolarHBondContact O-N 3.33Å; S226-R228 VanDerWaalsContact C-N 3.29Å; S226-R228 PolarHBondContact O-N 3.48Å; S226-E257 WeakPolarHBondContact CB-OE1 3.28Å; S226-E257 PolarHBondContact OG-OE1 3.11Å; S226-L260 VanDerWaalsContact OG-CD1 3.31Å; S226-L260 WeakPolarHBondContact OG-CD1 3.45Å
227Q89.2Confident88.9Confident58 Ų5838.9 Ų38.927%0.27119%0.192SC..  trans-78.469-174.5-66.2-67.8-1.800112.3K191 A222 H225 V229 T230 I231K191-Q227 PolarHBondContact O-NE2 3.14Å; A222-Q227 HydrophobicContact CB-CB 4.48Å; A222-Q227 PolarHBondContact O-N 3.15Å; H225-Q227 HydrophobicContact CB-CG 4.06Å; H225-Q227 PolarHBondContact O-N 3.48Å; Q227-V229 PolarHBondContact O-N 3.35Å; Q227-V229 VanDerWaalsContact O-N 3.16Å; Q227-T230 CarbonylContact O-C 3.59Å; Q227-T230 WeakPolarHBondContact O-CA 3.33Å; Q227-T230 WeakPolarHBondContact O-CB 3.31Å; Q227-T230 PolarHBondContact O-N 2.95Å; Q227-I231 WeakPolarHBondContact O-CG1 3.48Å; Q227-I231 PolarHBondContact O-N 3.46Å
228R87.4Confident88.7Confident131 Ų13139.7 Ų39.749%0.49420%0.195SC..Hα-helixtrans-39.3-56.3-174.1-62.1-172.7-167.2-159.9-0.8114.5S226 T230 I231 R232 L260 Y264S226-R228 VanDerWaalsContact C-N 3.29Å; S226-R228 PolarHBondContact O-N 3.48Å; R228-T230 VanDerWaalsContact C-N 3.28Å; R228-T230 PolarHBondContact O-N 3.28Å; R228-I231 PolarHBondContact O-N 3.19Å; R228-R232 PolarHBondContact O-N 3.08Å; R228-R232 VanDerWaalsContact O-N 3.09Å; R228-L260 HydrophobicContact CG-CD2 3.92Å; R228-Y264 HydrophobicContact CG-CE2 4.33Å; R228-Y264 PolarHBondContact O-OH 3.14Å
229V89.1Confident88.4Confident102 Ų10247.8 Ų47.862%0.61823%0.23SC*.Hα-helixtrans-64.7-34.5-176.8-159.60000111.7I195 Q227 A233I195-V229 HydrophobicContact CD1-CB 3.97Å; I195-V229 HydrophobicContact CD1-CG1 3.46Å; I195-V229 VanDerWaalsContact CD1-CG1 3.46Å; Q227-V229 PolarHBondContact O-N 3.35Å; Q227-V229 VanDerWaalsContact O-N 3.16Å; V229-A233 WeakPolarHBondContact O-CB 3.46Å; V229-A233 PolarHBondContact O-N 3Å
230T91Very high88.3Confident1 Ų148 Ų481%0.00623%0.232CC..Hα-helixtrans-76.2-33.3177.4-63.40000112.5A190 G193 M198 A222 Q227 R228 L234A190-T230 HydrophobicContact CB-CG2 4.46Å; G193-T230 VanDerWaalsContact CA-OG1 3.25Å; G193-T230 WeakPolarHBondContact CA-OG1 3.28Å; G193-T230 PolarHBondContact O-OG1 2.97Å; M198-T230 HydrophobicContact CE-CG2 3.81Å; M198-T230 HydrophobicContact SD-CG2 3.44Å; M198-T230 WeakPolarHBondContact SD-CG2 3.47Å; A222-T230 HydrophobicContact CB-CG2 4Å; Q227-T230 CarbonylContact O-C 3.59Å; Q227-T230 WeakPolarHBondContact O-CA 3.33Å; Q227-T230 WeakPolarHBondContact O-CB 3.31Å; Q227-T230 PolarHBondContact O-N 2.95Å; R228-T230 VanDerWaalsContact C-N 3.28Å; R228-T230 PolarHBondContact O-N 3.28Å; T230-L234 HydrophobicContact CG2-CD1 4.05Å; T230-L234 HydrophobicContact CG2-CG 4.36Å; T230-L234 VanDerWaalsContact O-CB 3.28Å; T230-L234 WeakPolarHBondContact O-CB 3.48Å; T230-L234 VanDerWaalsContact O-CG 3.31Å; T230-L234 WeakPolarHBondContact O-CG 3.42Å; T230-L234 PolarHBondContact O-N 3.17Å
231I89.6Confident88Confident0 Ų050.9 Ų50.90%025%0.247CC..Hα-helixtrans-62.8-46172.9-62.8162.8000109.8L219 A222 V223 Q227 R228 V235 Y264L219-I231 HydrophobicContact CD1-CG2 4.26Å; A222-I231 HydrophobicContact CB-CG1 3.92Å; V223-I231 HydrophobicContact CG2-CD1 4Å; V223-I231 HydrophobicContact CG2-CG1 4.09Å; V223-I231 HydrophobicContact CG2-CG2 4.46Å; Q227-I231 WeakPolarHBondContact O-CG1 3.48Å; Q227-I231 PolarHBondContact O-N 3.46Å; R228-I231 PolarHBondContact O-N 3.19Å; I231-V235 WeakPolarHBondContact O-CG2 3.36Å; I231-V235 PolarHBondContact O-N 3.01Å; I231-Y264 HydrophobicContact CB-CD1 4.35Å; I231-Y264 HydrophobicContact CB-CE1 4.05Å; I231-Y264 HydrophobicContact CG2-CD1 3.53Å; I231-Y264 HydrophobicContact CG2-CE1 3.7Å; I231-Y264 HydrophobicContact CG2-CG 4.38Å
232R87.7Confident87.7Confident116 Ų11650.9 Ų50.944%0.43825%0.248SC..Hα-helixtrans-60.3-56173.6-66.4-166.9-169.5-176.21.3111.5R228 L234 V235 E236 E263 Y264R228-R232 PolarHBondContact O-N 3.08Å; R228-R232 VanDerWaalsContact O-N 3.09Å; R232-L234 VanDerWaalsContact C-N 3.27Å; R232-L234 PolarHBondContact O-N 3.4Å; R232-V235 PolarHBondContact O-N 2.96Å; R232-E236 WeakPolarHBondContact O-CB 3.44Å; R232-E236 PolarHBondContact O-N 3.26Å; R232-E263 IonicContact CZ-OE1 3.83Å; R232-E263 IonicContact NE-OE1 2.67Å; R232-E263 IonicContact NH2-OE1 3.53Å; R232-E263 PolarHBondContact NH2-OE1 2.67Å; R232-Y264 HydrophobicContact CG-CE1 3.76Å; R232-Y264 PolarHBondContact NE-OH 2.99Å
233A90.1Very high87.4Confident6 Ų652.2 Ų52.25%0.0526%0.256CS..Hα-helixtrans-56.6-37-179.800000113.3V229 V235 D237 F238V229-A233 WeakPolarHBondContact O-CB 3.46Å; V229-A233 PolarHBondContact O-N 3Å; A233-V235 VanDerWaalsContact C-N 3.32Å; A233-V235 PolarHBondContact O-N 3.15Å; A233-D237 WeakPolarHBondContact O-CB 3.5Å; A233-D237 PolarHBondContact O-N 3.2Å; A233-D237 VanDerWaalsContact O-N 3.09Å; A233-F238 HydrophobicContact CB-CD2 4.46Å; A233-F238 HydrophobicContact CB-CE2 4.28Å; A233-F238 WeakPolarHBondContact O-CD2 3.46Å; A233-F238 PolarHBondContact O-N 3.28Å
234L88.5Confident87.2Confident0 Ų054.4 Ų54.40%027%0.268CS..Hα-helixtrans-62.2-37.2175.4-84.3170.1000113.3M198 V209 P218 L219 A222 T230 R232 F238 K239 A240M198-L234 HydrophobicContact CE-CD1 4Å; M198-L234 HydrophobicContact CE-CD2 3.38Å; M198-L234 HydrophobicContact CE-CG 3.54Å; V209-L234 HydrophobicContact CG1-CD2 3.72Å; P218-L234 HydrophobicContact CB-CD1 4.43Å; P218-L234 HydrophobicContact CB-CD2 4.48Å; L219-L234 HydrophobicContact CB-CD1 4.24Å; L219-L234 HydrophobicContact CD1-CB 4.07Å; L219-L234 HydrophobicContact CD1-CD1 4.11Å; A222-L234 HydrophobicContact CB-CD1 3.89Å; T230-L234 HydrophobicContact CG2-CD1 4.05Å; T230-L234 HydrophobicContact CG2-CG 4.36Å; T230-L234 VanDerWaalsContact O-CB 3.28Å; T230-L234 WeakPolarHBondContact O-CB 3.48Å; T230-L234 VanDerWaalsContact O-CG 3.31Å; T230-L234 WeakPolarHBondContact O-CG 3.42Å; T230-L234 PolarHBondContact O-N 3.17Å; R232-L234 VanDerWaalsContact C-N 3.27Å; R232-L234 PolarHBondContact O-N 3.4Å; L234-F238 HydrophobicContact CD2-CD2 4.32Å; L234-F238 CarbonylContact O-C 3.48Å; L234-K239 PolarHBondContact O-N 3.48Å; L234-K239 VanDerWaalsContact O-N 3.14Å; L234-A240 HydrophobicContact CB-CB 4.16Å; L234-A240 HydrophobicContact CD2-CB 4.4Å; L234-A240 WeakPolarHBondContact O-CB 3.28Å; L234-A240 PolarHBondContact O-N 3.42Å
235V86.9Confident87.1Confident32 Ų3256 Ų5619%0.19427%0.273CS..Hα-helixtrans-91.5-43.1-175.1177.60000111.7L219 I231 R232 A233 K239 F267 L268L219-V235 HydrophobicContact CD1-CG2 4.09Å; L219-V235 HydrophobicContact CD2-CG2 4.29Å; I231-V235 WeakPolarHBondContact O-CG2 3.36Å; I231-V235 PolarHBondContact O-N 3.01Å; R232-V235 PolarHBondContact O-N 2.96Å; A233-V235 VanDerWaalsContact C-N 3.32Å; A233-V235 PolarHBondContact O-N 3.15Å; V235-K239 WeakPolarHBondContact O-CA 3.47Å; V235-F267 HydrophobicContact CB-CD1 4.46Å; V235-F267 HydrophobicContact CB-CE1 3.47Å; V235-F267 VanDerWaalsContact CB-CE1 3.47Å; V235-F267 HydrophobicContact CB-CZ 3.63Å; V235-F267 HydrophobicContact CG1-CD1 4.34Å; V235-F267 HydrophobicContact CG1-CE1 3.65Å; V235-F267 HydrophobicContact CG1-CE2 4.27Å; V235-F267 HydrophobicContact CG1-CZ 3.62Å; V235-F267 HydrophobicContact CG2-CD1 4.48Å; V235-F267 HydrophobicContact CG2-CE1 3.78Å; V235-F267 HydrophobicContact CG2-CZ 4.44Å; V235-L268 HydrophobicContact CG2-CD2 3.86Å
236E86Confident87.1Confident110 Ų11053.2 Ų53.251%0.51426%0.26SS..THydrogen-bonded Turntrans-76.5-66.5179.4-76.5156.7-168.500111.7R232 F267R232-E236 WeakPolarHBondContact O-CB 3.44Å; R232-E236 PolarHBondContact O-N 3.26Å; E236-F267 HydrophobicContact CG-CE2 4.07Å; E236-F267 HydrophobicContact CG-CZ 3.87Å; E236-F267 VanDerWaalsContact OE1-CE2 3.23Å; E236-F267 WeakPolarHBondContact OE1-CE2 3.49Å; E236-F267 WeakPolarHBondContact OE1-CZ 3.29Å
237D86.8Confident87Confident92 Ų9259.6 Ų59.649%0.49229%0.285SS..THydrogen-bonded Turntrans-70.5-48.1-175-62.4-13.3000111.5A233A233-D237 WeakPolarHBondContact O-CB 3.5Å; A233-D237 PolarHBondContact O-N 3.2Å; A233-D237 VanDerWaalsContact O-N 3.09Å
238F85.7Confident86.8Confident17 Ų1760.5 Ų60.58%0.07530%0.298CS..SBendtrans-100.1-3.1-167.9-56.3-57.6000115M198 K199 I202 N203 V209 A233 L234 A240M198-F238 HydrophobicContact CB-CE2 3.95Å; M198-F238 HydrophobicContact CB-CZ 4.08Å; M198-F238 HydrophobicContact CE-CD2 4.4Å; M198-F238 HydrophobicContact CE-CE2 4.26Å; K199-F238 HydrophobicContact CB-CZ 4.42Å; K199-F238 HydrophobicContact CG-CE1 4.24Å; K199-F238 HydrophobicContact CG-CZ 3.65Å; I202-F238 HydrophobicContact CB-CD1 3.92Å; I202-F238 HydrophobicContact CB-CE1 3.87Å; I202-F238 HydrophobicContact CD1-CB 4.02Å; I202-F238 HydrophobicContact CD1-CD1 3.53Å; I202-F238 HydrophobicContact CD1-CD2 3.73Å; I202-F238 HydrophobicContact CD1-CE1 3.77Å; I202-F238 HydrophobicContact CD1-CE2 3.98Å; I202-F238 HydrophobicContact CD1-CG 3.49Å; I202-F238 VanDerWaalsContact CD1-CG 3.49Å; I202-F238 HydrophobicContact CD1-CZ 3.97Å; I202-F238 HydrophobicContact CG1-CD1 4.33Å; I202-F238 HydrophobicContact CG1-CE1 4.4Å; I202-F238 HydrophobicContact CG2-CD1 3.62Å; I202-F238 HydrophobicContact CG2-CE1 4.04Å; I202-F238 HydrophobicContact CG2-CG 4.43Å; N203-F238 WeakPolarHBondContact OD1-CE1 3.49Å; V209-F238 HydrophobicContact CG1-CB 4.04Å; V209-F238 HydrophobicContact CG2-CB 4.23Å; A233-F238 HydrophobicContact CB-CD2 4.46Å; A233-F238 HydrophobicContact CB-CE2 4.28Å; A233-F238 WeakPolarHBondContact O-CD2 3.46Å; A233-F238 PolarHBondContact O-N 3.28Å; L234-F238 HydrophobicContact CD2-CD2 4.32Å; L234-F238 CarbonylContact O-C 3.48Å; F238-A240 VanDerWaalsContact C-N 3.29Å; F238-A240 PolarHBondContact O-N 3.44Å
239K85.1Confident86.6Confident171 Ų17156.1 Ų56.174%0.74329%0.293SS*.  trans52.538.8175-56178.9-177175.10114.7L234 V235L234-K239 PolarHBondContact O-N 3.48Å; L234-K239 VanDerWaalsContact O-N 3.14Å; V235-K239 WeakPolarHBondContact O-CA 3.47Å
240A86.8Confident86.4Confident5 Ų556.9 Ų56.94%0.04129%0.286CS..  trans-58.8142174.800000111.6V209 L219 L234 F238 P242V209-A240 HydrophobicContact CG1-CB 3.62Å; L219-A240 HydrophobicContact CD2-CB 4.35Å; L234-A240 HydrophobicContact CB-CB 4.16Å; L234-A240 HydrophobicContact CD2-CB 4.4Å; L234-A240 WeakPolarHBondContact O-CB 3.28Å; L234-A240 PolarHBondContact O-N 3.42Å; F238-A240 VanDerWaalsContact C-N 3.29Å; F238-A240 PolarHBondContact O-N 3.44Å; A240-P242 WeakPolarHBondContact O-CD 3.4Å
241D84.8Confident86.1Confident60 Ų6059 Ų5932%0.32130%0.295SS..  trans-78.3110.8178.2-87.4-68.5000111.6N210 T243 L244 R275N210-D241 PolarHBondContact ND2-OD2 3.1Å; N210-D241 PolarHBondContact OD1-N 3.07Å; D241-T243 PolarHBondContact O-N 3.29Å; D241-T243 VanDerWaalsContact O-N 3.16Å; D241-L244 HydrophobicContact CB-CD1 3.94Å; D241-L244 HydrophobicContact CB-CG 3.93Å; D241-R275 IonicContact OD1-NH2 3.52Å
242P84.5Confident85.8Confident19 Ų1959 Ų5912%0.12330%0.295CS..THydrogen-bonded Turntrans-73.5-4.2174.134.1-37.8000112.5L219 A240 P252 L268L219-P242 HydrophobicContact CD2-CB 4.22Å; A240-P242 WeakPolarHBondContact O-CD 3.4Å; P242-P252 WeakPolarHBondContact O-CD 3.48Å; P242-L268 HydrophobicContact CB-CD2 4.12Å
243T83.8Confident85.6Confident28 Ų2855.7 Ų55.717%0.17228%0.282CS..THydrogen-bonded Turntrans-89.9-3.5-175.669.40000114.2D241 F251 R275D241-T243 PolarHBondContact O-N 3.29Å; D241-T243 VanDerWaalsContact O-N 3.16Å; T243-F251 WeakPolarHBondContact O-CE1 3.25Å; T243-R275 VanDerWaalsContact OG1-CZ 3.3Å; T243-R275 PolarHBondContact OG1-NH1 3.01Å; T243-R275 VanDerWaalsContact OG1-NH1 3.11Å; T243-R275 PolarHBondContact OG1-NH2 3.38Å
244L85.1Confident85.2Confident46 Ų4659.2 Ų59.224%0.24130%0.299CS..  trans-80.5131.6176.8-64.3172.8000109.5N210 T217 H220 D241 P252N210-L244 HydrophobicContact CB-CD1 3.72Å; T217-L244 HydrophobicContact CG2-CB 4.18Å; T217-L244 HydrophobicContact CG2-CD1 3.9Å; H220-L244 PolarHBondContact CE1-O 3.36Å; H220-L244 PolarHBondContact NE2-O 3.44Å; D241-L244 HydrophobicContact CB-CD1 3.94Å; D241-L244 HydrophobicContact CB-CG 3.93Å; L244-P252 WeakPolarHBondContact O-CD 3.35Å
245M86.5Confident84.9Confident88 Ų8861.1 Ų61.143%0.43331%0.309SS..  trans-93.7149172.6-62.6176.7-68.400111.1R212 Y250 F251R212-M245 PolarHBondContact NH1-O 3.28Å; R212-M245 PolarHBondContact NH2-O 3.22Å; M245-Y250 CarbonylContact C-O 3.4Å; M245-Y250 VanDerWaalsContact CA-O 3.28Å; M245-Y250 WeakPolarHBondContact CA-O 3.36Å; M245-F251 HydrophobicContact CG-CD1 3.79Å; M245-F251 HydrophobicContact CG-CD2 3.97Å; M245-F251 HydrophobicContact CG-CE1 3.52Å; M245-F251 HydrophobicContact CG-CE2 3.7Å; M245-F251 HydrophobicContact CG-CG 4.02Å; M245-F251 HydrophobicContact CG-CZ 3.47Å; M245-F251 VanDerWaalsContact CG-CZ 3.47Å; M245-F251 HydrophobicContact SD-CD2 4.4Å; M245-F251 HydrophobicContact SD-CE1 4.23Å; M245-F251 HydrophobicContact SD-CE2 3.66Å; M245-F251 HydrophobicContact SD-CZ 3.57Å; M245-F251 VanDerWaalsContact SD-CZ 3.57Å
246D86.9Confident84.7Confident8 Ų860 Ų604%0.04330%0.302CS..  trans-73.3-173.7168.773.710.3000112.8G215 R216 H220 S248 G249 Y250G215-D246 WeakPolarHBondContact O-CA 3.45Å; R216-D246 HydrophobicContact CG-CB 3.89Å; R216-D246 IonicContact NE-OD2 2.68Å; H220-D246 PolarHBondContact NE2-N 3.02Å; D246-S248 VanDerWaalsContact C-N 3.28Å; D246-S248 PolarHBondContact O-N 3.04Å; D246-S248 WeakPolarHBondContact OD1-CA 3.34Å; D246-S248 WeakPolarHBondContact OD1-CB 3.4Å; D246-S248 PolarHBondContact OD1-N 2.71Å; D246-S248 PolarHBondContact OD1-OG 3.24Å; D246-S248 PolarHBondContact OD2-OG 2.88Å; D246-G249 PolarHBondContact O-N 3.1Å; D246-G249 PolarHBondContact OD1-N 2.92Å; D246-G249 VanDerWaalsContact OD1-N 3.07Å; D246-Y250 PolarHBondContact N-O 2.98Å; D246-Y250 PolarHBondContact OD1-N 3.07Å
247F86.5Confident84.2Confident161 Ų16159.3 Ų59.371%0.70630%0.299SS*.THydrogen-bonded Turntrans-73.1-18.7178.7-72.3-29.4000114R214 G249R214-F247 VanDerWaalsContact C-CD2 3.46Å; R214-F247 VanDerWaalsContact C-CE2 3.43Å; R214-F247 WeakPolarHBondContact O-CD2 3.33Å; F247-G249 VanDerWaalsContact C-N 3.28Å
248S83.8Confident83.5Confident78 Ų7860.8 Ų60.855%0.54531%0.306SS..THydrogen-bonded Turntrans-81.6-7.5171.419.50000112.8D246 Y250D246-S248 VanDerWaalsContact C-N 3.28Å; D246-S248 PolarHBondContact O-N 3.04Å; D246-S248 WeakPolarHBondContact OD1-CA 3.34Å; D246-S248 WeakPolarHBondContact OD1-CB 3.4Å; D246-S248 PolarHBondContact OD1-N 2.71Å; D246-S248 PolarHBondContact OD1-OG 3.24Å; D246-S248 PolarHBondContact OD2-OG 2.88Å; S248-Y250 VanDerWaalsContact C-N 3.34Å
