A0A3Q0KNM4_SCHMA Loading...

RIC3 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 339 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
1M59.2Low75.7Confident220 Ų220110.5 Ų110.5100%1.08457%0.567SS**  0-31.60-79.2168.216100113.6Q3 I4M1-Q3 PolarHBondContact O-N 3.45Å; M1-I4 PolarHBondContact O-N 3.27Å
2S68.8Low76.3Confident88 Ų88110.7 Ų110.762%0.61557%0.569SS**Hα-helixtrans-64.6-32.2-173.8-39.30000116.2I4 S5 V6S2-I4 VanDerWaalsContact C-N 3.32Å; S2-I4 PolarHBondContact O-N 3.37Å; S2-S5 PolarHBondContact O-N 3.44Å; S2-V6 PolarHBondContact O-N 3.25Å
3Q67.8Low76.6Confident134 Ų134107.8 Ų107.863%0.62656%0.56SS**Hα-helixtrans-62.1-33.9179.4-76.9-87.70.400113.5M1 R7M1-Q3 PolarHBondContact O-N 3.45Å; Q3-R7 WeakPolarHBondContact O-CG 3.39Å; Q3-R7 PolarHBondContact O-N 2.88Å
4I74.6Confident77Confident113 Ų113106.9 Ų106.958%0.57956%0.555SS**Hα-helixtrans-68.3-44.1176.8-97.874.4000110.1M1 S2 V6 R7 V8M1-I4 PolarHBondContact O-N 3.27Å; S2-I4 VanDerWaalsContact C-N 3.32Å; S2-I4 PolarHBondContact O-N 3.37Å; I4-V6 PolarHBondContact O-N 3.1Å; I4-R7 PolarHBondContact O-N 2.73Å; I4-V8 HydrophobicContact CG2-CG2 4.24Å; I4-V8 VanDerWaalsContact O-CG2 3.31Å; I4-V8 WeakPolarHBondContact O-CG2 3.27Å; I4-V8 PolarHBondContact O-N 3.08Å
5S77.4Confident77.6Confident73 Ų73102.3 Ų102.351%0.5154%0.544SS..Hα-helixtrans-62.4-42.1-176.1-172.80000112S2 R7 V8 Q9S2-S5 PolarHBondContact O-N 3.44Å; S5-R7 PolarHBondContact O-N 3.07Å; S5-V8 PolarHBondContact O-N 3.32Å; S5-Q9 WeakPolarHBondContact O-CB 3.46Å; S5-Q9 PolarHBondContact O-N 3.28Å
6V76.4Confident77.8Confident71 Ų71101.4 Ų101.443%0.4354%0.543SS..Hα-helixtrans-62.2-43.9176.9178.20000111.3S2 I4 Q9 T10S2-V6 PolarHBondContact O-N 3.25Å; I4-V6 PolarHBondContact O-N 3.1Å; V6-Q9 PolarHBondContact O-N 2.71Å; V6-T10 WeakPolarHBondContact O-CG2 3.2Å; V6-T10 PolarHBondContact O-N 3.28Å; V6-T10 PolarHBondContact O-OG1 2.81Å
7R81Confident77.9Confident135 Ų13598.5 Ų98.551%0.50953%0.527SS..Hα-helixtrans-64.6-46.9178-68178.1-161.2169.24.4111.2Q3 I4 S5 Q9 T10 Y11Q3-R7 WeakPolarHBondContact O-CG 3.39Å; Q3-R7 PolarHBondContact O-N 2.88Å; I4-R7 PolarHBondContact O-N 2.73Å; S5-R7 PolarHBondContact O-N 3.07Å; R7-Q9 VanDerWaalsContact C-N 3.31Å; R7-Q9 PolarHBondContact O-N 2.79Å; R7-T10 WeakPolarHBondContact CA-OG1 3.09Å; R7-T10 PolarHBondContact O-N 3.14Å; R7-T10 VanDerWaalsContact O-N 3.13Å; R7-T10 PolarHBondContact O-OG1 3.41Å; R7-Y11 HydrophobicContact CB-CD2 4.28Å; R7-Y11 HydrophobicContact CB-CE2 4.06Å; R7-Y11 WeakPolarHBondContact O-CD2 3.19Å; R7-Y11 PolarHBondContact O-N 2.84Å
8V83.5Confident78.2Confident86 Ų8698.4 Ų98.452%0.52153%0.525SS..Hα-helixtrans-58.5-43.8177.8172.90000110.9I4 S5 T10 Y11 L12I4-V8 HydrophobicContact CG2-CG2 4.24Å; I4-V8 VanDerWaalsContact O-CG2 3.31Å; I4-V8 WeakPolarHBondContact O-CG2 3.27Å; I4-V8 PolarHBondContact O-N 3.08Å; S5-V8 PolarHBondContact O-N 3.32Å; V8-T10 PolarHBondContact O-N 3.31Å; V8-Y11 PolarHBondContact O-N 2.77Å; V8-L12 WeakPolarHBondContact O-CB 3.24Å; V8-L12 PolarHBondContact O-N 3.3Å