249G83.4Confident82.8Confident38 Ų3866 Ų6639%0.39234%0.335SS..SBendtrans82.211.5-177.600000113.8D246 F247D246-G249 PolarHBondContact O-N 3.1Å; D246-G249 PolarHBondContact OD1-N 2.92Å; D246-G249 VanDerWaalsContact OD1-N 3.07Å; F247-G249 VanDerWaalsContact C-N 3.28Å
250Y84.9Confident82.2Confident119 Ų11957.9 Ų57.947%0.46730%0.3SS..  trans-81.6140172.6-66.9-67.3000110.3H220 M245 D246 S248 M254 L255H220-Y250 PolarHBondContact NE2-O 3.19Å; M245-Y250 CarbonylContact C-O 3.4Å; M245-Y250 VanDerWaalsContact CA-O 3.28Å; M245-Y250 WeakPolarHBondContact CA-O 3.36Å; D246-Y250 PolarHBondContact N-O 2.98Å; D246-Y250 PolarHBondContact OD1-N 3.07Å; S248-Y250 VanDerWaalsContact C-N 3.34Å; Y250-M254 HydrophobicContact CD1-CB 3.89Å; Y250-M254 HydrophobicContact CD1-SD 3.83Å; Y250-L255 HydrophobicContact CD2-CD2 4.2Å; Y250-L255 HydrophobicContact CG-CD2 4.1Å
251F83.9Confident81.5Confident45 Ų4561.3 Ų61.320%0.19731%0.314CS..  trans-83160164.7-67.4-90.9000109.8T243 M245 Y253 M254T243-F251 WeakPolarHBondContact O-CE1 3.25Å; M245-F251 HydrophobicContact CG-CD1 3.79Å; M245-F251 HydrophobicContact CG-CD2 3.97Å; M245-F251 HydrophobicContact CG-CE1 3.52Å; M245-F251 HydrophobicContact CG-CE2 3.7Å; M245-F251 HydrophobicContact CG-CG 4.02Å; M245-F251 HydrophobicContact CG-CZ 3.47Å; M245-F251 VanDerWaalsContact CG-CZ 3.47Å; M245-F251 HydrophobicContact SD-CD2 4.4Å; M245-F251 HydrophobicContact SD-CE1 4.23Å; M245-F251 HydrophobicContact SD-CE2 3.66Å; M245-F251 HydrophobicContact SD-CZ 3.57Å; M245-F251 VanDerWaalsContact SD-CZ 3.57Å; F251-Y253 VanDerWaalsContact C-N 3.28Å; F251-Y253 HydrophobicContact CB-CD1 3.52Å; F251-Y253 HydrophobicContact CB-CE1 3.52Å; F251-Y253 HydrophobicContact CD2-CE1 4.11Å; F251-Y253 HydrophobicContact CG-CD1 4.32Å; F251-Y253 AromaticContact CG-CE1 3.89Å; F251-Y253 HydrophobicContact CG-CE1 3.89Å; F251-Y253 PolarHBondContact O-N 2.93Å; F251-M254 HydrophobicContact CB-CG 4.34Å; F251-M254 HydrophobicContact CB-SD 4.47Å; F251-M254 HydrophobicContact CD2-CE 3.87Å; F251-M254 HydrophobicContact CD2-SD 4.01Å; F251-M254 HydrophobicContact CE2-CE 4.49Å; F251-M254 WeakPolarHBondContact O-CB 3.48Å; F251-M254 PolarHBondContact O-N 3.34Å
252P84Confident80.8Confident1 Ų164.2 Ų64.21%0.00633%0.334CS..G310 helixtrans-51.6-44.4178.1-27.434.2000113L219 V223 P242 L244 M254 L255L219-P252 HydrophobicContact CD2-CB 4.23Å; L219-P252 HydrophobicContact CD2-CG 4Å; L219-P252 HydrophobicContact CG-CB 4.06Å; L219-P252 HydrophobicContact CG-CG 4.15Å; V223-P252 WeakPolarHBondContact CG1-O 3.25Å; V223-P252 HydrophobicContact CG2-CB 4.3Å; P242-P252 WeakPolarHBondContact O-CD 3.48Å; L244-P252 WeakPolarHBondContact O-CD 3.35Å; P252-M254 PolarHBondContact O-N 3.29Å; P252-L255 PolarHBondContact O-N 3.07Å
253Y82.8Confident80.4Confident45 Ų4566.4 Ų66.418%0.17634%0.342CS..G310 helixtrans-63.1-26.1-179.581.8-91.6000114.1F251 L255 L256 T269 R272F251-Y253 VanDerWaalsContact C-N 3.28Å; F251-Y253 HydrophobicContact CB-CD1 3.52Å; F251-Y253 HydrophobicContact CB-CE1 3.52Å; F251-Y253 HydrophobicContact CD2-CE1 4.11Å; F251-Y253 HydrophobicContact CG-CD1 4.32Å; F251-Y253 AromaticContact CG-CE1 3.89Å; F251-Y253 HydrophobicContact CG-CE1 3.89Å; F251-Y253 PolarHBondContact O-N 2.93Å; Y253-L255 VanDerWaalsContact C-N 3.25Å; Y253-L255 PolarHBondContact O-N 2.82Å; Y253-L256 WeakPolarHBondContact O-CB 3.2Å; Y253-L256 WeakPolarHBondContact O-CD1 3.24Å; Y253-L256 WeakPolarHBondContact O-CG 3.42Å; Y253-L256 PolarHBondContact O-N 3.12Å; Y253-T269 HydrophobicContact CD1-CG2 4.45Å; Y253-T269 HydrophobicContact CD2-CG2 4.33Å; Y253-T269 HydrophobicContact CE2-CG2 4.49Å; Y253-T269 HydrophobicContact CG-CG2 4.3Å; Y253-R272 PolarHBondContact OH-NH1 3.3Å
254M82.3Confident79.9Confident81 Ų8165.2 Ų65.240%0.39934%0.335SS..G310 helixtrans-73.7-20.6178.1-63.5179.8166.500112.3Y250 F251 P252Y250-M254 HydrophobicContact CD1-CB 3.89Å; Y250-M254 HydrophobicContact CD1-SD 3.83Å; F251-M254 HydrophobicContact CB-CG 4.34Å; F251-M254 HydrophobicContact CB-SD 4.47Å; F251-M254 HydrophobicContact CD2-CE 3.87Å; F251-M254 HydrophobicContact CD2-SD 4.01Å; F251-M254 HydrophobicContact CE2-CE 4.49Å; F251-M254 WeakPolarHBondContact O-CB 3.48Å; F251-M254 PolarHBondContact O-N 3.34Å; P252-M254 PolarHBondContact O-N 3.29Å
255L82.4Confident79.2Confident40 Ų4067.6 Ų67.621%0.20935%0.345CS..G310 helixtrans-92.63.4178.3-59176.4000112.9H220 V223 V224 Y250 P252 Y253H220-L255 HydrophobicContact CB-CD1 4.34Å; V223-L255 VanDerWaalsContact CG1-C 3.48Å; V223-L255 HydrophobicContact CG1-CB 4.01Å; V223-L255 WeakPolarHBondContact CG1-O 3.12Å; V224-L255 HydrophobicContact CG2-CB 4.01Å; V224-L255 HydrophobicContact CG2-CD1 3.86Å; V224-L255 HydrophobicContact CG2-CG 4.44Å; Y250-L255 HydrophobicContact CD2-CD2 4.2Å; Y250-L255 HydrophobicContact CG-CD2 4.1Å; P252-L255 PolarHBondContact O-N 3.07Å; Y253-L255 VanDerWaalsContact C-N 3.25Å; Y253-L255 PolarHBondContact O-N 2.82Å
256L81.9Confident78.4Confident7 Ų766.4 Ų66.44%0.03734%0.343CS..  trans-65136.3176-72.9166.5000110.8V223 Y253 L260 K261 Y264 L268V223-L256 HydrophobicContact CG1-CB 4.4Å; V223-L256 HydrophobicContact CG1-CD2 3.71Å; V223-L256 HydrophobicContact CG1-CG 3.92Å; V223-L256 HydrophobicContact CG2-CD2 4.23Å; Y253-L256 WeakPolarHBondContact O-CB 3.2Å; Y253-L256 WeakPolarHBondContact O-CD1 3.24Å; Y253-L256 WeakPolarHBondContact O-CG 3.42Å; Y253-L256 PolarHBondContact O-N 3.12Å; L256-L260 HydrophobicContact CD2-CB 3.95Å; L256-K261 HydrophobicContact CB-CG 3.74Å; L256-K261 HydrophobicContact CD1-CG 4.42Å; L256-K261 WeakPolarHBondContact O-CE 3.14Å; L256-Y264 HydrophobicContact CD2-CG 4.48Å; L256-L268 HydrophobicContact CD1-CD1 4.23Å; L256-L268 HydrophobicContact CD2-CD1 4.49Å
257E77.2Confident77.7Confident97 Ų9768.6 Ų68.645%0.45335%0.353SS..  trans-59.7149.7162.5-74.6177.3-143.500110.9S226 N259 L260 K261S226-E257 WeakPolarHBondContact CB-OE1 3.28Å; S226-E257 PolarHBondContact OG-OE1 3.11Å; E257-N259 PolarHBondContact O-N 3.09Å; E257-N259 VanDerWaalsContact O-N 3.07Å; E257-L260 PolarHBondContact O-N 2.95Å; E257-K261 PolarHBondContact O-N 3.23Å
258N71.2Confident77Confident122 Ų12261.2 Ų61.265%0.65232%0.321SS*.Hα-helixtrans-54.5-33.7-177.4-68.3-20.7000113L260 K261N258-L260 VanDerWaalsContact C-N 3.28Å; N258-L260 PolarHBondContact O-N 3.37Å; N258-K261 PolarHBondContact OD1-NZ 3.1Å
259N70.8Confident76.2Confident126 Ų12658.9 Ų58.967%0.67430%0.303SS*.Hα-helixtrans-71.6-17.5178.9-61.6-23.6000114.1E257E257-N259 PolarHBondContact O-N 3.09Å; E257-N259 VanDerWaalsContact O-N 3.07Å
260L72.6Confident75.2Confident2 Ų262.1 Ų62.11%0.0131%0.308CS..Hα-helixtrans-105.9-14.4-179.5-62-174.6000113.4S226 R228 L256 E257 N258 T262 E263 Y264S226-L260 VanDerWaalsContact OG-CD1 3.31Å; S226-L260 WeakPolarHBondContact OG-CD1 3.45Å; R228-L260 HydrophobicContact CG-CD2 3.92Å; L256-L260 HydrophobicContact CD2-CB 3.95Å; E257-L260 PolarHBondContact O-N 2.95Å; N258-L260 VanDerWaalsContact C-N 3.28Å; N258-L260 PolarHBondContact O-N 3.37Å; L260-T262 PolarHBondContact O-N 3.11Å; L260-E263 PolarHBondContact O-N 3.27Å; L260-Y264 HydrophobicContact CB-CD2 4.13Å; L260-Y264 HydrophobicContact CD2-CD2 4.48Å; L260-Y264 HydrophobicContact CD2-CE2 4.3Å; L260-Y264 WeakPolarHBondContact O-CD2 3.42Å; L260-Y264 PolarHBondContact O-N 3.16Å
261K71.5Confident74Confident76 Ų7657.6 Ų57.633%0.3330%0.298SS..Hα-helixtrans-56.7-48-180-73.9176.4-171.31700111.8L256 E257 N258 E263 Y264 E265L256-K261 HydrophobicContact CB-CG 3.74Å; L256-K261 HydrophobicContact CD1-CG 4.42Å; L256-K261 WeakPolarHBondContact O-CE 3.14Å; E257-K261 PolarHBondContact O-N 3.23Å; N258-K261 PolarHBondContact OD1-NZ 3.1Å; K261-E263 VanDerWaalsContact C-N 3.28Å; K261-E263 PolarHBondContact O-N 2.9Å; K261-Y264 PolarHBondContact O-N 3.22Å; K261-E265 WeakPolarHBondContact O-CA 3.25Å; K261-E265 WeakPolarHBondContact O-CB 3.45Å; K261-E265 PolarHBondContact O-N 3.17Å
262T70.9Confident72.9Confident121 Ų12161.6 Ų61.674%0.74231%0.311SS*.Hα-helixtrans-57.2-36.9-178.649.50000114L260L260-T262 PolarHBondContact O-N 3.11Å
263E75.2Confident71.7Confident65 Ų6565.4 Ų65.430%0.30433%0.331SS..Hα-helixtrans-84.1-44.9-179.3-170.6-172155.400112R232 L260 K261R232-E263 IonicContact CZ-OE1 3.83Å; R232-E263 IonicContact NE-OE1 2.67Å; R232-E263 IonicContact NH2-OE1 3.53Å; R232-E263 PolarHBondContact NH2-OE1 2.67Å; L260-E263 PolarHBondContact O-N 3.27Å; K261-E263 VanDerWaalsContact C-N 3.28Å; K261-E263 PolarHBondContact O-N 2.9Å
264Y74Confident70.6Confident3 Ų367.9 Ų67.91%0.01234%0.344CS..Hα-helixtrans-101.9-14.7-168.3-67.9-85.5000115.1R228 I231 R232 L256 L260 K261 F267 L268R228-Y264 HydrophobicContact CG-CE2 4.33Å; R228-Y264 PolarHBondContact O-OH 3.14Å; I231-Y264 HydrophobicContact CB-CD1 4.35Å; I231-Y264 HydrophobicContact CB-CE1 4.05Å; I231-Y264 HydrophobicContact CG2-CD1 3.53Å; I231-Y264 HydrophobicContact CG2-CE1 3.7Å; I231-Y264 HydrophobicContact CG2-CG 4.38Å; R232-Y264 HydrophobicContact CG-CE1 3.76Å; R232-Y264 PolarHBondContact NE-OH 2.99Å; L256-Y264 HydrophobicContact CD2-CG 4.48Å; L260-Y264 HydrophobicContact CB-CD2 4.13Å; L260-Y264 HydrophobicContact CD2-CD2 4.48Å; L260-Y264 HydrophobicContact CD2-CE2 4.3Å; L260-Y264 WeakPolarHBondContact O-CD2 3.42Å; L260-Y264 PolarHBondContact O-N 3.16Å; K261-Y264 PolarHBondContact O-N 3.22Å; Y264-F267 AromaticContact CD1-CD1 4Å; Y264-F267 HydrophobicContact CD1-CD1 4Å; Y264-F267 PolarHBondContact O-N 3.49Å; Y264-L268 WeakPolarHBondContact O-CB 3.48Å; Y264-L268 WeakPolarHBondContact O-CG 3.32Å; Y264-L268 PolarHBondContact O-N 3.01Å
265E70.4Confident69.3Low97 Ų9770.8 Ų70.845%0.45335%0.351SS..Hα-helixtrans-57.1-53.9173.4179.6172.5-156.200112.3K261 F267 L268 T269K261-E265 WeakPolarHBondContact O-CA 3.25Å; K261-E265 WeakPolarHBondContact O-CB 3.45Å; K261-E265 PolarHBondContact O-N 3.17Å; E265-F267 PolarHBondContact O-N 3.41Å; E265-L268 PolarHBondContact O-N 3.35Å; E265-T269 HydrophobicContact CG-CG2 4.07Å; E265-T269 VanDerWaalsContact O-CB 3.25Å; E265-T269 WeakPolarHBondContact O-CB 3.35Å; E265-T269 WeakPolarHBondContact O-CG2 3.48Å; E265-T269 PolarHBondContact O-N 3.4Å; E265-T269 PolarHBondContact O-OG1 2.89Å
266P69.5Low68.6Low62 Ų6272.7 Ų72.740%0.40336%0.361SS..Hα-helixtrans-58.2-50.9176.321.8-32.2000110.3L268 T269 H270P266-L268 PolarHBondContact O-N 3.38Å; P266-T269 WeakPolarHBondContact CA-OG1 3.13Å; P266-T269 PolarHBondContact O-N 3.06Å; P266-T269 PolarHBondContact O-OG1 3.41Å; P266-H270 PolarHBondContact O-N 3.21Å; P266-H270 PolarHBondContact O-ND1 2.83Å
267F71.8Confident67.5Low55 Ų5578.3 Ų78.324%0.24138%0.381CS..Hα-helixtrans-53.5-46-177.5-173.1-110.8000113.5V235 E236 Y264 E265V235-F267 HydrophobicContact CB-CD1 4.46Å; V235-F267 HydrophobicContact CB-CE1 3.47Å; V235-F267 VanDerWaalsContact CB-CE1 3.47Å; V235-F267 HydrophobicContact CB-CZ 3.63Å; V235-F267 HydrophobicContact CG1-CD1 4.34Å; V235-F267 HydrophobicContact CG1-CE1 3.65Å; V235-F267 HydrophobicContact CG1-CE2 4.27Å; V235-F267 HydrophobicContact CG1-CZ 3.62Å; V235-F267 HydrophobicContact CG2-CD1 4.48Å; V235-F267 HydrophobicContact CG2-CE1 3.78Å; V235-F267 HydrophobicContact CG2-CZ 4.44Å; E236-F267 HydrophobicContact CG-CE2 4.07Å; E236-F267 HydrophobicContact CG-CZ 3.87Å; E236-F267 VanDerWaalsContact OE1-CE2 3.23Å; E236-F267 WeakPolarHBondContact OE1-CE2 3.49Å; E236-F267 WeakPolarHBondContact OE1-CZ 3.29Å; Y264-F267 AromaticContact CD1-CD1 4Å; Y264-F267 HydrophobicContact CD1-CD1 4Å; Y264-F267 PolarHBondContact O-N 3.49Å; E265-F267 PolarHBondContact O-N 3.41Å
268L72.7Confident66.9Low6 Ų678.6 Ų78.63%0.03139%0.385CS..Hα-helixtrans-83.2-23.4180-63.8174.9000113.7L219 V223 V235 P242 L256 Y264 E265 P266L219-L268 HydrophobicContact CD1-CD2 4.44Å; L219-L268 HydrophobicContact CD2-CD2 4.25Å; V223-L268 HydrophobicContact CG2-CD1 4.29Å; V235-L268 HydrophobicContact CG2-CD2 3.86Å; P242-L268 HydrophobicContact CB-CD2 4.12Å; L256-L268 HydrophobicContact CD1-CD1 4.23Å; L256-L268 HydrophobicContact CD2-CD1 4.49Å; Y264-L268 WeakPolarHBondContact O-CB 3.48Å; Y264-L268 WeakPolarHBondContact O-CG 3.32Å; Y264-L268 PolarHBondContact O-N 3.01Å; E265-L268 PolarHBondContact O-N 3.35Å; P266-L268 PolarHBondContact O-N 3.38Å
269T67.2Low66.6Low28 Ų2875.1 Ų75.117%0.17237%0.373CS..Hα-helixtrans-84.2-16177.258.60000114.1Y253 E265 P266 G271 R272 L273Y253-T269 HydrophobicContact CD1-CG2 4.45Å; Y253-T269 HydrophobicContact CD2-CG2 4.33Å; Y253-T269 HydrophobicContact CE2-CG2 4.49Å; Y253-T269 HydrophobicContact CG-CG2 4.3Å; E265-T269 HydrophobicContact CG-CG2 4.07Å; E265-T269 VanDerWaalsContact O-CB 3.25Å; E265-T269 WeakPolarHBondContact O-CB 3.35Å; E265-T269 WeakPolarHBondContact O-CG2 3.48Å; E265-T269 PolarHBondContact O-N 3.4Å; E265-T269 PolarHBondContact O-OG1 2.89Å; P266-T269 WeakPolarHBondContact CA-OG1 3.13Å; P266-T269 PolarHBondContact O-N 3.06Å; P266-T269 PolarHBondContact O-OG1 3.41Å; T269-G271 PolarHBondContact O-N 2.67Å; T269-G271 VanDerWaalsContact O-N 3.11Å; T269-R272 WeakPolarHBondContact O-CA 3.42Å; T269-R272 WeakPolarHBondContact O-CB 3.06Å; T269-R272 PolarHBondContact O-N 3.32Å; T269-L273 PolarHBondContact O-N 3.12Å; T269-L273 VanDerWaalsContact O-N 3.1Å
270H62.9Low66.2Low106 Ų10674.4 Ų74.449%0.49137%0.369SS..Hα-helixtrans-50.5-37.8177-90.987.3000113.3P266 R272 L273 Q274P266-H270 PolarHBondContact O-N 3.21Å; P266-H270 PolarHBondContact O-ND1 2.83Å; H270-R272 VanDerWaalsContact C-N 3.31Å; H270-R272 PolarHBondContact O-N 2.93Å; H270-L273 PolarHBondContact O-N 2.94Å; H270-Q274 PolarHBondContact O-N 2.87Å
271G60.1Low66Low25 Ų2581.8 Ų81.826%0.25840%0.401SS..Hα-helixtrans-63.7-32.1175.800000114T269 R275T269-G271 PolarHBondContact O-N 2.67Å; T269-G271 VanDerWaalsContact O-N 3.11Å; G271-R275 PolarHBondContact O-N 3.23Å; G271-R275 VanDerWaalsContact O-N 3.17Å
272R59.3Low65.7Low128 Ų12882.7 Ų82.748%0.48341%0.412SS..Hα-helixtrans-77.2-43.2176.5-170.2175.4-178.3173.3-0.7111.1Y253 T269 H270 Q274 R275 I276Y253-R272 PolarHBondContact OH-NH1 3.3Å; T269-R272 WeakPolarHBondContact O-CA 3.42Å; T269-R272 WeakPolarHBondContact O-CB 3.06Å; T269-R272 PolarHBondContact O-N 3.32Å; H270-R272 VanDerWaalsContact C-N 3.31Å; H270-R272 PolarHBondContact O-N 2.93Å; R272-Q274 VanDerWaalsContact C-N 3.31Å; R272-Q274 PolarHBondContact O-N 3.46Å; R272-R275 PolarHBondContact O-N 3.21Å; R272-I276 HydrophobicContact CG-CD1 3.99Å; R272-I276 WeakPolarHBondContact O-CB 3.23Å; R272-I276 WeakPolarHBondContact O-CG1 3.42Å; R272-I276 PolarHBondContact O-N 3.19Å
273L59.1Low65Low81 Ų8183.7 Ų83.742%0.42441%0.406SS..Hα-helixtrans-60.9-38.2173.8-81.5168.9000112T269 H270 R277T269-L273 PolarHBondContact O-N 3.12Å; T269-L273 VanDerWaalsContact O-N 3.1Å; H270-L273 PolarHBondContact O-N 2.94Å; L273-R277 VanDerWaalsContact O-CB 3.31Å; L273-R277 WeakPolarHBondContact O-CB 3.48Å; L273-R277 VanDerWaalsContact O-CG 3.25Å; L273-R277 WeakPolarHBondContact O-CG 3.38Å; L273-R277 PolarHBondContact O-N 2.84Å
274Q59.8Low64.3Low97 Ų9788.1 Ų88.145%0.45343%0.425SS..Hα-helixtrans-70.4-39.4174.6-71.2-67.133.100113.2H270 R272 I276 R277 I278H270-Q274 PolarHBondContact O-N 2.87Å; R272-Q274 VanDerWaalsContact C-N 3.31Å; R272-Q274 PolarHBondContact O-N 3.46Å; Q274-I276 PolarHBondContact O-N 2.97Å; Q274-R277 PolarHBondContact O-N 3.21Å; Q274-I278 WeakPolarHBondContact O-CB 3.2Å; Q274-I278 WeakPolarHBondContact O-CD1 3.21Å; Q274-I278 WeakPolarHBondContact O-CG1 3.2Å; Q274-I278 PolarHBondContact O-N 2.8Å
275R56.1Low63.3Low143 Ų14391.2 Ų91.254%0.5445%0.451SS..Hα-helixtrans-64-39.7173.2-74.2-173.1-175.5166.19.8112.5D241 T243 G271 R272 I278 A279D241-R275 IonicContact OD1-NH2 3.52Å; T243-R275 VanDerWaalsContact OG1-CZ 3.3Å; T243-R275 PolarHBondContact OG1-NH1 3.01Å; T243-R275 VanDerWaalsContact OG1-NH1 3.11Å; T243-R275 PolarHBondContact OG1-NH2 3.38Å; G271-R275 PolarHBondContact O-N 3.23Å; G271-R275 VanDerWaalsContact O-N 3.17Å; R272-R275 PolarHBondContact O-N 3.21Å; R275-I278 PolarHBondContact O-N 3.21Å; R275-A279 VanDerWaalsContact O-CB 3.31Å; R275-A279 WeakPolarHBondContact O-CB 3.44Å; R275-A279 PolarHBondContact O-N 3.36Å
276I65.8Low62.3Low80 Ų8089.2 Ų89.241%0.4145%0.447SS..Hα-helixtrans-65.9-44.3174.2-67.5169.4000110.5R272 Q274 I278 A279 L280R272-I276 HydrophobicContact CG-CD1 3.99Å; R272-I276 WeakPolarHBondContact O-CB 3.23Å; R272-I276 WeakPolarHBondContact O-CG1 3.42Å; R272-I276 PolarHBondContact O-N 3.19Å; Q274-I276 PolarHBondContact O-N 2.97Å; I276-I278 PolarHBondContact O-N 3.49Å; I276-A279 PolarHBondContact O-N 3.4Å; I276-L280 HydrophobicContact CG2-CD1 3.69Å; I276-L280 HydrophobicContact CG2-CG 4.16Å; I276-L280 VanDerWaalsContact O-CB 3.28Å; I276-L280 WeakPolarHBondContact O-CB 3.21Å; I276-L280 VanDerWaalsContact O-CG 3.23Å; I276-L280 WeakPolarHBondContact O-CG 3.17Å; I276-L280 PolarHBondContact O-N 3.09Å
277R60.2Low61.1Low125 Ų12591.3 Ų91.347%0.47246%0.455SS..Hα-helixtrans-62.1-38.8174.6-77.4172.8-178152.40.9112.9L273 Q274 K281L273-R277 VanDerWaalsContact O-CB 3.31Å; L273-R277 WeakPolarHBondContact O-CB 3.48Å; L273-R277 VanDerWaalsContact O-CG 3.25Å; L273-R277 WeakPolarHBondContact O-CG 3.38Å; L273-R277 PolarHBondContact O-N 2.84Å; Q274-R277 PolarHBondContact O-N 3.21Å; R277-K281 VanDerWaalsContact O-CB 3.28Å; R277-K281 WeakPolarHBondContact O-CB 3.39Å; R277-K281 VanDerWaalsContact O-CG 3.24Å; R277-K281 WeakPolarHBondContact O-CG 3.43Å; R277-K281 PolarHBondContact O-N 3.11Å
278I63.4Low60Low103 Ų10393.9 Ų93.953%0.52848%0.475SS..Hα-helixtrans-67.4-48.3176-69.6162.9000109.9Q274 R275 I276 L280 K281 V282Q274-I278 WeakPolarHBondContact O-CB 3.2Å; Q274-I278 WeakPolarHBondContact O-CD1 3.21Å; Q274-I278 WeakPolarHBondContact O-CG1 3.2Å; Q274-I278 PolarHBondContact O-N 2.8Å; R275-I278 PolarHBondContact O-N 3.21Å; I276-I278 PolarHBondContact O-N 3.49Å; I278-L280 PolarHBondContact O-N 3.47Å; I278-K281 PolarHBondContact O-N 3.17Å; I278-V282 WeakPolarHBondContact O-CG2 3.35Å; I278-V282 PolarHBondContact O-N 3.37Å
279A64.8Low58.6Low49 Ų4997.2 Ų97.241%0.40550%0.499SS..Hα-helixtrans-59.9-45.2176.700000112.1R275 I276 K281 V282 F283R275-A279 VanDerWaalsContact O-CB 3.31Å; R275-A279 WeakPolarHBondContact O-CB 3.44Å; R275-A279 PolarHBondContact O-N 3.36Å; I276-A279 PolarHBondContact O-N 3.4Å; A279-K281 PolarHBondContact O-N 3.09Å; A279-V282 PolarHBondContact O-N 2.79Å; A279-F283 WeakPolarHBondContact O-CD2 3.43Å; A279-F283 PolarHBondContact O-N 3.42Å
280L64.1Low57.2Low110 Ų110101.7 Ų101.758%0.57652%0.522SS*.Hα-helixtrans-65.6-35.5175.2-70.9174.5000112.3I276 I278 K284I276-L280 HydrophobicContact CG2-CD1 3.69Å; I276-L280 HydrophobicContact CG2-CG 4.16Å; I276-L280 VanDerWaalsContact O-CB 3.28Å; I276-L280 WeakPolarHBondContact O-CB 3.21Å; I276-L280 VanDerWaalsContact O-CG 3.23Å; I276-L280 WeakPolarHBondContact O-CG 3.17Å; I276-L280 PolarHBondContact O-N 3.09Å; I278-L280 PolarHBondContact O-N 3.47Å; L280-K284 VanDerWaalsContact O-CB 3.27Å; L280-K284 WeakPolarHBondContact O-CB 3.32Å; L280-K284 PolarHBondContact O-N 3.12Å
281K66.5Low55.9Low157 Ų157103.7 Ų103.768%0.68354%0.537SS*.Hα-helixtrans-64.7-40.3172.1-82.7177.8176.6-174.50112R277 I278 A279 K284 A285R277-K281 VanDerWaalsContact O-CB 3.28Å; R277-K281 WeakPolarHBondContact O-CB 3.39Å; R277-K281 VanDerWaalsContact O-CG 3.24Å; R277-K281 WeakPolarHBondContact O-CG 3.43Å; R277-K281 PolarHBondContact O-N 3.11Å; I278-K281 PolarHBondContact O-N 3.17Å; A279-K281 PolarHBondContact O-N 3.09Å; K281-K284 PolarHBondContact O-N 3.19Å; K281-A285 WeakPolarHBondContact O-CB 3.5Å; K281-A285 PolarHBondContact O-N 3.37Å
282V66.8Low54.6Low95 Ų95107.6 Ų107.658%0.57656%0.56SS**Hα-helixtrans-64.3-47.3175.2171.80000110.7I278 A279 K284 A285 S286I278-V282 WeakPolarHBondContact O-CG2 3.35Å; I278-V282 PolarHBondContact O-N 3.37Å; A279-V282 PolarHBondContact O-N 2.79Å; V282-K284 VanDerWaalsContact C-N 3.35Å; V282-K284 PolarHBondContact O-N 3.4Å; V282-A285 PolarHBondContact O-N 3.37Å; V282-S286 PolarHBondContact O-N 3.22Å; V282-S286 PolarHBondContact O-OG 3.24Å
283F55.2Low53.2Low142 Ų142106.4 Ų106.462%0.62357%0.571SS**Hα-helixtrans-63.1-36.1175-94.4-79.8000113.6A279 S286 N287A279-F283 WeakPolarHBondContact O-CD2 3.43Å; A279-F283 PolarHBondContact O-N 3.42Å; F283-S286 WeakPolarHBondContact CA-OG 3.4Å; F283-S286 PolarHBondContact O-OG 2.88Å; F283-N287 PolarHBondContact O-N 3.37Å; F283-N287 PolarHBondContact O-OD1 3.14Å
284K61.8Low51.8Low159 Ų159108 Ų10869%0.69159%0.589SS**Hα-helixtrans-73.3-30.9176.8-151173.4-170.1-177.70111.7L280 K281 V282 V288L280-K284 VanDerWaalsContact O-CB 3.27Å; L280-K284 WeakPolarHBondContact O-CB 3.32Å; L280-K284 PolarHBondContact O-N 3.12Å; K281-K284 PolarHBondContact O-N 3.19Å; V282-K284 VanDerWaalsContact C-N 3.35Å; V282-K284 PolarHBondContact O-N 3.4Å; K284-V288 WeakPolarHBondContact O-CG2 3.4Å; K284-V288 PolarHBondContact O-N 3.36Å
285A52.6Low50.7Low67 Ų67111.1 Ų111.155%0.55461%0.607SS**Hα-helixtrans-71.9-38.3173.700000112.7K281 V282 N287K281-A285 WeakPolarHBondContact O-CB 3.5Å; K281-A285 PolarHBondContact O-N 3.37Å; V282-A285 PolarHBondContact O-N 3.37Å; A285-N287 VanDerWaalsContact C-N 3.31Å; A285-N287 PolarHBondContact O-N 2.69Å
286S49Very low49.5Very low55 Ų55110 Ų11039%0.38562%0.617SS.*Hα-helixtrans-69.9-24.6178.358.40000114.2V282 F283 S289V282-S286 PolarHBondContact O-N 3.22Å; V282-S286 PolarHBondContact O-OG 3.24Å; F283-S286 WeakPolarHBondContact CA-OG 3.4Å; F283-S286 PolarHBondContact O-OG 2.88Å; S286-S289 PolarHBondContact O-OG 3.16Å
287N43.9Very low48.1Very low106 Ų106114.5 Ų114.557%0.56763%0.633SS**Hα-helixtrans-89-25.4179.6-70.322.9000112.6F283 A285 S289F283-N287 PolarHBondContact O-N 3.37Å; F283-N287 PolarHBondContact O-OD1 3.14Å; A285-N287 VanDerWaalsContact C-N 3.31Å; A285-N287 PolarHBondContact O-N 2.69Å; N287-S289 VanDerWaalsContact C-N 3.32Å; N287-S289 PolarHBondContact O-N 3.04Å
288V48.8Very low46.9Very low109 Ų109115.4 Ų115.466%0.66165%0.647SS**Hα-helixtrans-78.8-14.5-179169.70000112.8K284K284-V288 WeakPolarHBondContact O-CG2 3.4Å; K284-V288 PolarHBondContact O-N 3.36Å
289S43.2Very low45.5Very low77 Ų77115 Ų11554%0.53865%0.654SS.*THydrogen-bonded Turntrans-84.4-5.2179.256.40000115.5S286 N287S286-S289 PolarHBondContact O-OG 3.16Å; N287-S289 VanDerWaalsContact C-N 3.32Å; N287-S289 PolarHBondContact O-N 3.04Å
290N37.2Very low44.1Very low121 Ų121117.4 Ų117.465%0.64767%0.667SS**SBendtrans-112.5-9.6-170.4-68.76.6000114.7
291D36Very low42.6Very low149 Ų149119 Ų11980%0.79768%0.676SS**SBendtrans-985.9-176.5-68.5-22.7000113.7S293D291-S293 PolarHBondContact O-N 3.08Å
292S33.3Very low41.3Very low106 Ų106120.7 Ų120.774%0.74168%0.684SS**  trans-96.833.6-173.668.20000114.6
293S30.4Very low39.6Very low104 Ų104126.2 Ų126.273%0.72770%0.7SS**SBendtrans-148.566.3-178.766.20000114.8D291D291-S293 PolarHBondContact O-N 3.08Å
294S29.8Very low38.6Very low113 Ų113122.8 Ų122.879%0.7971%0.705SS**  trans-178172.814850.20000110.4
295I35.9Very low37Very low163 Ų163121.9 Ų121.984%0.83671%0.712SS**  trans72.376-179.4-45.4176.9000113.2
296T31.3Very low36.3Very low121 Ų121125.5 Ų125.574%0.74273%0.728SS**  trans-73163.2152.245.60000110.9
297K36.5Very low35.3Very low174 Ų174130 Ų13076%0.75774%0.742SS**  trans95.7121.5163.5-59-173.6179-177.40118.6
298D34.3Very low34.8Very low143 Ų143132.8 Ų132.877%0.76575%0.754SS**  trans67.4142.8140.8-51.9-23.9000121.3
299S33.3Very low33.8Very low96 Ų96133.2 Ų133.267%0.67175%0.752SS**  cis-165.7139.5-34.745.10000110.7
300S36.3Very low33.4Very low98 Ų98138.9 Ų138.969%0.68577%0.77SS**  trans66131.8154.979.10000122.3
301N33Very low33Very low143 Ų143137.6 Ų137.677%0.76577%0.77SS**  trans64.6140.9145.5-65.6-36.3000119.8
302K38.9Very low32.6Very low193 Ų193138.7 Ų138.784%0.83977%0.773SS**  cis-157.4160.215.4-125.1164.2-173.6175.50112.5
303K31Very low32.8Very low211 Ų211139.2 Ų139.292%0.91777%0.771SS**  trans-51156.8-175.4-59.8167.9173.2179.40119.2
304G33.2Very low32.6Very low71 Ų71141.6 Ų141.673%0.73278%0.776SS**  trans155.982.5157.400000112.8
305V30Very low32.7Very low139 Ų139145.6 Ų145.684%0.84278%0.779SS**  58109.286.6-177.50000114.7
306V36.2Very low32.5Very low144 Ų144147 Ų14787%0.87378%0.779SS**  trans-160.4143.6130.7171.90000109
307H28.3Very low32.2Very low150 Ų150152.2 Ų152.269%0.69479%0.785SS**  trans-91.9162.7178.5-114.8-100.1000112.9D309H307-D309 IonicContact ND1-OD1 2.76Å
308M34Very low31.8Very low163 Ų163149.9 Ų149.980%0.80379%0.788SS**  166.2104.6117.9-85.1-57.6167.800114.1
309D28.3Very low31.5Very low118 Ų118148.7 Ų148.763%0.63179%0.785SS**  trans22130.3138.9-51.5-3000122.8H307H307-D309 IonicContact ND1-OD1 2.76Å
310H34.5Very low31.3Very low196 Ų196151.8 Ų151.891%0.90779%0.791SS**  -157.8161118.2-110.7-66.5000111.7
311S28.9Very low30.8Very low94 Ų94153.2 Ų153.266%0.65779%0.791SS**  trans-120.5176.1-15052.10000116
312M27.5Very low30.5Very low173 Ų173151.5 Ų151.585%0.85279%0.79SS**  trans74.5137167.2-85.9155.856.100117.1
313V37.9Very low30Very low117 Ų117148.5 Ų148.571%0.70979%0.787SS**  cis-137.6136.411.2-177.10000111.1F315V313-F315 HydrophobicContact CG1-CD2 4.39Å
314D25.8Very low29.9Very low153 Ų153145 Ų14582%0.81878%0.783SS**  trans-81.2133.6170.8-89.9-59.5000113.3
315F31.1Very low29.7Very low198 Ų198147.2 Ų147.287%0.86879%0.787SS**  trans-139.196.3154.5-103.1-81.1000112.1V313V313-F315 HydrophobicContact CG1-CD2 4.39Å
316K31.5Very low29.7Very low193 Ų193152.4 Ų152.484%0.83979%0.792SS**  trans9.2120.3158.3-69173.6175.5174.20118.7
317R25.1Very low29.4Very low230 Ų230157.2 Ų157.287%0.86880%0.795SS**PPolyproline II helixtrans-63.2149.3153.2-69.4-177.6175.8-163.81.5111.2
318P28.7Very low29.3Very low125 Ų125158 Ų15881%0.81280%0.803SS**PPolyproline II helixtrans-96.9136139.914.52.6000110.7
319V28Very low29.1Very low117 Ų117158.3 Ų158.371%0.70980%0.802SS**PPolyproline II helixtrans-85.2148166.2173.30000108.8
320M28.6Very low29Very low162 Ų162159.8 Ų159.880%0.79881%0.81SS**  trans141.3142161.5-78.2-30.2-153.900109.3
321L25.8Very low28.8Very low128 Ų128160.5 Ų160.567%0.6781%0.811SS**  cis-163.5132.4-30.1-123.5178.4000106.7V323L321-V323 PolarHBondContact O-N 3.33Å
322S27.1Very low28.9Very low106 Ų106164.8 Ų164.874%0.74182%0.818SS**  trans20.588.4157.762.60000120.8
323V28.9Very low28.8Very low131 Ų131168 Ų16879%0.79482%0.82SS**  trans-140.3147.7151.2-167.40000109L321L321-V323 PolarHBondContact O-N 3.33Å
324V28.9Very low28.2Very low137 Ų137168.4 Ų168.483%0.8383%0.826SS**SBendtrans76.540.1177.9-150.30000116.9
325S28.2Very low28.3Very low117 Ų117167.6 Ų167.682%0.81883%0.826SS**SBendtrans-13168.2156.4-640000110.9
326R30.1Very low28Very low248 Ų248165.3 Ų165.394%0.93682%0.822SS**SBendtrans-167.326.4174.6-131.2-174.8-70.1-176.2-1118.3
327R29.2Very low28Very low246 Ų246165.5 Ų165.593%0.92883%0.825SS**SBendtrans-129.318.8-172.7-141.6-178.8-175112.63.8117.1
328L28Very low28.1Very low167 Ų167162.7 Ų162.787%0.87482%0.822SS**SBendtrans-144.441.4178.5-148.575.6000114.4
329E28.2Very low28.2Very low168 Ų168165.5 Ų165.579%0.78583%0.825SS**SBendtrans-131.2105.1165.8-73.1-170.3144.600111.2F331E329-F331 PolarHBondContact O-N 3.11Å
330N28Very low28.2Very low150 Ų150168.2 Ų168.280%0.80283%0.83SS**  45.346.2117.9-57.8-21.2000118.7K332N330-K332 VanDerWaalsContact C-N 3.31Å; N330-K332 PolarHBondContact O-N 3.41Å
331F29.6Very low28.3Very low210 Ų210168.9 Ų168.992%0.92183%0.831SS**  trans-71.293.8156-100.9-85.6000110.3E329E329-F331 PolarHBondContact O-N 3.11Å
332K29.7Very low28.5Very low184 Ų184170.7 Ų170.780%0.884%0.836SS**PPolyproline II helixtrans-48.2147.6165.8-69.3173.3174.2174.60110.3N330 P334N330-K332 VanDerWaalsContact C-N 3.31Å; N330-K332 PolarHBondContact O-N 3.41Å; K332-P334 WeakPolarHBondContact O-CD 3.42Å
333R26.1Very low28.5Very low240 Ų240171.6 Ų171.691%0.90683%0.832SS**PPolyproline II helixtrans-54.4141.3166.7-66.2-179.7175.2-152.3-0.2110.7
334P26.1Very low28.6Very low126 Ų126175 Ų17582%0.81884%0.839SS**PPolyproline II helixtrans-103.4140.7143.40.819.6000110.1K332K332-P334 WeakPolarHBondContact O-CD 3.42Å
335T26.8Very low28.8Very low136 Ų136175.5 Ų175.583%0.83484%0.836SS**PPolyproline II helixtrans-77.2157.2179.5-49.60000111.1Q337T335-Q337 PolarHBondContact O-N 2.91Å
336I25.7Very low28.8Very low150 Ų150175.8 Ų175.877%0.76983%0.829SS**PPolyproline II helixtrans-58.9125.9173.6-62.1157.6000110.5
337Q31.2Very low28.8Very low197 Ų197173.8 Ų173.892%0.92182%0.821SS**  trans-140.7140.5156.2-96.9-179.4-14.400109.9T335T335-Q337 PolarHBondContact O-N 2.91Å
338Q27.5Very low28.8Very low172 Ų172167.7 Ų167.780%0.80481%0.811SS**  trans-108.2139.5-171-63.9169.1-35.500111.3
339Q31Very low28.8Very low184 Ų184164.3 Ų164.386%0.8680%0.802SS**  trans-167.8104.4148.6-108.6165.8-5.200106.9
340Q28.3Very low28.7Very low174 Ų174162.2 Ų162.281%0.81380%0.801SS**  76.898.774.5-77.1-169.7-5.100115.1
341Q30.5Very low28.8Very low176 Ų176163.3 Ų163.382%0.82281%0.806SS**  -158.7112.8129.8-99.8162.933.500106
342Q29.4Very low28.7Very low166 Ų166162.7 Ų162.778%0.77680%0.802SS**  62.6126.1102.5-68.5-175.910.800113.6
343N27.5Very low28.6Very low125 Ų125160 Ų16067%0.66880%0.804SS**  cis-154.4142.7-0.7-78.5-44.5000109.2
344H30.9Very low28.6Very low203 Ų203155.9 Ų155.994%0.9480%0.798SS**  trans-154.8124.8135.7-99.4-66.7000108.4
345L32.6Very low28.6Very low146 Ų146157.4 Ų157.476%0.76480%0.799SS**  trans-68.4134.8-169.3-77.7147.5000112.4
346N28.6Very low28.5Very low124 Ų124159.1 Ų159.166%0.66380%0.798SS**  trans63.5140.7140-60.1-19.9000118.2
347R29.4Very low28.7Very low205 Ų205159.1 Ų159.177%0.77480%0.8SS**  cis-159.2132.4-0.9-114.5173.1174167.3-4.7105.4
348T28.8Very low28.5Very low118 Ų118154.1 Ų154.172%0.72479%0.786SS**  41.2130.1107.870.30000114.9
349S29.4Very low28.4Very low97 Ų97155.2 Ų155.268%0.67879%0.791SS**  cis-176174.610.139.90000111.6
350T25.9Very low28.2Very low123 Ų123155.1 Ų155.176%0.75579%0.791SS**  trans58.997.8151.948.20000118.2
351L28.8Very low28.1Very low173 Ų173152.5 Ų152.591%0.90679%0.792SS**  -167.8154113.1-96.3159.3000110.5
352K29Very low28.2Very low197 Ų197151.9 Ų151.986%0.85779%0.793SS**PPolyproline II helixtrans-74135-164.3-60.8165178.31710113.2
353P26.3Very low28.3Very low127 Ų127155.6 Ų155.683%0.82580%0.8SS**PPolyproline II helixtrans-92.5130.1161.633.1-28.5000111.7
354I26.5Very low28.5Very low155 Ų155160.8 Ų160.880%0.79581%0.81SS**PPolyproline II helixtrans-78.7124175.8-71.8163.9000109.9Q356I354-Q356 PolarHBondContact O-N 3.45Å
355N25.9Very low28.7Very low157 Ų157156 Ų15684%0.8480%0.797SS**  trans23.885.8156.5-152.48.7000117.5
356Q26.2Very low29.4Very low173 Ų173151.8 Ų151.881%0.80878%0.78SS**  trans-115.9128159-65.8-177.2-0.600108.8I354I354-Q356 PolarHBondContact O-N 3.45Å
357N28.2Very low30.4Very low150 Ų150151.6 Ų151.680%0.80278%0.783SS**  trans17391.7147.6-87.4-23.4000108.6
358S26.8Very low31.1Very low92 Ų92148.5 Ų148.564%0.64378%0.776SS**  7181.680.371.60000114.5H360S358-H360 PolarHBondContact O-N 3.17Å; S358-H360 VanDerWaalsContact O-N 3.14Å
359E25.5Very low32.3Very low194 Ų194148.4 Ų148.491%0.90777%0.767SS**  trans36.160.4140.5-55.1-163.7143.600120.8S361E359-S361 PolarHBondContact O-N 2.89Å
360H27.8Very low34Very low182 Ų182145.7 Ų145.784%0.84375%0.754SS**  trans-86.196.9148.1-86.1-51.9000110.7S358 L362S358-H360 PolarHBondContact O-N 3.17Å; S358-H360 VanDerWaalsContact O-N 3.14Å; H360-L362 PolarHBondContact O-N 3.26Å
361S26.5Very low35.9Very low120 Ų120143 Ų14384%0.83973%0.734SS**  trans-67.693.1177.1-164.20000111.2E359 R363E359-S361 PolarHBondContact O-N 2.89Å; S361-R363 PolarHBondContact O-N 3.49Å
362L31.2Very low37.5Very low163 Ų163139.4 Ų139.485%0.85372%0.715SS**  trans-60.4101.4179.1-77.3161.3000110.9H360 R364H360-L362 PolarHBondContact O-N 3.26Å; L362-R364 PolarHBondContact O-N 2.85Å
363R31.7Very low39.4Very low243 Ų243136.4 Ų136.492%0.91770%0.702SS**  trans-60.5105.8172.8-160.3-176-159.3-169.77.1108.3S361S361-R363 PolarHBondContact O-N 3.49Å
364R31.7Very low41.4Very low235 Ų235133.9 Ų133.989%0.88769%0.688SS**PPolyproline II helixtrans-51.8127.9177.1-73.7-175.1177-175.7-1.8109.2L362L362-R364 PolarHBondContact O-N 2.85Å
365P36.1Very low43Very low101 Ų101128.4 Ų128.466%0.65667%0.666SS**PPolyproline II helixtrans-59.5146.2176.325.2-33.4000109.5
366S47.5Very low44.9Very low59 Ų59123.4 Ų123.441%0.41365%0.646SS.*PPolyproline II helixtrans-66.6149.217972.70000110.2F368 E369 G370S366-F368 PolarHBondContact O-N 3.11Å; S366-F368 VanDerWaalsContact O-N 3.15Å; S366-E369 WeakPolarHBondContact O-CA 3.25Å; S366-E369 WeakPolarHBondContact O-CB 3.47Å; S366-E369 PolarHBondContact O-N 2.92Å; S366-E369 VanDerWaalsContact OG-CB 3.31Å; S366-E369 WeakPolarHBondContact OG-CB 3.31Å; S366-E369 PolarHBondContact OG-N 2.73Å; S366-G370 PolarHBondContact O-N 3.4Å; S366-G370 VanDerWaalsContact O-N 3.09Å
367V48.5Very low46.7Very low119 Ų119119.3 Ų119.372%0.72163%0.627SS**Hα-helixtrans-56.4-34.6178.6179.10000111.1E369 G370 I371V367-E369 VanDerWaalsContact C-N 3.35Å; V367-E369 PolarHBondContact O-N 2.78Å; V367-G370 PolarHBondContact O-N 3.43Å; V367-I371 HydrophobicContact CG1-CD1 4.17Å; V367-I371 WeakPolarHBondContact O-CG1 3.36Å; V367-I371 PolarHBondContact O-N 3.41Å
368F45.2Very low48.4Very low141 Ų141115.1 Ų115.162%0.61861%0.613SS**Hα-helixtrans-62.6-37.7174.2-176.7-107.5000113.3S366 I371 L372S366-F368 PolarHBondContact O-N 3.11Å; S366-F368 VanDerWaalsContact O-N 3.15Å; F368-I371 PolarHBondContact O-N 2.9Å; F368-L372 HydrophobicContact CD1-CD1 3.92Å; F368-L372 HydrophobicContact CD1-CG 4.48Å; F368-L372 HydrophobicContact CE1-CD1 3.43Å; F368-L372 VanDerWaalsContact CE1-CD1 3.43Å; F368-L372 HydrophobicContact CE1-CG 4.14Å; F368-L372 HydrophobicContact CZ-CD1 3.91Å; F368-L372 HydrophobicContact CZ-CD2 4.5Å; F368-L372 HydrophobicContact CZ-CG 4.24Å; F368-L372 WeakPolarHBondContact O-CG 3.49Å; F368-L372 PolarHBondContact O-N 3.1Å
369E53.9Low50.2Low116 Ų116113.5 Ų113.554%0.54261%0.605SS.*Hα-helixtrans-74.4-33.5179.4-164.6158.8-160.200111.8S366 V367 K373S366-E369 WeakPolarHBondContact O-CA 3.25Å; S366-E369 WeakPolarHBondContact O-CB 3.47Å; S366-E369 PolarHBondContact O-N 2.92Å; S366-E369 VanDerWaalsContact OG-CB 3.31Å; S366-E369 WeakPolarHBondContact OG-CB 3.31Å; S366-E369 PolarHBondContact OG-N 2.73Å; V367-E369 VanDerWaalsContact C-N 3.35Å; V367-E369 PolarHBondContact O-N 2.78Å; E369-K373 WeakPolarHBondContact O-CB 3.5Å; E369-K373 PolarHBondContact O-N 2.86Å
370G64.2Low51.7Low39 Ų39110.4 Ų110.440%0.40259%0.59SS.*Hα-helixtrans-63-41.2166.300000113.1S366 V367 K373 S374S366-G370 PolarHBondContact O-N 3.4Å; S366-G370 VanDerWaalsContact O-N 3.09Å; V367-G370 PolarHBondContact O-N 3.43Å; G370-K373 PolarHBondContact O-N 2.94Å; G370-S374 WeakPolarHBondContact O-CB 3.35Å; G370-S374 PolarHBondContact O-N 2.83Å
371I66.1Low52.8Low67 Ų67107.6 Ų107.634%0.34458%0.578SS.*Hα-helixtrans-64.2-46.7175.7-69.8162.9000111V367 F368 K373 S374 A375 M455V367-I371 HydrophobicContact CG1-CD1 4.17Å; V367-I371 WeakPolarHBondContact O-CG1 3.36Å; V367-I371 PolarHBondContact O-N 3.41Å; F368-I371 PolarHBondContact O-N 2.9Å; I371-K373 VanDerWaalsContact C-N 3.35Å; I371-K373 PolarHBondContact O-N 3.27Å; I371-S374 PolarHBondContact O-N 3.17Å; I371-A375 WeakPolarHBondContact O-CB 3.3Å; I371-A375 PolarHBondContact O-N 3.42Å; I371-M455 HydrophobicContact CG2-CE 3.99Å
372L63.7Low53.6Low97 Ų97109 Ų10951%0.50857%0.565SS.*Hα-helixtrans-61.9-41.5176.7-75.9177000112.1F368 A375 A376F368-L372 HydrophobicContact CD1-CD1 3.92Å; F368-L372 HydrophobicContact CD1-CG 4.48Å; F368-L372 HydrophobicContact CE1-CD1 3.43Å; F368-L372 VanDerWaalsContact CE1-CD1 3.43Å; F368-L372 HydrophobicContact CE1-CG 4.14Å; F368-L372 HydrophobicContact CZ-CD1 3.91Å; F368-L372 HydrophobicContact CZ-CD2 4.5Å; F368-L372 HydrophobicContact CZ-CG 4.24Å; F368-L372 WeakPolarHBondContact O-CG 3.49Å; F368-L372 PolarHBondContact O-N 3.1Å; L372-A375 PolarHBondContact O-N 3.27Å; L372-A376 WeakPolarHBondContact O-CB 3.36Å; L372-A376 PolarHBondContact O-N 3.22Å
373K67.2Low54.6Low135 Ų135106.5 Ų106.559%0.58755%0.552SS**Hα-helixtrans-64.4-46.6178-162.5-176.2-175.8-110.10111.7E369 G370 I371 A375 A376 E377E369-K373 WeakPolarHBondContact O-CB 3.5Å; E369-K373 PolarHBondContact O-N 2.86Å; G370-K373 PolarHBondContact O-N 2.94Å; I371-K373 VanDerWaalsContact C-N 3.35Å; I371-K373 PolarHBondContact O-N 3.27Å; K373-A375 VanDerWaalsContact C-N 3.33Å; K373-A375 PolarHBondContact O-N 2.88Å; K373-A376 PolarHBondContact O-N 3.2Å; K373-E377 VanDerWaalsContact CE-OE1 3.3Å; K373-E377 WeakPolarHBondContact CE-OE1 3.33Å; K373-E377 IonicContact NZ-OE1 3.61Å; K373-E377 PolarHBondContact NZ-OE1 3.2Å; K373-E377 WeakPolarHBondContact O-CB 3.49Å; K373-E377 WeakPolarHBondContact O-CG 3.06Å; K373-E377 PolarHBondContact O-N 3.1Å
374S68.5Low55.3Low74 Ų74100 Ų10052%0.51754%0.536SS..Hα-helixtrans-64.3-36.1177.5-176.20000112.5G370 I371 A378G370-S374 WeakPolarHBondContact O-CB 3.35Å; G370-S374 PolarHBondContact O-N 2.83Å; I371-S374 PolarHBondContact O-N 3.17Å; S374-A378 WeakPolarHBondContact O-CB 3.4Å; S374-A378 PolarHBondContact O-N 2.93Å
375A61.5Low56Low40 Ų4093 Ų9333%0.33152%0.516SS..Hα-helixtrans-67.1-38173.300000112.6I371 L372 K373 A379I371-A375 WeakPolarHBondContact O-CB 3.3Å; I371-A375 PolarHBondContact O-N 3.42Å; L372-A375 PolarHBondContact O-N 3.27Å; K373-A375 VanDerWaalsContact C-N 3.33Å; K373-A375 PolarHBondContact O-N 2.88Å; A375-A379 PolarHBondContact O-N 3.14Å; A375-A379 VanDerWaalsContact O-N 3.09Å
376A65.1Low56.2Low51 Ų5191.8 Ų91.842%0.42150%0.504SS..Hα-helixtrans-68.9-43.4175.700000112.3L372 K373 A378 A379 Q380L372-A376 WeakPolarHBondContact O-CB 3.36Å; L372-A376 PolarHBondContact O-N 3.22Å; K373-A376 PolarHBondContact O-N 3.2Å; A376-A378 VanDerWaalsContact C-N 3.34Å; A376-A378 PolarHBondContact O-N 3.47Å; A376-A379 PolarHBondContact O-N 2.85Å; A376-Q380 WeakPolarHBondContact O-CG 3.31Å; A376-Q380 PolarHBondContact O-N 3.38Å
377E64.5Low55.5Low88 Ų8893.5 Ų93.541%0.41151%0.514SS..Hα-helixtrans-59.6-43.9174.6-72.7165.8175.600111K373 A379 Q380 H381K373-E377 VanDerWaalsContact CE-OE1 3.3Å; K373-E377 WeakPolarHBondContact CE-OE1 3.33Å; K373-E377 IonicContact NZ-OE1 3.61Å; K373-E377 PolarHBondContact NZ-OE1 3.2Å; K373-E377 WeakPolarHBondContact O-CB 3.49Å; K373-E377 WeakPolarHBondContact O-CG 3.06Å; K373-E377 PolarHBondContact O-N 3.1Å; E377-A379 VanDerWaalsContact C-N 3.34Å; E377-A379 PolarHBondContact O-N 2.9Å; E377-Q380 PolarHBondContact O-N 3.39Å; E377-H381 PolarHBondContact O-N 3.23Å
378A64.1Low54.8Low62 Ų6292.6 Ų92.651%0.51251%0.509SS..Hα-helixtrans-64.6-34.6175.700000113.4S374 A376 W382S374-A378 WeakPolarHBondContact O-CB 3.4Å; S374-A378 PolarHBondContact O-N 2.93Å; A376-A378 VanDerWaalsContact C-N 3.34Å; A376-A378 PolarHBondContact O-N 3.47Å; A378-W382 PolarHBondContact O-N 3.37Å
379A63.3Low54.2Low57 Ų5792 Ų9247%0.47151%0.513SS..Hα-helixtrans-70.5-41.2175.800000112.3A375 A376 E377 W382 N383A375-A379 PolarHBondContact O-N 3.14Å; A375-A379 VanDerWaalsContact O-N 3.09Å; A376-A379 PolarHBondContact O-N 2.85Å; E377-A379 VanDerWaalsContact C-N 3.34Å; E377-A379 PolarHBondContact O-N 2.9Å; A379-W382 PolarHBondContact O-N 2.84Å; A379-N383 PolarHBondContact O-N 2.88Å
380Q56.9Low53Low129 Ų12993.5 Ų93.560%0.60352%0.524SS*.Hα-helixtrans-63-40.8175.5-73.3179.6-18.100112A376 E377 W382 N383 N384A376-Q380 WeakPolarHBondContact O-CG 3.31Å; A376-Q380 PolarHBondContact O-N 3.38Å; E377-Q380 PolarHBondContact O-N 3.39Å; Q380-W382 PolarHBondContact O-N 2.89Å; Q380-N383 PolarHBondContact O-N 2.82Å; Q380-N384 PolarHBondContact O-N 3.24Å; Q380-N384 VanDerWaalsContact O-N 3.1Å
381H52Low51.2Low124 Ų124100.1 Ų100.157%0.57454%0.544SS*.Hα-helixtrans-63.6-26.2177.6-135.4-55.5000113.2E377 N385E377-H381 PolarHBondContact O-N 3.23Å; H381-N385 WeakPolarHBondContact O-CB 3.29Å; H381-N385 PolarHBondContact O-N 2.65Å; H381-N385 PolarHBondContact O-OD1 3.4Å
382W43.7Very low49.4Very low150 Ų150103.4 Ų103.457%0.56857%0.568SS**Hα-helixtrans-78.8-37.8175.8-140.268.2000112.3A378 A379 Q380 N385 N386A378-W382 PolarHBondContact O-N 3.37Å; A379-W382 PolarHBondContact O-N 2.84Å; Q380-W382 PolarHBondContact O-N 2.89Å; W382-N385 PolarHBondContact O-N 3.12Å; W382-N386 WeakPolarHBondContact CZ3-ND2 3.22Å; W382-N386 PolarHBondContact O-N 2.83Å; W382-N386 VanDerWaalsContact O-N 3.14Å
383N50.7Low47.7Very low110 Ų110103.9 Ų103.959%0.58858%0.579SS**Hα-helixtrans-64.9-42176.3-145.547.1000111.2A379 Q380 N385 N386 C387A379-N383 PolarHBondContact O-N 2.88Å; Q380-N383 PolarHBondContact O-N 2.82Å; N383-N385 VanDerWaalsContact C-N 3.34Å; N383-N385 PolarHBondContact O-N 3.17Å; N383-N386 PolarHBondContact O-N 2.76Å; N383-C387 PolarHBondContact O-N 3.17Å; N383-C387 VanDerWaalsContact O-N 3.14Å; N383-C387 PolarHBondContact O-SG 2.86Å; N383-C387 VanDerWaalsContact O-SG 3.32Å
384N47.9Very low45.7Very low107 Ų107103.6 Ų103.657%0.57259%0.594SS**Hα-helixtrans-69.7-27.9178.1-66.8-2.7000113.5Q380 T388Q380-N384 PolarHBondContact O-N 3.24Å; Q380-N384 VanDerWaalsContact O-N 3.1Å; N384-T388 WeakPolarHBondContact O-CG2 3.4Å; N384-T388 PolarHBondContact O-OG1 2.82Å
385N46.2Very low43.8Very low87 Ų87105.2 Ų105.247%0.46560%0.601SS.*Hα-helixtrans-87-14.9179.7-73.914.6000113.7H381 W382 N383H381-N385 WeakPolarHBondContact O-CB 3.29Å; H381-N385 PolarHBondContact O-N 2.65Å; H381-N385 PolarHBondContact O-OD1 3.4Å; W382-N385 PolarHBondContact O-N 3.12Å; N383-N385 VanDerWaalsContact C-N 3.34Å; N383-N385 PolarHBondContact O-N 3.17Å
386N39.6Very low42.3Very low76 Ų76112.7 Ų112.741%0.40663%0.626SS.*Hα-helixtrans-93.6-32.5171.6-75.9-0.5000112.2W382 N383 T388W382-N386 WeakPolarHBondContact CZ3-ND2 3.22Å; W382-N386 PolarHBondContact O-N 2.83Å; W382-N386 VanDerWaalsContact O-N 3.14Å; N383-N386 PolarHBondContact O-N 2.76Å; N386-T388 PolarHBondContact O-N 3.49Å; N386-T388 VanDerWaalsContact O-N 3.07Å
387C32.9Very low40.4Very low94 Ų94118 Ų11864%0.63565%0.646SS**THydrogen-bonded Turntrans-75.413.4177.5-64.70000114.9N383N383-C387 PolarHBondContact O-N 3.17Å; N383-C387 VanDerWaalsContact O-N 3.14Å; N383-C387 PolarHBondContact O-SG 2.86Å; N383-C387 VanDerWaalsContact O-SG 3.32Å
388T34.6Very low38.7Very low100 Ų100117.8 Ų117.861%0.61366%0.655SS**THydrogen-bonded Turntrans-122.24.4-176.540.20000114.5N384 N386N384-T388 WeakPolarHBondContact O-CG2 3.4Å; N384-T388 PolarHBondContact O-OG1 2.82Å; N386-T388 PolarHBondContact O-N 3.49Å; N386-T388 VanDerWaalsContact O-N 3.07Å
389N31.7Very low37.2Very low130 Ų130120.2 Ų120.270%0.69567%0.667SS**SBendtrans-112.8-0.9179.1-73-35.9000115.1H391N389-H391 PolarHBondContact O-N 2.84Å; N389-H391 VanDerWaalsContact O-N 3.16Å
390D28.4Very low35.5Very low146 Ų146126.3 Ų126.378%0.78169%0.686SS**  trans-87.331.5-176.5-69.8-25.8000114.2
391H27.7Very low34.2Very low179 Ų179125.7 Ų125.783%0.82970%0.696SS**  trans-133.880.3175.8-74.9-15.3000111.4N389N389-H391 PolarHBondContact O-N 2.84Å; N389-H391 VanDerWaalsContact O-N 3.16Å
392T26.7Very low33Very low136 Ų136126.7 Ų126.783%0.83471%0.706SS**SBendtrans175.8158.5144.424.50000111.4
393S28.6Very low32.3Very low107 Ų107127.6 Ų127.675%0.74872%0.716SS**  trans72.650.1167.572.60000119.2V395S393-V395 PolarHBondContact O-N 2.76Å
394S25.2Very low31.2Very low128 Ų128130.7 Ų130.790%0.89573%0.727SS**  trans-71.373.4151.358.90000110.9
395V29.2Very low30.5Very low109 Ų109134.8 Ų134.866%0.66174%0.743SS**  trans-125.498.1172.7-179.60000109.1S393 L397S393-V395 PolarHBondContact O-N 2.76Å; V395-L397 HydrophobicContact CG1-CD1 4.02Å; V395-L397 HydrophobicContact CG1-CG 4.01Å; V395-L397 PolarHBondContact O-N 2.81Å
396K28.9Very low29.6Very low197 Ų197136.2 Ų136.286%0.85776%0.755SS**  trans-89.886.8175.5-165.5177.4-175.8-176.10109
397L24.7Very low29.2Very low161 Ų161138.9 Ų138.984%0.84377%0.769SS**  trans-91.6107.5169.9-88.2166.4000109.9V395V395-L397 HydrophobicContact CG1-CD1 4.02Å; V395-L397 HydrophobicContact CG1-CG 4.01Å; V395-L397 PolarHBondContact O-N 2.81Å
398S29.5Very low28.9Very low85 Ų85141.8 Ų141.859%0.59478%0.778SS**  trans-174.4128.5169.554.70000107.4
399S32.6Very low28.7Very low112 Ų112140.6 Ų140.678%0.78379%0.786SS**  cis-171.2154.9-12.6350000105.9
400E27Very low28.5Very low186 Ų186142.2 Ų142.287%0.86980%0.795SS**  trans-68.2149.3-175.7-61128129.100114
401S30.3Very low28.7Very low115 Ų115139.1 Ų139.180%0.80479%0.79SS**  trans-162.1123.6146.659.20000109.9
402N27.4Very low28.9Very low145 Ų145137.8 Ų137.878%0.77579%0.789SS**  trans-90.5-175.6-178.6-67-37.6000112.7
403E28.8Very low29Very low169 Ų169137 Ų13779%0.7978%0.783SS**  trans92.496.1151.1-76.9155.4-136.800119.9
404E27.9Very low29.2Very low175 Ų175136.9 Ų136.982%0.81878%0.782SS**  50.5119121.1-65.9-168.9137.600121.4T406E404-T406 PolarHBondContact O-N 3.48Å; E404-T406 VanDerWaalsContact O-N 3.14Å
405Q32.8Very low29.3Very low194 Ų194139.1 Ų139.191%0.90778%0.779SS**  trans-60.4104.5140.7-67.6174.3-4700110
406T27.8Very low29.5Very low117 Ų117138.6 Ų138.672%0.71878%0.777SS**  -154.2142.5110.641.10000112.1E404E404-T406 PolarHBondContact O-N 3.48Å; E404-T406 VanDerWaalsContact O-N 3.14Å
407N29.7Very low29.4Very low131 Ų131136.1 Ų136.170%0.70177%0.773SS**  trans66.699.2160.2-64.3-25.4000120.7
408N28.1Very low29.5Very low155 Ų155135.3 Ų135.383%0.82977%0.769SS**  60.8124.1119.4-54.3-24000120
409G29.9Very low29.3Very low75 Ų75135.6 Ų135.677%0.77378%0.777SS**  trans160.944.4155.400000120.4
410N27Very low29Very low164 Ų164135.8 Ų135.888%0.87778%0.777SS**  trans27116.6147-79.4-4.2000120.8
411A32.6Very low28.9Very low82 Ų82131.7 Ų131.768%0.67877%0.769SS**  115.8136110.500000120.2
412N31.2Very low28.7Very low151 Ų151131.5 Ų131.581%0.80777%0.767SS**  trans76145.2145.5-65.1-10.8000120.3
413V30.7Very low28.8Very low119 Ų119129.8 Ų129.872%0.72177%0.767SS**  cis-170.1146.4-30.2115.70000108.4
414S31.7Very low28.7Very low104 Ų104127 Ų12773%0.72777%0.766SS**  trans48.1129.416069.20000123.7
415E26.5Very low28.8Very low176 Ų176124.8 Ų124.882%0.82277%0.77SS**  -6.8168.6119-107.2-176.4-166.100119.1
416P34Very low28.5Very low97 Ų97120.7 Ų120.763%0.6376%0.763SS**  cis-149-160532.9-5.4000116.6
417L27Very low28.6Very low145 Ų145122.3 Ų122.376%0.75977%0.773SS**  trans83.6122.6146.5-71176.6000124.8
418N26.8Very low28.3Very low145 Ų145122.3 Ų122.378%0.77578%0.778SS**  trans59.8117.6131.4-78.3-8.6000125.6
419A25.8Very low28.4Very low90 Ų90121.3 Ų121.374%0.74478%0.777SS**  84.5162.3120.800000122.4
420C25.3Very low28.3Very low116 Ų116123.2 Ų123.278%0.78477%0.774SS**  trans84.986.2164.7-62.80000120.7
421S24.7Very low28.2Very low101 Ų101124.4 Ų124.471%0.70677%0.774SS**  51.1124.9116.862.60000123.3
422S26.2Very low28.1Very low110 Ų110126.4 Ų126.477%0.76978%0.783SS**  trans87.4161.813180.10000121
423S29.9Very low27.8Very low109 Ų109124.6 Ų124.676%0.76278%0.782SS**  trans65.9120.8-171.870.50000115
424S26.7Very low27.8Very low112 Ų112125.7 Ų125.778%0.78379%0.789SS**  cis92.296.531.878.90000115.2
425S30.5Very low27.5Very low127 Ų127127.3 Ų127.389%0.88880%0.795SS**  trans-168.8138.2140.851.40000111.5
426S25.6Very low27.7Very low109 Ų109125.2 Ų125.276%0.76279%0.794SS**  trans-87.9142.4176.450.70000112.7
427T29.8Very low27.4Very low151 Ų151126.7 Ų126.793%0.92680%0.802SS**  trans-148.5137.1144.231.80000110.7
428T23.7Very low27.6Very low131 Ų131126 Ų12680%0.80480%0.804SS**  trans-95.1137.3-178.146.40000112.1
429T29.8Very low28Very low133 Ų133124.5 Ų124.582%0.81680%0.8SS**  trans-162113.1144.626.40000112.1
430T29.1Very low28.6Very low116 Ų116125.4 Ų125.471%0.71280%0.797SS**  trans40.4111.314052.90000122.2
431E24.7Very low29.1Very low188 Ų188128.3 Ų128.388%0.87980%0.802SS**  54.7101126.1-60.7-175.818000120.7
432S30.8Very low30.2Very low124 Ų124125.9 Ų125.987%0.86778%0.784SS**  -158.1148.2123.448.70000111.4
433S25.2Very low31.5Very low113 Ų113125.9 Ų125.979%0.7978%0.775SS**  trans-73.7132.2-171.351.20000114.4
434T30.9Very low32.9Very low142 Ų142125 Ų12587%0.87177%0.767SS**  trans-156.4146.5139.826.20000110.8
435T24.7Very low33.9Very low139 Ų139126.5 Ų126.585%0.85376%0.761SS**  trans-94.5122.5-174.746.80000112.3
436T29.8Very low35.6Very low131 Ų131123.6 Ų123.680%0.80474%0.738SS**  trans-134.596.5164.941.40000111.2T438T436-T438 PolarHBondContact O-N 2.75Å
437T29.3Very low37.1Very low129 Ų129124.7 Ų124.779%0.79173%0.726SS**  trans-77.3103.5173.146.20000110.7T439T437-T439 PolarHBondContact O-N 2.88Å
438T31.1Very low38.8Very low131 Ų131121.7 Ų121.780%0.80470%0.703SS**  trans-71.695.6168.551.70000110.3T436 T440T436-T438 PolarHBondContact O-N 2.75Å; T438-T440 PolarHBondContact O-N 3.3Å; T438-T440 VanDerWaalsContact O-N 3.12Å
439T34.9Very low41.2Very low112 Ų112118.4 Ų118.469%0.68768%0.683SS**  trans-73.996.917545.30000111T437 I441T437-T439 PolarHBondContact O-N 2.88Å; T439-I441 PolarHBondContact O-N 3.08Å
440T38.3Very low43Very low110 Ų110117.6 Ų117.668%0.67567%0.67SS**  trans-62.9126.4166.1480000109.6T438 T442T438-T440 PolarHBondContact O-N 3.3Å; T438-T440 VanDerWaalsContact O-N 3.12Å; T440-T442 VanDerWaalsContact C-N 3.31Å; T440-T442 PolarHBondContact O-N 2.87Å
441I35.7Very low44.7Very low176 Ų176121 Ų12190%0.90367%0.67SS**  trans-72.486-176.6-59.8172.8000109.1T439T439-I441 PolarHBondContact O-N 3.08Å
442T47.7Very low46.9Very low51 Ų51115.1 Ų115.131%0.31364%0.644SS.*  trans-82.9118.1173.856.10000109.9T440 R447T440-T442 VanDerWaalsContact C-N 3.31Å; T440-T442 PolarHBondContact O-N 2.87Å; T442-R447 WeakPolarHBondContact OG1-CG 3.06Å; T442-R447 PolarHBondContact OG1-NE 3.2Å
443N53.6Low48.8Very low110 Ų110113.7 Ų113.759%0.58863%0.627SS**  trans-40.8133.7175.4-121.8-61.3000112.1H445 T446 R447N443-H445 PolarHBondContact O-N 2.91Å; N443-T446 HydrophobicContact CB-CG2 4.07Å; N443-T446 PolarHBondContact O-N 3.33Å; N443-T446 PolarHBondContact O-OG1 2.97Å; N443-R447 PolarHBondContact O-N 2.96Å
444P59.7Low50.9Low91 Ų91111.7 Ų111.759%0.59161%0.613SS**Hα-helixtrans-57.3-32-177.121.5-33.5000112.4T446 R447 L448P444-T446 PolarHBondContact O-N 3.36Å; P444-R447 PolarHBondContact O-N 3.01Å; P444-L448 PolarHBondContact O-N 3.02Å
445H48Very low52.5Low142 Ų142109 Ų10966%0.65759%0.591SS**Hα-helixtrans-65.2-32.9175.6-150.5-59.9000113.4N443 V449N443-H445 PolarHBondContact O-N 2.91Å; H445-V449 WeakPolarHBondContact O-CG2 3.46Å; H445-V449 PolarHBondContact O-N 3.03Å
446T66.1Low54.8Low66 Ų66106.5 Ų106.541%0.40557%0.572SS.*Hα-helixtrans-76.6-38.417762.60000111.3N443 P444 L448 V449 Q450N443-T446 HydrophobicContact CB-CG2 4.07Å; N443-T446 PolarHBondContact O-N 3.33Å; N443-T446 PolarHBondContact O-OG1 2.97Å; P444-T446 PolarHBondContact O-N 3.36Å; T446-L448 VanDerWaalsContact C-N 3.34Å; T446-L448 PolarHBondContact O-N 2.98Å; T446-V449 PolarHBondContact O-N 3.33Å; T446-Q450 WeakPolarHBondContact O-CB 3.31Å; T446-Q450 VanDerWaalsContact O-CG 3.29Å; T446-Q450 WeakPolarHBondContact O-CG 3.39Å; T446-Q450 PolarHBondContact O-N 2.91Å
447R57.1Low56.9Low133 Ų133103.1 Ų103.150%0.50255%0.553SS.*Hα-helixtrans-60.6-40.8171.6-80.4-172.3174.5-167.7-2.3112.6T442 N443 P444 R451T442-R447 WeakPolarHBondContact OG1-CG 3.06Å; T442-R447 PolarHBondContact OG1-NE 3.2Å; N443-R447 PolarHBondContact O-N 2.96Å; P444-R447 PolarHBondContact O-N 3.01Å; R447-R451 WeakPolarHBondContact O-CB 3.48Å; R447-R451 PolarHBondContact O-N 3.32Å
448L65.7Low58.9Low87 Ų87101.8 Ų101.846%0.45554%0.541SS..Hα-helixtrans-66.2-42.4178.9-170.7148.8000111.7P444 T446 R451 L452P444-L448 PolarHBondContact O-N 3.02Å; T446-L448 VanDerWaalsContact C-N 3.34Å; T446-L448 PolarHBondContact O-N 2.98Å; L448-R451 PolarHBondContact O-N 3.5Å; L448-L452 HydrophobicContact CD2-CD1 3.65Å; L448-L452 HydrophobicContact CD2-CG 4.31Å; L448-L452 WeakPolarHBondContact O-CG 3.33Å; L448-L452 PolarHBondContact O-N 3.37Å
449V72.6Confident60.3Low63 Ų63102.6 Ų102.638%0.38253%0.529SS..Hα-helixtrans-62.3-50.7174.1171.10000111H445 T446 R451 L452 D453H445-V449 WeakPolarHBondContact O-CG2 3.46Å; H445-V449 PolarHBondContact O-N 3.03Å; T446-V449 PolarHBondContact O-N 3.33Å; V449-R451 VanDerWaalsContact C-N 3.27Å; V449-R451 PolarHBondContact O-N 3.29Å; V449-L452 PolarHBondContact O-N 2.81Å; V449-L452 VanDerWaalsContact O-N 3.12Å; V449-D453 PolarHBondContact O-N 3.45Å
450Q67.4Low62Low116 Ų116105.7 Ų105.754%0.54253%0.528SS..Hα-helixtrans-55.4-40.8176.9-75.2172.3-17.400112.7T446 S454T446-Q450 WeakPolarHBondContact O-CB 3.31Å; T446-Q450 VanDerWaalsContact O-CG 3.29Å; T446-Q450 WeakPolarHBondContact O-CG 3.39Å; T446-Q450 PolarHBondContact O-N 2.91Å; Q450-S454 WeakPolarHBondContact O-CB 3.42Å; Q450-S454 PolarHBondContact O-N 3.43Å; Q450-S454 PolarHBondContact O-OG 2.87Å
451R65.6Low63.5Low187 Ų187105.6 Ų105.671%0.70652%0.52SS*.Hα-helixtrans-69.8-39.2178.2-164.8171.8-177.899.6-4.6112.2R447 L448 V449 M455R447-R451 WeakPolarHBondContact O-CB 3.48Å; R447-R451 PolarHBondContact O-N 3.32Å; L448-R451 PolarHBondContact O-N 3.5Å; V449-R451 VanDerWaalsContact C-N 3.27Å; V449-R451 PolarHBondContact O-N 3.29Å; R451-M455 WeakPolarHBondContact O-CG 3.4Å; R451-M455 PolarHBondContact O-N 3.47Å
452L70.3Confident65Low64 Ų64102.3 Ų102.334%0.33550%0.501SS..Hα-helixtrans-62.6-47.2172.7-78.1172.7000111.7L448 V449 S454 M455 I456L448-L452 HydrophobicContact CD2-CD1 3.65Å; L448-L452 HydrophobicContact CD2-CG 4.31Å; L448-L452 WeakPolarHBondContact O-CG 3.33Å; L448-L452 PolarHBondContact O-N 3.37Å; V449-L452 PolarHBondContact O-N 2.81Å; V449-L452 VanDerWaalsContact O-N 3.12Å; L452-S454 VanDerWaalsContact C-N 3.35Å; L452-S454 PolarHBondContact O-N 2.82Å; L452-M455 HydrophobicContact CD2-CE 4.06Å; L452-M455 PolarHBondContact O-N 3.03Å; L452-I456 VanDerWaalsContact O-CG1 3.31Å; L452-I456 WeakPolarHBondContact O-CG1 3.5Å; L452-I456 PolarHBondContact O-N 3.27Å
453D70.2Confident65.6Low95 Ų95103.8 Ų103.851%0.50851%0.507SS..Hα-helixtrans-63-40.9179.5-73.1-32.2000111.7V449 M455 I456 S457V449-D453 PolarHBondContact O-N 3.45Å; D453-M455 PolarHBondContact O-N 3.49Å; D453-I456 PolarHBondContact O-N 2.88Å; D453-S457 PolarHBondContact O-N 3.19Å
454S71.3Confident66.2Low71 Ų71100.9 Ų100.950%0.49750%0.499SS..Hα-helixtrans-60.3-44.8173-66.40000112.4Q450 L452 I456 S457 L458Q450-S454 WeakPolarHBondContact O-CB 3.42Å; Q450-S454 PolarHBondContact O-N 3.43Å; Q450-S454 PolarHBondContact O-OG 2.87Å; L452-S454 VanDerWaalsContact C-N 3.35Å; L452-S454 PolarHBondContact O-N 2.82Å; S454-I456 PolarHBondContact O-N 3.34Å; S454-S457 PolarHBondContact O-N 3.44Å; S454-L458 WeakPolarHBondContact O-CG 3.28Å; S454-L458 PolarHBondContact O-N 3.47Å
455M63.7Low65.7Low86 Ų86101.6 Ų101.642%0.42450%0.497SS..Hα-helixtrans-65.7-37.1176.6-69.7-165.3-38.300112.7I371 R451 L452 D453 R459I371-M455 HydrophobicContact CG2-CE 3.99Å; R451-M455 WeakPolarHBondContact O-CG 3.4Å; R451-M455 PolarHBondContact O-N 3.47Å; L452-M455 HydrophobicContact CD2-CE 4.06Å; L452-M455 PolarHBondContact O-N 3.03Å; D453-M455 PolarHBondContact O-N 3.49Å; M455-R459 WeakPolarHBondContact O-CB 3.23Å; M455-R459 PolarHBondContact O-N 3.17Å
456I73.2Confident65.5Low85 Ų8597 Ų9744%0.43648%0.481SS..Hα-helixtrans-65.4-41.5175.6-68.9164.6000110.2L452 D453 S454 R459 R460L452-I456 VanDerWaalsContact O-CG1 3.31Å; L452-I456 WeakPolarHBondContact O-CG1 3.5Å; L452-I456 PolarHBondContact O-N 3.27Å; D453-I456 PolarHBondContact O-N 2.88Å; S454-I456 PolarHBondContact O-N 3.34Å; I456-R459 PolarHBondContact O-N 3.15Å; I456-R460 WeakPolarHBondContact O-CG 3.31Å; I456-R460 PolarHBondContact O-N 3.22Å
457S73.5Confident64.4Low60 Ų6099.4 Ų99.442%0.4249%0.491SS..Hα-helixtrans-64.6-49.6177.3-154.80000111.9D453 S454 R459 R460 E461D453-S457 PolarHBondContact O-N 3.19Å; S454-S457 PolarHBondContact O-N 3.44Å; S457-R459 PolarHBondContact O-N 3.28Å; S457-R460 WeakPolarHBondContact O-CA 3.43Å; S457-R460 WeakPolarHBondContact O-CB 3.31Å; S457-R460 PolarHBondContact O-N 3.41Å; S457-E461 PolarHBondContact O-N 3.4Å
458L71.1Confident63.7Low101 Ų10197.4 Ų97.453%0.52949%0.49SS..Hα-helixtrans-56.8-34.8174.8-73169.6000112.3S454 Q462S454-L458 WeakPolarHBondContact O-CG 3.28Å; S454-L458 PolarHBondContact O-N 3.47Å; L458-Q462 WeakPolarHBondContact O-CG 3.44Å; L458-Q462 PolarHBondContact O-N 3.29Å
459R61.6Low62.5Low148 Ų14897.6 Ų97.656%0.55850%0.495SS*.Hα-helixtrans-74.2-32.8176.5-161.270.8-166-163.50.5113M455 I456 S457 N463M455-R459 WeakPolarHBondContact O-CB 3.23Å; M455-R459 PolarHBondContact O-N 3.17Å; I456-R459 PolarHBondContact O-N 3.15Å; S457-R459 PolarHBondContact O-N 3.28Å; R459-N463 WeakPolarHBondContact O-CB 3.38Å; R459-N463 VanDerWaalsContact O-CG 3.27Å; R459-N463 PolarHBondContact O-N 3.4Å
460R70.1Confident60.8Low178 Ų178100.9 Ų100.967%0.67251%0.51SS*.Hα-helixtrans-64.6-43.5171.1-72.8172.5175.7176.8-0.7110.8I456 S457 N463 A464I456-R460 WeakPolarHBondContact O-CG 3.31Å; I456-R460 PolarHBondContact O-N 3.22Å; S457-R460 WeakPolarHBondContact O-CA 3.43Å; S457-R460 WeakPolarHBondContact O-CB 3.31Å; S457-R460 PolarHBondContact O-N 3.41Å; R460-N463 PolarHBondContact O-N 3.29Å; R460-A464 WeakPolarHBondContact O-CB 3.19Å; R460-A464 PolarHBondContact O-N 3.28Å
461E69.3Low59.3Low108 Ų10898.1 Ų98.151%0.50550%0.504SS..Hα-helixtrans-61.6-48.6173.5-71.3175.6167.900111.9S457 N463 A464 L465S457-E461 PolarHBondContact O-N 3.4Å; E461-N463 VanDerWaalsContact C-N 3.3Å; E461-N463 PolarHBondContact O-N 3.47Å; E461-A464 PolarHBondContact O-N 3.08Å; E461-A464 VanDerWaalsContact O-N 3.17Å; E461-L465 WeakPolarHBondContact O-CB 3.28Å; E461-L465 VanDerWaalsContact O-CG 3.31Å; E461-L465 WeakPolarHBondContact O-CG 3.24Å; E461-L465 PolarHBondContact O-N 2.97Å
462Q66.3Low57.7Low106 Ų10694.9 Ų94.950%0.49550%0.5SS..Hα-helixtrans-57.5-41.6175.5-78-177.6-5.600112.7L458 S466L458-Q462 WeakPolarHBondContact O-CG 3.44Å; L458-Q462 PolarHBondContact O-N 3.29Å; Q462-S466 WeakPolarHBondContact O-CB 3.43Å; Q462-S466 PolarHBondContact O-N 3.43Å; Q462-S466 PolarHBondContact O-OG 2.86Å
463N60.6Low55.9Low82 Ų82100.7 Ų100.744%0.43953%0.526SS..Hα-helixtrans-67.9-41.5176.9-73.3-3.2000111.5R459 R460 E461 S466 N467R459-N463 WeakPolarHBondContact O-CB 3.38Å; R459-N463 VanDerWaalsContact O-CG 3.27Å; R459-N463 PolarHBondContact O-N 3.4Å; R460-N463 PolarHBondContact O-N 3.29Å; E461-N463 VanDerWaalsContact C-N 3.3Å; E461-N463 PolarHBondContact O-N 3.47Å; N463-S466 WeakPolarHBondContact CA-OG 3.33Å; N463-S466 PolarHBondContact O-N 3.42Å; N463-S466 PolarHBondContact O-OG 2.81Å; N463-N467 PolarHBondContact O-N 3.12Å; N463-N467 VanDerWaalsContact O-N 3.11Å; N463-N467 PolarHBondContact O-ND2 3.21Å
464A65.8Low54Low50 Ų50100.7 Ų100.741%0.41353%0.533SS..Hα-helixtrans-62.5-47.3175.500000111.6R460 E461 S466 N467 L468R460-A464 WeakPolarHBondContact O-CB 3.19Å; R460-A464 PolarHBondContact O-N 3.28Å; E461-A464 PolarHBondContact O-N 3.08Å; E461-A464 VanDerWaalsContact O-N 3.17Å; A464-S466 VanDerWaalsContact C-N 3.31Å; A464-S466 PolarHBondContact O-N 2.94Å; A464-N467 WeakPolarHBondContact O-CB 3.47Å; A464-N467 PolarHBondContact O-N 2.99Å; A464-N467 VanDerWaalsContact O-N 3.08Å; A464-L468 PolarHBondContact O-N 3.49Å
465L49.4Very low52Low105 Ų105102.5 Ų102.555%0.5555%0.546SS..Hα-helixtrans-60.2-39.6174.1-69.8172000111.7E461 N467 L468 T469E461-L465 WeakPolarHBondContact O-CB 3.28Å; E461-L465 VanDerWaalsContact O-CG 3.31Å; E461-L465 WeakPolarHBondContact O-CG 3.24Å; E461-L465 PolarHBondContact O-N 2.97Å; L465-N467 PolarHBondContact O-N 3.06Å; L465-L468 PolarHBondContact O-N 2.92Å; L465-L468 VanDerWaalsContact O-N 3.16Å; L465-T469 WeakPolarHBondContact O-CG2 3.46Å; L465-T469 PolarHBondContact O-N 3.15Å; L465-T469 PolarHBondContact O-OG1 3.27Å
466S45Very low50.3Low47 Ų47107.3 Ų107.333%0.32957%0.567SS.*Hα-helixtrans-66.3-24.7175.877.80000113.8Q462 N463 A464 T469 N470Q462-S466 WeakPolarHBondContact O-CB 3.43Å; Q462-S466 PolarHBondContact O-N 3.43Å; Q462-S466 PolarHBondContact O-OG 2.86Å; N463-S466 WeakPolarHBondContact CA-OG 3.33Å; N463-S466 PolarHBondContact O-N 3.42Å; N463-S466 PolarHBondContact O-OG 2.81Å; A464-S466 VanDerWaalsContact C-N 3.31Å; A464-S466 PolarHBondContact O-N 2.94Å; S466-T469 PolarHBondContact O-OG1 2.98Å; S466-N470 PolarHBondContact O-ND2 2.92Å
467N43.1Very low48.2Very low116 Ų116111.7 Ų111.762%0.6259%0.589SS**Hα-helixtrans-80.2-34.2172.7-68.5-25.2000111.2N463 A464 L465 S471N463-N467 PolarHBondContact O-N 3.12Å; N463-N467 VanDerWaalsContact O-N 3.11Å; N463-N467 PolarHBondContact O-ND2 3.21Å; A464-N467 WeakPolarHBondContact O-CB 3.47Å; A464-N467 PolarHBondContact O-N 2.99Å; A464-N467 VanDerWaalsContact O-N 3.08Å; L465-N467 PolarHBondContact O-N 3.06Å; N467-S471 PolarHBondContact O-N 3.12Å; N467-S471 PolarHBondContact O-OG 3.25Å
468L41.2Very low46Very low91 Ų91111.5 Ų111.548%0.47660%0.597SS.*Hα-helixtrans-71.4-40.6175.5-74.2156.2000112.9A464 L465 N470 S471 N472A464-L468 PolarHBondContact O-N 3.49Å; L465-L468 PolarHBondContact O-N 2.92Å; L465-L468 VanDerWaalsContact O-N 3.16Å; L468-N470 PolarHBondContact O-N 3.45Å; L468-S471 WeakPolarHBondContact CA-OG 3.38Å; L468-S471 PolarHBondContact O-N 2.99Å; L468-S471 VanDerWaalsContact O-N 3.14Å; L468-S471 PolarHBondContact O-OG 2.96Å; L468-N472 PolarHBondContact O-N 3.42Å; L468-N472 VanDerWaalsContact O-N 3.09Å; L468-N472 PolarHBondContact O-OD1 2.93Å
469T41.3Very low44.1Very low90 Ų90112.2 Ų112.255%0.55261%0.61SS**Hα-helixtrans-70.5-21.317755.60000113L465 S466L465-T469 WeakPolarHBondContact O-CG2 3.46Å; L465-T469 PolarHBondContact O-N 3.15Å; L465-T469 PolarHBondContact O-OG1 3.27Å; S466-T469 PolarHBondContact O-OG1 2.98Å
470N36.9Very low42.4Very low133 Ų133110.1 Ų110.171%0.71162%0.619SS**THydrogen-bonded Turntrans-84-11.8171.5-78.7-53.1000113.8S466 L468S466-N470 PolarHBondContact O-ND2 2.92Å; L468-N470 PolarHBondContact O-N 3.45Å
471S35.6Very low40.4Very low58 Ų58111.4 Ų111.441%0.40663%0.629SS.*THydrogen-bonded Turntrans-96.5-25.1171.449.60000113.6N467 L468 H473N467-S471 PolarHBondContact O-N 3.12Å; N467-S471 PolarHBondContact O-OG 3.25Å; L468-S471 WeakPolarHBondContact CA-OG 3.38Å; L468-S471 PolarHBondContact O-N 2.99Å; L468-S471 VanDerWaalsContact O-N 3.14Å; L468-S471 PolarHBondContact O-OG 2.96Å; S471-H473 VanDerWaalsContact C-N 3.27Å; S471-H473 PolarHBondContact O-N 3.38Å
472N33Very low38.2Very low119 Ų119113 Ų11364%0.63664%0.641SS**THydrogen-bonded Turntrans-84.919.9-172-65.8-0.1000115.4L468L468-N472 PolarHBondContact O-N 3.42Å; L468-N472 VanDerWaalsContact O-N 3.09Å; L468-N472 PolarHBondContact O-OD1 2.93Å
473H32.5Very low36.3Very low186 Ų186115.3 Ų115.386%0.86166%0.656SS**THydrogen-bonded Turntrans-119.620.7173.5-88.3-27.3000113.5S471S471-H473 VanDerWaalsContact C-N 3.27Å; S471-H473 PolarHBondContact O-N 3.38Å
474S28.5Very low34.5Very low95 Ų95117 Ų11766%0.66467%0.674SS**SBendtrans-152.852.1-179.155.50000114.7
475S30.3Very low32.7Very low109 Ų109119.2 Ų119.276%0.76268%0.683SS**  trans178.783.8151.454.70000112.2
476E27.4Very low31.5Very low187 Ų187120 Ų12087%0.87470%0.697SS**  trans-89.6150.6141.9-80.2-175.7142.200107.7
477I30.5Very low30.7Very low176 Ų176124 Ų12490%0.90371%0.714SS**  trans67.6112.7-171.2-41.2163.1000111.8
478G26.5Very low30Very low56 Ų56124.1 Ų124.158%0.57772%0.715SS**  cis162.21591.200000109.5
479S30.6Very low29.4Very low116 Ų116131 Ų13181%0.81174%0.736SS**  trans5899.1-176.158.60000115.4
480S26.3Very low28.8Very low105 Ų105132.5 Ų132.573%0.73474%0.741SS**  73.499.671.175.40000114.4
481F27.9Very low28.6Very low204 Ų204132 Ų13290%0.89574%0.738SS**  -157.4139.7128.9-123.1-81.9000109.3
482D23.4Very low28.4Very low141 Ų141139.8 Ų139.875%0.75476%0.76SS**  trans-67.6149.9-178.8-56.3-77.8000112.2
483L27.7Very low28.4Very low155 Ų155141.2 Ų141.281%0.81276%0.761SS**  -168.1132.3123.3-124.680000111.6
484S22.7Very low28.3Very low117 Ų117136.2 Ų136.282%0.81875%0.747SS**  trans-80.6109.9168.553.50000111.1
485T26.2Very low28.3Very low98 Ų98137.7 Ų137.760%0.60175%0.752SS**  trans-149.8127164.733.20000113.1L487T485-L487 PolarHBondContact O-N 3.24Å
486S24Very low28.2Very low121 Ų121140.1 Ų140.185%0.84675%0.753SS**  trans-56.9113.4154.9157.90000109.8
487L29.4Very low28.2Very low131 Ų131138.8 Ų138.869%0.68675%0.752SS**  trans-139.6110.4173.2-82.1171.3000112.9T485T485-L487 PolarHBondContact O-N 3.24Å
488D27.2Very low28.1Very low118 Ų118139.3 Ų139.363%0.63174%0.744SS**  trans15112.4148-59.7-63.4000120.9N490D488-N490 VanDerWaalsContact C-N 3.26Å; D488-N490 PolarHBondContact O-N 3.46Å
489Y28.8Very low28.2Very low237 Ų237144.2 Ų144.293%0.92975%0.752SS**SBendtrans-89.333.8167.1-130.1-83.1000113
490N29.2Very low28Very low120 Ų120147 Ų14764%0.64275%0.752SS**  trans-109.6-16.6-168.3-87.6-28.9000116.9D488 S494D488-N490 VanDerWaalsContact C-N 3.26Å; D488-N490 PolarHBondContact O-N 3.46Å; N490-S494 PolarHBondContact O-OG 2.85Å
491D33.6Very low28.2Very low122 Ų122153.6 Ų153.665%0.65276%0.761SS**SBendtrans-97.8-12.6-172-83.6-36.9000116.4F493D491-F493 PolarHBondContact O-N 3.46Å
492Y30.4Very low28.1Very low223 Ų223153.6 Ų153.688%0.87576%0.76SS**THydrogen-bonded Turntrans-78.511.7-168.6-108.3-83.9000117.1
493F33.7Very low28.5Very low149 Ų149151 Ų15165%0.65476%0.758SS**THydrogen-bonded Turntrans-148.613.9172.5-110.1-74000115.2K191 D491K191-F493 PolarHBondContact NZ-O 2.88Å; D491-F493 PolarHBondContact O-N 3.46Å
494S30.6Very low28.4Very low80 Ų80150.8 Ų150.856%0.55976%0.758SS**  trans-104.3-11.5-169-58.80000114.3N490 M496N490-S494 PolarHBondContact O-OG 2.85Å; S494-M496 VanDerWaalsContact C-N 3.29Å; S494-M496 PolarHBondContact O-N 3.25Å
495T28.6Very low28.9Very low126 Ų126151.8 Ų151.877%0.77376%0.759SS**  trans-84.359.8178.748.50000113.6
496M27.5Very low28.9Very low161 Ų161155.6 Ų155.679%0.79378%0.775SS**  trans-130.463159.5-85.2-69.1161.400109.5S494 Y498S494-M496 VanDerWaalsContact C-N 3.29Å; S494-M496 PolarHBondContact O-N 3.25Å; M496-Y498 VanDerWaalsContact C-N 3.32Å; M496-Y498 PolarHBondContact O-N 2.91Å
497N27.7Very low29.1Very low159 Ų159156.7 Ų156.785%0.8577%0.771SS**  trans-71.288173.7-116.8-20.6000109.1Q499N497-Q499 PolarHBondContact O-N 3.43Å
498Y28.7Very low28.9Very low187 Ų187160.8 Ų160.873%0.73378%0.778SS**  trans-80.463.4-176.2-136.4-82.6000111.5M496M496-Y498 VanDerWaalsContact C-N 3.32Å; M496-Y498 PolarHBondContact O-N 2.91Å
499Q27.5Very low28.9Very low159 Ų159166.8 Ų166.874%0.74379%0.791SS**  trans-118132.6163.3-71-139.6-1.100110N497N497-Q499 PolarHBondContact O-N 3.43Å
500H27.2Very low28.9Very low173 Ų173165 Ų16580%0.80179%0.789SS**  trans56.9100.2177.6-71.9-89.7000117.2
501R29.4Very low28.9Very low245 Ų245165 Ų16593%0.92580%0.795SS**  -172.4135.992.8-96.2168.3-169.8-165.22.2112.5
502K27.3Very low28.6Very low204 Ų204166.6 Ų166.689%0.88780%0.803SS**  trans-77.6169.1158.7-72.6180174.5-179.80109.3
503A30.1Very low28.6Very low85 Ų85161.9 Ų161.970%0.70280%0.799SS**  trans86.1111.2169.100000116.7
504N27Very low28.4Very low151 Ų151163.8 Ų163.881%0.80781%0.813SS**  31.5112125.7-50.5-3.3000117
505T32Very low28.2Very low139 Ų139162 Ų16285%0.85381%0.807SS**  -169.9156.589.231.90000110.5D507T505-D507 PolarHBondContact O-N 2.93Å
506L26.6Very low28.1Very low178 Ų178164.3 Ų164.393%0.93282%0.815SS**  trans-67.2112.1168.5-75.5155.2000109.9
507D27.9Very low28.2Very low144 Ų144162.7 Ų162.777%0.7781%0.805SS**  trans-149.1169143.4-148-4.7000112.9T505T505-D507 PolarHBondContact O-N 2.93Å
508R26.8Very low28.1Very low217 Ų217162.5 Ų162.582%0.81980%0.804SS**  trans-88.8159.4-156.8-62.8155.3170-168.3-3.4111.9
509R26.8Very low28Very low243 Ų243161.1 Ų161.192%0.91781%0.808SS**  trans78.293.7170.7-49.3173.1-178.5-172.60.9115.5
510F28.4Very low28.1Very low201 Ų201159.9 Ų159.988%0.88280%0.8SS**  trans-105.2137.2151.7-91.3-83.1000109.8
511P29.8Very low28Very low119 Ų119155 Ų15577%0.77378%0.781SS**  trans-72.9141.9-178.6-13.128.7000112.1
512L27.4Very low28.2Very low156 Ų156144.9 Ų144.982%0.81775%0.747SS**  trans-72.5134.1170-65.6167.6000109.8M514L512-M514 PolarHBondContact O-N 3.5Å
513P30.5Very low28.2Very low123 Ų123139.2 Ų139.280%0.79973%0.732SS**  trans-68.8104.6167.227.8-31.6000109.1G515P513-G515 PolarHBondContact O-N 3.19Å
514M27.9Very low28.1Very low190 Ų190141.9 Ų141.994%0.93673%0.73SS**  trans-59.1121.2175-74.6-82.5-79.300110.2L512L512-M514 PolarHBondContact O-N 3.5Å
515G28.3Very low28.3Very low43 Ų43136.7 Ų136.744%0.44371%0.706SS.*  trans-147.6125.6173.300000109.4P513 H517P513-G515 PolarHBondContact O-N 3.19Å; G515-H517 PolarHBondContact O-CD2 2.92Å; G515-H517 PolarHBondContact O-N 2.84Å
516N25.5Very low28.3Very low174 Ų174133.5 Ų133.593%0.9369%0.686SS**  trans-52.3105.4-177.1-77-24.2000111.7
517H28.8Very low28.4Very low127 Ų127127.8 Ų127.859%0.58866%0.657SS**  trans-117.3113.4170.6-77.1-57.6000110R214 G515 L519R214-H517 PolarHBondContact NE-CE1 3.46Å; R214-H517 PolarHBondContact NH2-CE1 3.21Å; R214-H517 PolarHBondContact NH2-NE2 3.42Å; G515-H517 PolarHBondContact O-CD2 2.92Å; G515-H517 PolarHBondContact O-N 2.84Å; H517-L519 PolarHBondContact O-N 3.46Å
518N27.6Very low28.9Very low154 Ų154125.6 Ų125.682%0.82465%0.65SS**  trans-51.8105.1151.3-82.4-59.3000108K520N518-K520 PolarHBondContact O-N 3.03Å
519L25.9Very low29.3Very low158 Ų158122.6 Ų122.683%0.82764%0.64SS**  trans-64.3119.2170.9-80.988.8000108.7H517H517-L519 PolarHBondContact O-N 3.46Å
520K29.4Very low30Very low133 Ų133113.1 Ų113.158%0.57861%0.609SS**  trans-140.591.4156.3-115.8-177.8-175.9-170.60112.7N518 D527N518-K520 PolarHBondContact O-N 3.03Å; K520-D527 WeakPolarHBondContact CE-OD1 3.49Å; K520-D527 IonicContact NZ-OD1 2.69Å; K520-D527 PolarHBondContact NZ-OD1 3.05Å
521N25.8Very low30.4Very low72 Ų72108.6 Ų108.639%0.38559%0.593SS.*  trans73.2157.7141.9-59.611000115.1S144S144-N521 WeakPolarHBondContact CB-O 3.37Å; S144-N521 PolarHBondContact OG-O 3.11Å
522P32.7Very low30.9Very low32 Ų32110.1 Ų110.121%0.20859%0.588CS.*SBendcis-115.9174.626.843.6-30000112.4S144S144-P522 VanDerWaalsContact CB-CD 3.48Å; S144-P522 WeakPolarHBondContact O-CD 3.31Å; S144-P522 WeakPolarHBondContact O-CG 3.42Å
523S26.7Very low31.6Very low84 Ų84108.4 Ų108.459%0.58758%0.579SS**SBendcis-139.5153.74.420.60000108.2S525S523-S525 PolarHBondContact O-N 3.07Å; S523-S525 PolarHBondContact O-OG 2.99Å
524Q28.7Very low31.8Very low142 Ų142107.8 Ų107.866%0.66457%0.568SS**SBendtrans4753.7179.5-57.4-169.216.300115.4Y53Y53-Q524 HydrophobicContact CD2-CB 4.48Å
525S30.3Very low32.6Very low41 Ų41103.9 Ų103.929%0.28755%0.55SS.*  trans-149.1119.3178.330.30000114.9S523S523-S525 PolarHBondContact O-N 3.07Å; S523-S525 PolarHBondContact O-OG 2.99Å
526T31.8Very low33.3Very low72 Ų72105.6 Ų105.644%0.44256%0.556SS.*  trans42.793.1144.258.80000119.2V51 P528V51-T526 HydrophobicContact CB-CG2 3.67Å; V51-T526 HydrophobicContact CG2-CG2 3.41Å; V51-T526 VanDerWaalsContact CG2-CG2 3.41Å; T526-P528 WeakPolarHBondContact O-CD 3.29Å
527D30.1Very low33.8Very low59 Ų59103.7 Ų103.732%0.31655%0.545SS..  trans-71.1114.5155.6-93.3-48.7000110.4K520 Y529 T530K520-D527 WeakPolarHBondContact CE-OD1 3.49Å; K520-D527 IonicContact NZ-OD1 2.69Å; K520-D527 PolarHBondContact NZ-OD1 3.05Å; D527-Y529 PolarHBondContact O-N 3.44Å; D527-Y529 VanDerWaalsContact O-N 3.12Å; D527-T530 PolarHBondContact O-N 3.1Å; D527-T530 PolarHBondContact O-OG1 3.07Å
528P37.9Very low34.2Very low97 Ų97103.6 Ų103.663%0.6355%0.548SS*.THydrogen-bonded Turntrans-69.6-5.5173.130.2-35.5000113T526T526-P528 WeakPolarHBondContact O-CD 3.29Å
529Y36.1Very low34.7Very low155 Ų155101.5 Ų101.561%0.60854%0.543SS*.THydrogen-bonded Turntrans-83.9-28.5177.3-81.7-91.3000114.1D527 L531 K532 L533D527-Y529 PolarHBondContact O-N 3.44Å; D527-Y529 VanDerWaalsContact O-N 3.12Å; Y529-L531 VanDerWaalsContact C-N 3.34Å; Y529-L531 PolarHBondContact O-N 3.02Å; Y529-K532 PolarHBondContact O-N 2.97Å; Y529-K532 VanDerWaalsContact O-N 3.08Å; Y529-L533 PolarHBondContact O-N 2.98Å
530T40.2Very low35.4Very low43 Ų43100 Ų10026%0.26454%0.543SS..Hα-helixtrans-70.9-29.7-178.926.40000112.9R59 D527 K532 L534R59-T530 PolarHBondContact NH1-OG1 3.05Å; R59-T530 PolarHBondContact NH2-OG1 2.98Å; D527-T530 PolarHBondContact O-N 3.1Å; D527-T530 PolarHBondContact O-OG1 3.07Å; T530-K532 VanDerWaalsContact C-N 3.31Å; T530-L534 WeakPolarHBondContact O-CB 3.34Å; T530-L534 PolarHBondContact O-N 3.41Å; T530-L534 VanDerWaalsContact O-N 3.11Å
531L37.4Very low35.8Very low106 Ų106100 Ų10056%0.55555%0.553SS**Hα-helixtrans-76.3-17.7170.8-66.4176.7000113.3Y529Y529-L531 VanDerWaalsContact C-N 3.34Å; Y529-L531 PolarHBondContact O-N 3.02Å
532K40.4Very low36.1Very low152 Ų152102.1 Ų102.166%0.66157%0.571SS**Hα-helixtrans-84.1-33.2174.1-154.5176.8-177.1-173.30111.1Y529 T530 S536Y529-K532 PolarHBondContact O-N 2.97Å; Y529-K532 VanDerWaalsContact O-N 3.08Å; T530-K532 VanDerWaalsContact C-N 3.31Å; K532-S536 WeakPolarHBondContact O-CB 3.43Å; K532-S536 PolarHBondContact O-N 3.31Å; K532-S536 PolarHBondContact O-OG 3.04Å
533L41.2Very low36Very low119 Ų119105.4 Ų105.462%0.62360%0.595SS**Hα-helixtrans-75-34.2175.3-151.381.1000113.1Y529 S536 L537Y529-L533 PolarHBondContact O-N 2.98Å; L533-S536 WeakPolarHBondContact CA-OG 3.27Å; L533-S536 PolarHBondContact O-OG 3.44Å; L533-L537 WeakPolarHBondContact O-CG 3.32Å
534L35.7Very low36Very low110 Ų110107.9 Ų107.958%0.57661%0.607SS**Hα-helixtrans-74.4-30.6176.5-95.2156.8000113.5T530T530-L534 WeakPolarHBondContact O-CB 3.34Å; T530-L534 PolarHBondContact O-N 3.41Å; T530-L534 VanDerWaalsContact O-N 3.11Å
535L43.9Very low36.1Very low108 Ų108106.3 Ų106.357%0.56561%0.612SS**Hα-helixtrans-84.5-14.6174.5-105.969.3000113.8L537L535-L537 VanDerWaalsContact C-N 3.26Å
536S43.4Very low35.9Very low80 Ų80110.5 Ų110.556%0.55964%0.635SS**THydrogen-bonded Turntrans-85.96.5174.464.60000113.7K532 L533K532-S536 WeakPolarHBondContact O-CB 3.43Å; K532-S536 PolarHBondContact O-N 3.31Å; K532-S536 PolarHBondContact O-OG 3.04Å; L533-S536 WeakPolarHBondContact CA-OG 3.27Å; L533-S536 PolarHBondContact O-OG 3.44Å
537L35.5Very low35.8Very low133 Ų133112.6 Ų112.670%0.69665%0.653SS**THydrogen-bonded Turntrans-102.14.8177.4-72.6167.1000113L533 L535L533-L537 WeakPolarHBondContact O-CG 3.32Å; L535-L537 VanDerWaalsContact C-N 3.26Å
538L38.2Very low35.7Very low125 Ų125114.6 Ų114.665%0.65467%0.672SS**SBendtrans-81.5132.8167.1-75.592.8000110
539P37.8Very low35.3Very low110 Ų110115 Ų11571%0.71468%0.677SS**PPolyproline II helixtrans-71.5139.4176.229.6-34000111.1
540P40.3Very low35Very low127 Ų127113.1 Ų113.183%0.82569%0.687SS**PPolyproline II helixtrans-74.1128.2171.530.1-32.4000110.6
541V38.3Very low34.4Very low132 Ų132116.3 Ų116.380%0.871%0.71SS**PPolyproline II helixtrans-83.9134.5177-177.20000109.9
542P30.5Very low34.2Very low118 Ų118117 Ų11777%0.76672%0.719SS**PPolyproline II helixtrans-98.9131.3-179.435.4-31.7000114.2
543S31.7Very low33.8Very low101 Ų101119.1 Ų119.171%0.70672%0.724SS**  trans-166.1122.3159.344.10000107.8
544T26.1Very low33.4Very low135 Ų135119.8 Ų119.883%0.82873%0.728SS**  80.381.352.866.30000116
545S30.9Very low33.2Very low110 Ų110122.5 Ų122.577%0.76974%0.735SS**  trans-178.1122147.144.40000107.6
546T25.7Very low32.7Very low128 Ų128123.8 Ų123.879%0.78574%0.742SS**  cis74.1125.647.367.30000115.8
547S30.7Very low32.2Very low116 Ų116124.9 Ų124.981%0.81175%0.745SS**  trans79.8150.1167.781.80000117.6
548S27.1Very low32Very low101 Ų101125.4 Ų125.471%0.70675%0.749SS**  cis-177.8163.2-39.347.40000111.1
549S29.5Very low31.6Very low106 Ų106123.3 Ų123.374%0.74175%0.745SS**  trans87.4118.7148.5-55.10000121.9
550S30.4Very low31.4Very low116 Ų116127 Ų12781%0.81175%0.75SS**  159.797.2126.8-69.90000108.9
551S27.7Very low31Very low109 Ų109127.6 Ų127.676%0.76275%0.746SS**  75122.561.5-170.10000114.7
552V33.6Very low30.7Very low122 Ų122127.4 Ų127.474%0.73974%0.74SS**  trans168.8109134.9153.90000111.2
553Y31.1Very low30.9Very low195 Ų195126 Ų12677%0.76573%0.734SS**  trans50.1142.8137.8-69.2-78.8000122.3
554L33.4Very low31Very low134 Ų134130.7 Ų130.770%0.70274%0.741SS**  cis-153.3148.426.1-103.1135.2000113.2
555K32.5Very low31.4Very low166 Ų166129.8 Ų129.872%0.72274%0.737SS**  trans22.2147.9134.8-64.3-175.9-168.3173.40119.8
556N32Very low31.5Very low135 Ų135134.5 Ų134.572%0.72274%0.744SS**  cis-174.2172.212.2-115.124.8000107.5
557V32.6Very low31.7Very low103 Ų103138 Ų13862%0.62475%0.748SS**  cis-172.5176.6-27113.90000108.1
558N32.2Very low31.6Very low145 Ų145141 Ų14178%0.77576%0.755SS**  trans80.5136.1174.7-61.5-23.1000118.2
559S29.4Very low31.8Very low80 Ų80141.7 Ų141.756%0.55976%0.755SS**  cis169.1150.7-40.648.30000110.4
560F32.8Very low31.8Very low187 Ų187142.3 Ų142.382%0.8276%0.759SS**  trans65.3153.1169.3-66.8-82.1000116.7
561D33.7Very low31.6Very low140 Ų140145.1 Ų145.175%0.74976%0.764SS**  cis-177.7164.7-36.7-104.615.5000106.6
562D31.4Very low31.6Very low128 Ų128144.9 Ų144.968%0.68476%0.762SS**  cis-155-176.3-13.6170.945000106.7
563S34.2Very low31.5Very low89 Ų89144.1 Ų144.162%0.62276%0.763SS**  trans100.582.6146.278.40000118.9
564K34.9Very low31.4Very low200 Ų200143.7 Ų143.787%0.8777%0.765SS**  76.2154.5127.4-75.2178.1179.9168.80120.7
565P33.1Very low31.3Very low115 Ų115144.8 Ų144.875%0.74777%0.766SS**  trans-127.3159.2-137.841.1-27.5000115.9
566K32.8Very low31.4Very low210 Ų210146.4 Ų146.491%0.91377%0.773SS**  trans-138.1151.6158.1-74.2-171.6-179.9172.50112.3
567K31.6Very low31.3Very low200 Ų200147.8 Ų147.887%0.8778%0.775SS**  trans-59.2135.5-170.6-64.7163.6176.3174.10113
568L27.3Very low31.2Very low180 Ų180152.6 Ų152.694%0.94279%0.788SS**  trans-97.2110.8162.4-93.1160.4000110
569T31.5Very low31.2Very low116 Ų116151.4 Ų151.471%0.71278%0.782SS**  trans-138148.1170.345.80000109.5
570S29.4Very low31.3Very low118 Ų118157.1 Ų157.183%0.82580%0.796SS**  trans88.1129.9176.180.80000117.4
571L27Very low31.1Very low176 Ų176157.1 Ų157.192%0.92180%0.796SS**  trans-78.8131.7168.2-71.968.2000109
572S27.9Very low31.1Very low103 Ų103159 Ų15972%0.7281%0.805SS**  trans-170.4132.5148.9-172.50000112.1
573S29.9Very low31.2Very low107 Ų107159.8 Ų159.875%0.74880%0.804SS**  trans61.194.3149.4-54.20000121.1
574F29.1Very low30.9Very low186 Ų186166.1 Ų166.182%0.81682%0.815SS**  trans-154.4141.7148.1-104.5-69000105.6
575H31.6Very low30.5Very low156 Ų156161.4 Ų161.472%0.72281%0.807SS**  cis-132.8144.59.2-105.490.9000110.3
576K34.5Very low30.3Very low200 Ų200164.2 Ų164.287%0.8781%0.814SS**  trans-95.8163.6148-92.7-179.3177.4174.20108.3
577H30.5Very low30Very low165 Ų165158.5 Ų158.576%0.76480%0.801SS**  trans76.1101.5172.8-110.771.3000117
578F31.1Very low29.9Very low203 Ų203156 Ų15689%0.8980%0.797SS**  trans-136.9148.6137.7-141.4-92.8000111.2
579N32Very low30Very low121 Ų121152.4 Ų152.465%0.64779%0.787SS**  trans-67.2149.6-147.5-86-67.2000119.1
580K30.5Very low29.7Very low200 Ų200152.2 Ų152.287%0.8779%0.791SS**  trans-57.8163.4151.9-151.5174.7-171.2176.50110.1
581K30.1Very low29.8Very low186 Ų186153.4 Ų153.481%0.80979%0.793SS**  trans94.990.4162.5-158.8-177.7-170.1179.20117.2
582L32.8Very low29.8Very low179 Ų179148.3 Ų148.394%0.93778%0.783SS**  trans-135.6142.1134.4-108.5172.1000109.3
583H33Very low29.9Very low146 Ų146150.2 Ų150.268%0.67679%0.79SS**  trans-113.9160.2-168.1-103-96.8000111.3
584R29.3Very low29.6Very low222 Ų222149.8 Ų149.884%0.83879%0.788SS**  trans74.4129.9145.6-87.3177.5168.3160.3-3.4120.3
585S26.4Very low29.6Very low101 Ų101149.3 Ų149.371%0.70679%0.786SS**  trans67.1122141.3-51.70000116.8
586L28.6Very low29.5Very low173 Ų173149.9 Ų149.991%0.90679%0.786SS**  -152.813461.3-85.9156.4000112.6
587S26.9Very low28.9Very low91 Ų91147 Ų14764%0.63679%0.785SS**  trans-91.9150.2155.357.10000109.8
588N28Very low28.9Very low146 Ų146145.8 Ų145.878%0.78179%0.79SS**  trans136150.6142.8-66.7-5.7000115.2
589S29.4Very low28.5Very low105 Ų105147.2 Ų147.273%0.73479%0.789SS**  trans65.3124.7176.269.40000115.9
590S26.4Very low28.5Very low113 Ų113148.9 Ų148.979%0.7980%0.797SS**  cis71.677.811.592.40000117.4
591T31Very low28.4Very low143 Ų143146.5 Ų146.588%0.87779%0.792SS**  trans-179.2143.9148.132.60000106.4
592G26.4Very low28.2Very low69 Ų69142.2 Ų142.271%0.71179%0.786SS**  cis124.253.56.300000113.2
593T30.5Very low28.1Very low142 Ų142143.9 Ų143.987%0.87179%0.786SS**  trans-144.3119174.8510000113.3
594S24.6Very low27.8Very low99 Ų99144.5 Ų144.569%0.69279%0.789SS**  trans-86.8145.7154.6172.80000109
595F28.2Very low27.7Very low176 Ų176140.4 Ų140.477%0.77279%0.792SS**  166.5144.7129-93.2-60.3000114.8
596K29.4Very low27.6Very low167 Ų167139.6 Ų139.673%0.72679%0.787SS**  trans65.8103.4143.8-70.2166.4-174.2176.80121
597T22.5Very low27.5Very low139 Ų139142.3 Ų142.385%0.85379%0.787SS**  4.4123.1120.6-22.10000118.8
598T29.3Very low27.4Very low140 Ų140145 Ų14586%0.85979%0.794SS**  trans-148.7154.1147.8-12.40000110.9
599R23.3Very low27.6Very low234 Ų234145.5 Ų145.588%0.88380%0.796SS**  trans-132.4118-168.1-173.1-167-154.8-179.76.9109.8
600I32.9Very low27.4Very low156 Ų156144.9 Ų144.980%0.879%0.792SS**  trans-144.2101.3176.2-57.3-179.6000105.3
601L28.4Very low27.6Very low149 Ų149147.5 Ų147.578%0.7880%0.797SS**  95.4122.772-96172.2000113.7
602S25.2Very low27.4Very low96 Ų96149 Ų14967%0.67179%0.794SS**  trans48.8125.7154.559.90000122.5
603K30.3Very low27.6Very low215 Ų215152.2 Ų152.294%0.93580%0.795SS**  -144.3134.2113.6-106.4172-174.71800110.1
604H26.8Very low27.7Very low159 Ų159152.1 Ų152.174%0.73679%0.788SS**  trans-73.7155.5179.9-89.8-106.7000112.1
605C26.5Very low27.7Very low136 Ų136151.4 Ų151.492%0.91978%0.783SS**  -159.3121.6120.3-102.40000108.9
606S24.2Very low27.8Very low84 Ų84150.4 Ų150.459%0.58778%0.78SS**  trans-100.4147.2177.5-42.50000109.5
607Y28.2Very low27.8Very low230 Ų230149.2 Ų149.290%0.90278%0.777SS**  trans-150.797.9154.5-119.4-80000107.1
608D24.8Very low28.1Very low147 Ų147151.4 Ų151.479%0.78678%0.775SS**  trans-83.8141.2159.9-70.5-60.4000107.2
609D30.3Very low28Very low156 Ų156153 Ų15383%0.83477%0.773SS**  trans-152.6133.6140-124.4-25.2000110.5
610S27.2Very low28.5Very low93 Ų93147 Ų14765%0.6577%0.766SS**  trans-85147.2-176.950.60000111.7
611N29.3Very low28.4Very low167 Ų167147.1 Ų147.189%0.89377%0.768SS**  trans-156.5131.9139.1-94.3-42.2000111
612Q27Very low28.6Very low174 Ų174145.1 Ų145.181%0.81376%0.764SS**  trans-82157.4168.2-64.2162.4-81.500109.1
613D30.6Very low28.5Very low137 Ų137148.3 Ų148.373%0.73377%0.774SS**  154.6156.2106.6-102.9-25.9000115.2
614I32.1Very low28.4Very low141 Ų141147.4 Ų147.472%0.72376%0.764SS**  trans61.6102.2157.9-61.6152.4000115.9
615S25.1Very low28.6Very low84 Ų84147.7 Ų147.759%0.58776%0.76SS**  85.1144.353.779.60000115.8
616H30.3Very low28.8Very low154 Ų154148.7 Ų148.771%0.71375%0.751SS**  trans67.8146.7178.5-53.3-85.1000116.2
617E28.5Very low28.7Very low143 Ų143150.6 Ų150.667%0.66876%0.764SS**  cis-165.3-175-9.7-121.1170.3-163.700111.3
618F29.8Very low28.8Very low185 Ų185144.4 Ų144.481%0.81175%0.754SS**  trans94.3111.4161.4-73.3-75.4000121.8
619H27.7Very low28.8Very low174 Ų174144.3 Ų144.381%0.80675%0.754SS**  trans-74.9155.4173-65.9-104.6000114.5
620S32.4Very low28.7Very low106 Ų106142.6 Ų142.674%0.74174%0.743SS**  173.2107.7117.9440000110.9
621L32.2Very low28.7Very low159 Ų159146.2 Ų146.283%0.83275%0.75SS**  78.715597-70.1173.1000114.7
622P31.2Very low28.8Very low108 Ų108145 Ų14570%0.70175%0.749SS**  -137.8173.4-64.837.2-18.7000115.1
623N23.8Very low28.8Very low163 Ų163145.5 Ų145.587%0.87275%0.751SS**  trans-67.7138.9166-81.9-38.2000113.3
624R28.7Very low28.8Very low195 Ų195147.7 Ų147.774%0.73675%0.754SS**  trans-175.7136159.8-114.6-174.3-119-169.6-1.2106.8
625Y31.1Very low28.7Very low166 Ų166148.1 Ų148.165%0.65175%0.753SS**  cis-154136.547.6-102.8-86.1000113.6
626H30.7Very low29Very low156 Ų156150.9 Ų150.972%0.72276%0.76SS**  trans39.7129.8143.3-64.9-30.5000125.7
627S21.1Very low28.8Very low125 Ų125150.3 Ų150.387%0.87476%0.762SS**  trans-97.7141.4145.1-51.60000110.4
628S30.5Very low28.8Very low99 Ų99150.9 Ų150.969%0.69277%0.77SS**  trans-157.7121.7162.849.40000105.5
629N26Very low28.9Very low146 Ų146147.7 Ų147.778%0.78177%0.765SS**  58.3136.690.6-71.57.6000112.7
630I27.8Very low28.8Very low119 Ų119144 Ų14461%0.6176%0.758SS**  cis-166.9170-1-115.7166.1000106.7
631E26.1Very low28.6Very low169 Ų169147.2 Ų147.279%0.7976%0.761SS**  trans59.1122.1166.2-76.7143.3-144.600118.5
632T32.7Very low28.4Very low142 Ų142145.5 Ų145.587%0.87176%0.762SS**  -164.914778.321.60000111.6
633E25.7Very low28.4Very low184 Ų184150.4 Ų150.486%0.8677%0.772SS**  trans-87.7-178.7-179.6-59.2-175.312900113.6
634K31.2Very low28.7Very low183 Ų183147.7 Ų147.780%0.79677%0.766SS**  trans94.3131.6177.3-60.1-179.4-179-1740113.7
635E29.7Very low29Very low151 Ų151145.7 Ų145.771%0.70677%0.77SS**  cis-158.3157.615-124162.8-154.200113.2
636I32.5Very low29.7Very low142 Ų142141.4 Ų141.473%0.72876%0.764SS**  trans71.2103.4150-64.5153.6000120.2
637N25.4Very low30.2Very low142 Ų142139 Ų13976%0.75976%0.76SS**  trans-17.8144.4143.7-56.3-34.5000117.4
638D29.6Very low31.5Very low154 Ų154137.9 Ų137.982%0.82475%0.748SS**  -165.7150.5103.8-118.5-23.2000117.2
639V30.3Very low32.2Very low118 Ų118135.9 Ų135.972%0.71574%0.738SS**  trans63.986.4157.5-171.30000120.6
640C27.2Very low33.2Very low96 Ų96133.9 Ų133.965%0.64973%0.726SS**  62.1124.7115.5-69.70000126
641H26.5Very low34.2Very low174 Ų174133.4 Ų133.481%0.80673%0.725SS**  trans71.989.2135.5-56.2-36.4000122.1
642S28.8Very low35.6Very low123 Ų123128 Ų12886%0.8671%0.709SS**  -171.879.2126.2370000111.7
643K30.5Very low36.5Very low211 Ų211126.9 Ų126.992%0.91769%0.694SS**  trans-132.5104.2173-77.2-176.3179.1175.50111
644S31.3Very low38.5Very low107 Ų107121.3 Ų121.375%0.74867%0.672SS**SBendtrans-1431.5167.357.50000114.6
645L35.5Very low40.2Very low153 Ų153117.4 Ų117.480%0.80166%0.66SS**SBendtrans-1205.1-171.2-121.877000116.6
646S45.2Very low42.3Very low76 Ų76114.9 Ų114.953%0.53166%0.655SS.*SBendtrans-111.2-16.1-169.9-168.60000116.1L650S646-L650 PolarHBondContact O-N 2.91Å
647T41Very low43.9Very low104 Ų104116.6 Ų116.664%0.63865%0.652SS**Hα-helixtrans-81.9-38.4-173.836.10000113.1L651T647-L651 WeakPolarHBondContact O-CG 3.38Å; T647-L651 PolarHBondContact O-N 2.92Å
648T47.3Very low46.1Very low103 Ų103115.9 Ų115.963%0.63264%0.644SS**Hα-helixtrans-70.3-35.8176.345.30000112.9L651 A652T648-L651 PolarHBondContact O-N 3.09Å; T648-A652 PolarHBondContact O-N 3.44Å
649A45.7Very low48.1Very low57 Ų57113.3 Ų113.347%0.47163%0.63SS.*Hα-helixtrans-65.9-39.1175.900000112.7A652 E653A649-A652 PolarHBondContact O-N 3.5Å; A649-E653 PolarHBondContact O-N 3.48Å; A649-E653 VanDerWaalsContact O-N 3.15Å
650L48.2Very low50.1Low104 Ų104113.1 Ų113.155%0.54562%0.624SS.*Hα-helixtrans-68.1-37.7176.6-80167.9000112.7S646 E653 T654S646-L650 PolarHBondContact O-N 2.91Å; L650-E653 PolarHBondContact O-N 2.96Å; L650-T654 PolarHBondContact O-N 2.9Å; L650-T654 VanDerWaalsContact O-N 3.08Å; L650-T654 PolarHBondContact O-OG1 3.43Å
651L47.5Very low52.4Low109 Ų109113 Ų11357%0.57162%0.621SS**Hα-helixtrans-62.7-41.9174.4-73.8165.8000111.8T647 T648 E653 T654 D655T647-L651 WeakPolarHBondContact O-CG 3.38Å; T647-L651 PolarHBondContact O-N 2.92Å; T648-L651 PolarHBondContact O-N 3.09Å; L651-E653 PolarHBondContact O-N 2.94Å; L651-T654 WeakPolarHBondContact CA-OG1 3.48Å; L651-T654 PolarHBondContact O-N 3.04Å; L651-T654 PolarHBondContact O-OG1 3.27Å; L651-D655 PolarHBondContact O-N 2.84Å; L651-D655 VanDerWaalsContact O-N 3.1Å
652A56.6Low54.6Low56 Ų56110.4 Ų110.446%0.46361%0.61SS.*Hα-helixtrans-63.7-39.4175.800000112.8T648 A649 V656T648-A652 PolarHBondContact O-N 3.44Å; A649-A652 PolarHBondContact O-N 3.5Å; A652-V656 WeakPolarHBondContact O-CG2 3.47Å; A652-V656 PolarHBondContact O-N 2.98Å
653E51.2Low56.7Low118 Ų118110.8 Ų110.855%0.55160%0.597SS**Hα-helixtrans-67.4-35.2175.3-76-160170.200113.1A649 L650 L651 R657A649-E653 PolarHBondContact O-N 3.48Å; A649-E653 VanDerWaalsContact O-N 3.15Å; L650-E653 PolarHBondContact O-N 2.96Å; L651-E653 PolarHBondContact O-N 2.94Å; E653-R657 WeakPolarHBondContact O-CG 3.5Å; E653-R657 PolarHBondContact O-N 3.44Å
654T67.2Low59Low66 Ų66104.4 Ų104.441%0.40558%0.575SS.*Hα-helixtrans-67.7-42.1176.345.60000112.1L650 L651 R657 Q658L650-T654 PolarHBondContact O-N 2.9Å; L650-T654 VanDerWaalsContact O-N 3.08Å; L650-T654 PolarHBondContact O-OG1 3.43Å; L651-T654 WeakPolarHBondContact CA-OG1 3.48Å; L651-T654 PolarHBondContact O-N 3.04Å; L651-T654 PolarHBondContact O-OG1 3.27Å; T654-R657 PolarHBondContact O-N 2.95Å; T654-Q658 WeakPolarHBondContact O-CG 3.36Å; T654-Q658 PolarHBondContact O-N 3.35Å
655D67.8Low60.9Low101 Ų101102 Ų10254%0.5456%0.558SS.*Hα-helixtrans-66.2-42.6-179.2-73.2-1.8000111.8L651 R657 Q658 L659L651-D655 PolarHBondContact O-N 2.84Å; L651-D655 VanDerWaalsContact O-N 3.1Å; D655-R657 VanDerWaalsContact C-N 3.3Å; D655-R657 PolarHBondContact O-N 3.34Å; D655-Q658 PolarHBondContact O-N 3.06Å; D655-L659 WeakPolarHBondContact O-CB 3.32Å; D655-L659 PolarHBondContact O-N 3.29Å
656V72.8Confident62.6Low98 Ų9898.1 Ų98.159%0.59454%0.538SS*.Hα-helixtrans-61.8-39.4175.4173.20000111.2A652 L660A652-V656 WeakPolarHBondContact O-CG2 3.47Å; A652-V656 PolarHBondContact O-N 2.98Å; V656-L660 WeakPolarHBondContact O-CB 3.42Å; V656-L660 PolarHBondContact O-N 3.39Å
657R67.2Low63.8Low179 Ų17998.4 Ų98.468%0.67554%0.536SS*.Hα-helixtrans-66.6-43.2176.4-74.8179-178.2-1374.3112.4E653 T654 D655 L660 T661E653-R657 WeakPolarHBondContact O-CG 3.5Å; E653-R657 PolarHBondContact O-N 3.44Å; T654-R657 PolarHBondContact O-N 2.95Å; D655-R657 VanDerWaalsContact C-N 3.3Å; D655-R657 PolarHBondContact O-N 3.34Å; R657-L660 PolarHBondContact O-N 3.24Å; R657-T661 PolarHBondContact O-N 3.14Å; R657-T661 PolarHBondContact O-OG1 2.91Å
658Q70.6Confident65.3Low127 Ų12798.5 Ų98.559%0.59353%0.532SS*.Hα-helixtrans-65.4-40.4176.2-70-170.917.700112.1T654 D655 L660 T661 M662T654-Q658 WeakPolarHBondContact O-CG 3.36Å; T654-Q658 PolarHBondContact O-N 3.35Å; D655-Q658 PolarHBondContact O-N 3.06Å; Q658-L660 VanDerWaalsContact C-N 3.32Å; Q658-L660 PolarHBondContact O-N 3.41Å; Q658-T661 WeakPolarHBondContact CA-OG1 3.49Å; Q658-T661 PolarHBondContact O-N 3.43Å; Q658-T661 PolarHBondContact O-OG1 2.89Å; Q658-T661 VanDerWaalsContact O-OG1 3.04Å; Q658-M662 WeakPolarHBondContact O-CB 3.37Å; Q658-M662 PolarHBondContact O-N 3.19Å
659L72.6Confident66.4Low100 Ų100100 Ų10052%0.52453%0.53SS..Hα-helixtrans-64.2-38.3175.7-164.577.5000111.6D655 K663D655-L659 WeakPolarHBondContact O-CB 3.32Å; D655-L659 PolarHBondContact O-N 3.29Å; L659-K663 HydrophobicContact CG-CD 4.48Å; L659-K663 WeakPolarHBondContact O-CB 3.34Å; L659-K663 WeakPolarHBondContact O-CG 3.36Å; L659-K663 PolarHBondContact O-N 2.96Å
660L71.8Confident67.4Low113 Ų113105.9 Ų105.959%0.59254%0.54SS*.Hα-helixtrans-69-43.5177.4-151.391.5000111.7V656 R657 Q658 K663 V664V656-L660 WeakPolarHBondContact O-CB 3.42Å; V656-L660 PolarHBondContact O-N 3.39Å; R657-L660 PolarHBondContact O-N 3.24Å; Q658-L660 VanDerWaalsContact C-N 3.32Å; Q658-L660 PolarHBondContact O-N 3.41Å; L660-K663 PolarHBondContact O-N 3.43Å; L660-V664 WeakPolarHBondContact O-CB 3.49Å; L660-V664 WeakPolarHBondContact O-CG2 3.36Å; L660-V664 PolarHBondContact O-N 3.42Å
661T75.3Confident68.1Low94 Ų94107.7 Ų107.758%0.57754%0.543SS*.Hα-helixtrans-67.4-38.7177.351.90000112.1R657 Q658 V664 S665R657-T661 PolarHBondContact O-N 3.14Å; R657-T661 PolarHBondContact O-OG1 2.91Å; Q658-T661 WeakPolarHBondContact CA-OG1 3.49Å; Q658-T661 PolarHBondContact O-N 3.43Å; Q658-T661 PolarHBondContact O-OG1 2.89Å; Q658-T661 VanDerWaalsContact O-OG1 3.04Å; T661-V664 PolarHBondContact O-N 3.02Å; T661-S665 VanDerWaalsContact O-CB 3.23Å; T661-S665 WeakPolarHBondContact O-CB 3.46Å; T661-S665 PolarHBondContact O-N 3.27Å
662M72Confident68.6Low120 Ų120105.6 Ų105.659%0.59154%0.538SS*.Hα-helixtrans-61-46170.4-83.7-161.470.100112.2Q658 S665 N666Q658-M662 WeakPolarHBondContact O-CB 3.37Å; Q658-M662 PolarHBondContact O-N 3.19Å; M662-S665 PolarHBondContact O-N 3.12Å; M662-N666 WeakPolarHBondContact O-CB 3.48Å; M662-N666 VanDerWaalsContact O-CG 3.3Å; M662-N666 PolarHBondContact O-N 3.04Å; M662-N666 PolarHBondContact O-ND2 2.98Å
663K73.8Confident68.7Low131 Ų131105.8 Ų105.857%0.5754%0.536SS*.Hα-helixtrans-63-44.5178.2-78.7178.4177.8178.90111.9L659 L660 N666 V667L659-K663 HydrophobicContact CG-CD 4.48Å; L659-K663 WeakPolarHBondContact O-CB 3.34Å; L659-K663 WeakPolarHBondContact O-CG 3.36Å; L659-K663 PolarHBondContact O-N 2.96Å; L660-K663 PolarHBondContact O-N 3.43Å; K663-N666 PolarHBondContact O-N 3.2Å; K663-V667 WeakPolarHBondContact O-CG2 3.45Å; K663-V667 PolarHBondContact O-N 3.49Å
664V77.8Confident69Low77 Ų77103.9 Ų103.947%0.46753%0.532SS..Hα-helixtrans-64.9-44.1176.9171.80000111.4L660 T661 N666 V667 I668L660-V664 WeakPolarHBondContact O-CB 3.49Å; L660-V664 WeakPolarHBondContact O-CG2 3.36Å; L660-V664 PolarHBondContact O-N 3.42Å; T661-V664 PolarHBondContact O-N 3.02Å; V664-N666 VanDerWaalsContact C-N 3.34Å; V664-N666 PolarHBondContact O-N 3.09Å; V664-V667 PolarHBondContact O-N 3.25Å; V664-I668 HydrophobicContact CG1-CD1 3.8Å; V664-I668 HydrophobicContact CG1-CG1 4.46Å; V664-I668 WeakPolarHBondContact O-CG1 3.21Å; V664-I668 PolarHBondContact O-N 3.44Å
665S71.7Confident68.4Low56 Ų56105.7 Ų105.739%0.39254%0.543SS..Hα-helixtrans-61.1-41.6176.5-170.70000112T661 M662 I668 K669T661-S665 VanDerWaalsContact O-CB 3.23Å; T661-S665 WeakPolarHBondContact O-CB 3.46Å; T661-S665 PolarHBondContact O-N 3.27Å; M662-S665 PolarHBondContact O-N 3.12Å; S665-I668 PolarHBondContact O-N 2.69Å; S665-K669 WeakPolarHBondContact O-CB 3.35Å; S665-K669 WeakPolarHBondContact O-CG 3.33Å; S665-K669 PolarHBondContact O-N 3.48Å
666N71.8Confident67.7Low72 Ų72104.3 Ų104.339%0.38554%0.541SS..Hα-helixtrans-68.5-34.3175.7-74.2-19.7000113.2M662 K663 V664 R670M662-N666 WeakPolarHBondContact O-CB 3.48Å; M662-N666 VanDerWaalsContact O-CG 3.3Å; M662-N666 PolarHBondContact O-N 3.04Å; M662-N666 PolarHBondContact O-ND2 2.98Å; K663-N666 PolarHBondContact O-N 3.2Å; V664-N666 VanDerWaalsContact C-N 3.34Å; V664-N666 PolarHBondContact O-N 3.09Å; N666-R670 WeakPolarHBondContact O-CB 3.5Å; N666-R670 VanDerWaalsContact O-CG 3.3Å; N666-R670 WeakPolarHBondContact O-CG 3.42Å; N666-R670 PolarHBondContact O-N 3.37Å
667V70.3Confident66.6Low81 Ų81106.7 Ų106.749%0.49155%0.546SS..Hα-helixtrans-67.9-39.6172.5169.30000111.2K663 V664 K671K663-V667 WeakPolarHBondContact O-CG2 3.45Å; K663-V667 PolarHBondContact O-N 3.49Å; V664-V667 PolarHBondContact O-N 3.25Å; V667-K671 WeakPolarHBondContact O-CB 3.47Å; V667-K671 WeakPolarHBondContact O-CG 3.3Å; V667-K671 PolarHBondContact O-N 3.26Å
668I71.5Confident65.8Low107 Ų107105 Ų10555%0.54955%0.546SS..Hα-helixtrans-65-48.1175.1-67.8166.9000110.3V664 S665 R670 K671 S672V664-I668 HydrophobicContact CG1-CD1 3.8Å; V664-I668 HydrophobicContact CG1-CG1 4.46Å; V664-I668 WeakPolarHBondContact O-CG1 3.21Å; V664-I668 PolarHBondContact O-N 3.44Å; S665-I668 PolarHBondContact O-N 2.69Å; I668-R670 VanDerWaalsContact C-N 3.35Å; I668-R670 PolarHBondContact O-N 3.44Å; I668-K671 PolarHBondContact O-N 3.24Å; I668-K671 VanDerWaalsContact O-N 3.17Å; I668-S672 PolarHBondContact O-N 3.42Å; I668-S672 PolarHBondContact O-OG 3.21Å
669K70.4Confident64.8Low133 Ų133102.1 Ų102.158%0.57854%0.539SS*.Hα-helixtrans-59.8-40.1176.8-76.6-175.3176.7-174.60113.1S665 S672 S673S665-K669 WeakPolarHBondContact O-CB 3.35Å; S665-K669 WeakPolarHBondContact O-CG 3.33Å; S665-K669 PolarHBondContact O-N 3.48Å; K669-S672 WeakPolarHBondContact CA-OG 3.14Å; K669-S672 PolarHBondContact O-N 3.1Å; K669-S672 PolarHBondContact O-OG 3.05Å; K669-S673 PolarHBondContact O-N 3.24Å; K669-S673 PolarHBondContact O-OG 3.14Å
670R66.8Low63.6Low181 Ų181103.5 Ų103.568%0.68355%0.547SS*.Hα-helixtrans-67.7-37.7175.4-75.5176.2-177.9170.20.7112.4N666 I668 S673 T674N666-R670 WeakPolarHBondContact O-CB 3.5Å; N666-R670 VanDerWaalsContact O-CG 3.3Å; N666-R670 WeakPolarHBondContact O-CG 3.42Å; N666-R670 PolarHBondContact O-N 3.37Å; I668-R670 VanDerWaalsContact C-N 3.35Å; I668-R670 PolarHBondContact O-N 3.44Å; R670-S673 WeakPolarHBondContact CA-OG 3.36Å; R670-S673 PolarHBondContact O-OG 3.43Å; R670-T674 PolarHBondContact O-N 3.4Å; R670-T674 VanDerWaalsContact O-N 3.13Å; R670-T674 PolarHBondContact O-OG1 3.36Å; R670-T674 VanDerWaalsContact O-OG1 3.14Å
671K64.5Low62.4Low143 Ų143105.4 Ų105.462%0.62255%0.553SS**Hα-helixtrans-69.6-37.7174.5-78-170.2172.2-169.40112.5V667 I668 T674 V675V667-K671 WeakPolarHBondContact O-CB 3.47Å; V667-K671 WeakPolarHBondContact O-CG 3.3Å; V667-K671 PolarHBondContact O-N 3.26Å; I668-K671 PolarHBondContact O-N 3.24Å; I668-K671 VanDerWaalsContact O-N 3.17Å; K671-T674 WeakPolarHBondContact CA-OG1 3.5Å; K671-T674 PolarHBondContact O-OG1 3.44Å; K671-V675 WeakPolarHBondContact O-CG2 3.44Å; K671-V675 PolarHBondContact O-N 3.34Å; K671-V675 VanDerWaalsContact O-N 3.12Å
672S58.3Low61.1Low64 Ų64105.4 Ų105.445%0.44856%0.556SS.*Hα-helixtrans-67.1-40.3173.9600000111.8I668 K669 T674 V675 S676I668-S672 PolarHBondContact O-N 3.42Å; I668-S672 PolarHBondContact O-OG 3.21Å; K669-S672 WeakPolarHBondContact CA-OG 3.14Å; K669-S672 PolarHBondContact O-N 3.1Å; K669-S672 PolarHBondContact O-OG 3.05Å; S672-T674 PolarHBondContact O-N 3.28Å; S672-V675 PolarHBondContact O-N 3.14Å; S672-S676 PolarHBondContact O-N 3.45Å; S672-S676 PolarHBondContact O-OG 3.32Å
673S58.1Low59.8Low61 Ų61108.2 Ų108.243%0.42757%0.568SS.*Hα-helixtrans-65.1-36.4176.859.50000113.1K669 R670 S676 Q677K669-S673 PolarHBondContact O-N 3.24Å; K669-S673 PolarHBondContact O-OG 3.14Å; R670-S673 WeakPolarHBondContact CA-OG 3.36Å; R670-S673 PolarHBondContact O-OG 3.43Å; S673-S676 PolarHBondContact O-N 2.98Å; S673-Q677 PolarHBondContact O-N 2.96Å
674T56.6Low58.2Low78 Ų78108 Ų10848%0.47958%0.578SS.*Hα-helixtrans-70.7-30.5174.348.80000113.1R670 K671 S672 H678R670-T674 PolarHBondContact O-N 3.4Å; R670-T674 VanDerWaalsContact O-N 3.13Å; R670-T674 PolarHBondContact O-OG1 3.36Å; R670-T674 VanDerWaalsContact O-OG1 3.14Å; K671-T674 WeakPolarHBondContact CA-OG1 3.5Å; K671-T674 PolarHBondContact O-OG1 3.44Å; S672-T674 PolarHBondContact O-N 3.28Å; T674-H678 PolarHBondContact O-CD2 3.41Å; T674-H678 PolarHBondContact O-N 2.96Å
675V54.3Low56.4Low104 Ų104117.5 Ų117.563%0.6361%0.613SS**Hα-helixtrans-71.7-41.7173.7171.40000110.9K671 S672 Q677 H678 S679K671-V675 WeakPolarHBondContact O-CG2 3.44Å; K671-V675 PolarHBondContact O-N 3.34Å; K671-V675 VanDerWaalsContact O-N 3.12Å; S672-V675 PolarHBondContact O-N 3.14Å; V675-Q677 VanDerWaalsContact C-N 3.33Å; V675-Q677 PolarHBondContact O-N 3.07Å; V675-H678 PolarHBondContact O-N 3.16Å; V675-S679 PolarHBondContact O-N 3.33Å; V675-S679 VanDerWaalsContact O-N 3.08Å
676S53Low55.6Low72 Ų72120.6 Ų120.650%0.50362%0.624SS.*Hα-helixtrans-69.6-23.4176.6-62.60000114.4S672 S673 S679S672-S676 PolarHBondContact O-N 3.45Å; S672-S676 PolarHBondContact O-OG 3.32Å; S673-S676 PolarHBondContact O-N 2.98Å; S676-S679 PolarHBondContact O-OG 2.95Å
677Q50.2Low54.8Low148 Ų148123.1 Ų123.169%0.69264%0.636SS**Hα-helixtrans-78.3-29.5171.2-77.9-169.6-30.700112.9S673 V675S673-Q677 PolarHBondContact O-N 2.96Å; V675-Q677 VanDerWaalsContact C-N 3.33Å; V675-Q677 PolarHBondContact O-N 3.07Å
678H50.9Low53.9Low144 Ų144125.4 Ų125.467%0.66764%0.644SS**Hα-helixtrans-80.2-25.4174.5-83.3-57.2000114.2T674 V675 N680T674-H678 PolarHBondContact O-CD2 3.41Å; T674-H678 PolarHBondContact O-N 2.96Å; V675-H678 PolarHBondContact O-N 3.16Å; H678-N680 VanDerWaalsContact C-N 3.28Å; H678-N680 PolarHBondContact O-N 3.14Å
679S48.7Very low52.9Low65 Ų65126.5 Ų126.546%0.45565%0.65SS.*THydrogen-bonded Turntrans-70.3-21.3174.8630000114.3V675 S676V675-S679 PolarHBondContact O-N 3.33Å; V675-S679 VanDerWaalsContact O-N 3.08Å; S676-S679 PolarHBondContact O-OG 2.95Å
680N47.9Very low51.8Low129 Ų129126.1 Ų126.169%0.6965%0.654SS**THydrogen-bonded Turntrans-98.23.3-175.2-7011.8000113.8H678H678-N680 VanDerWaalsContact C-N 3.28Å; H678-N680 PolarHBondContact O-N 3.14Å
681Q47.1Very low50.8Low154 Ų154122.5 Ų122.572%0.7265%0.652SS**SBendtrans-103.9-6.5174.9-89.6-176.6-18.100114.3
682S47.7Very low49.8Very low93 Ų93121 Ų12165%0.6566%0.655SS**THydrogen-bonded Turntrans-95.224.617960.50000114.3
683Q44.6Very low49.1Very low180 Ų180125.4 Ų125.484%0.84167%0.67SS**THydrogen-bonded Turntrans-122.414.3173.7-89.6-169.9-21.200113.4
684V39.9Very low48.4Very low126 Ų126130.8 Ų130.876%0.76469%0.691SS**  trans-131.461.1177.1-167.70000110.7
685K39.7Very low47.6Very low276 Ų276135.5 Ų135.5100%1.271%0.71SS**  trans179.70155.1-104.1173.7-175.8-175.70109.1

Retrieved 685 of 685 residues in 979.1 ms (Link to these results)

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