9Q76.3Confident78.3Confident62 Ų6295.7 Ų95.729%0.2952%0.518SS..Hα-helixtrans-62.8-42.8175.9-174.6173.9-13.500112.1S5 V6 R7 Y11 L12 V13 H110S5-Q9 WeakPolarHBondContact O-CB 3.46Å; S5-Q9 PolarHBondContact O-N 3.28Å; V6-Q9 PolarHBondContact O-N 2.71Å; R7-Q9 VanDerWaalsContact C-N 3.31Å; R7-Q9 PolarHBondContact O-N 2.79Å; Q9-Y11 VanDerWaalsContact C-N 3.34Å; Q9-Y11 PolarHBondContact O-N 2.89Å; Q9-L12 PolarHBondContact O-N 3.06Å; Q9-V13 VanDerWaalsContact O-CG2 3.28Å; Q9-V13 WeakPolarHBondContact O-CG2 3.18Å; Q9-V13 PolarHBondContact O-N 3.38Å; Q9-H110 PolarHBondContact NE2-CD2 2.73Å; Q9-H110 PolarHBondContact NE2-NE2 3.26Å; Q9-H110 PolarHBondContact OE1-CD2 2.71Å; Q9-H110 PolarHBondContact OE1-CE1 3.32Å; Q9-H110 PolarHBondContact OE1-NE2 2.92Å
10T81.9Confident78.1Confident71 Ų7193.4 Ų93.444%0.43651%0.509SS..Hα-helixtrans-63.2-40.1175.454.90000112.2V6 R7 V8 V13 L14V6-T10 WeakPolarHBondContact O-CG2 3.2Å; V6-T10 PolarHBondContact O-N 3.28Å; V6-T10 PolarHBondContact O-OG1 2.81Å; R7-T10 WeakPolarHBondContact CA-OG1 3.09Å; R7-T10 PolarHBondContact O-N 3.14Å; R7-T10 VanDerWaalsContact O-N 3.13Å; R7-T10 PolarHBondContact O-OG1 3.41Å; V8-T10 PolarHBondContact O-N 3.31Å; T10-V13 PolarHBondContact O-N 2.75Å; T10-L14 WeakPolarHBondContact O-CB 3.3Å; T10-L14 PolarHBondContact O-N 2.8Å
11Y85.5Confident78.2Confident163 Ų16395.1 Ų95.164%0.63951%0.512SS*.Hα-helixtrans-69.2-36.6177-73.3-59.8000112.6R7 V8 Q9 L14 G15R7-Y11 HydrophobicContact CB-CD2 4.28Å; R7-Y11 HydrophobicContact CB-CE2 4.06Å; R7-Y11 WeakPolarHBondContact O-CD2 3.19Å; R7-Y11 PolarHBondContact O-N 2.84Å; V8-Y11 PolarHBondContact O-N 2.77Å; Q9-Y11 VanDerWaalsContact C-N 3.34Å; Q9-Y11 PolarHBondContact O-N 2.89Å; Y11-L14 PolarHBondContact O-N 3.49Å; Y11-G15 PolarHBondContact O-N 3.48Å
12L83.1Confident79Confident112 Ų11288 Ų8859%0.58648%0.484SS*.Hα-helixtrans-62.9-47.1174.3-168.2161.8000110V8 Q9 L14 G15 V16V8-L12 WeakPolarHBondContact O-CB 3.24Å; V8-L12 PolarHBondContact O-N 3.3Å; Q9-L12 PolarHBondContact O-N 3.06Å; L12-L14 PolarHBondContact O-N 3.39Å; L12-G15 PolarHBondContact O-N 2.76Å; L12-V16 HydrophobicContact CD2-CG2 3.98Å; L12-V16 WeakPolarHBondContact O-CG2 3.09Å; L12-V16 PolarHBondContact O-N 3.28Å
13V80.2Confident79.2Confident74 Ų7489.2 Ų89.245%0.44848%0.482SS..Hα-helixtrans-60.8-45.5175.3173.90000110.9Q9 T10 G15 V16 I17Q9-V13 VanDerWaalsContact O-CG2 3.28Å; Q9-V13 WeakPolarHBondContact O-CG2 3.18Å; Q9-V13 PolarHBondContact O-N 3.38Å; T10-V13 PolarHBondContact O-N 2.75Å; V13-G15 VanDerWaalsContact C-N 3.32Å; V13-G15 PolarHBondContact O-N 3.33Å; V13-V16 PolarHBondContact O-N 3.25Å; V13-I17 HydrophobicContact CG1-CD1 3.87Å; V13-I17 WeakPolarHBondContact O-CD1 3.43Å; V13-I17 WeakPolarHBondContact O-CG1 3Å; V13-I17 PolarHBondContact O-N 3.21Å
14L82.4Confident79.3Confident95 Ų9584.7 Ų84.750%0.49746%0.462SS..Hα-helixtrans-61.2-41.4176.4-131.676.7000111.9T10 Y11 L12 I17 I18T10-L14 WeakPolarHBondContact O-CB 3.3Å; T10-L14 PolarHBondContact O-N 2.8Å; Y11-L14 PolarHBondContact O-N 3.49Å; L12-L14 PolarHBondContact O-N 3.39Å; L14-I17 WeakPolarHBondContact O-CB 2.8Å; L14-I17 PolarHBondContact O-N 3.5Å; L14-I18 VanDerWaalsContact O-CG1 3.25Å; L14-I18 WeakPolarHBondContact O-CG1 2.88Å; L14-I18 PolarHBondContact O-N 2.76Å
15G85.4Confident79.1Confident37 Ų3785.5 Ų85.538%0.38146%0.459SS..Hα-helixtrans-64.1-43.5177.700000112.1Y11 L12 V13 I17 I18 A19Y11-G15 PolarHBondContact O-N 3.48Å; L12-G15 PolarHBondContact O-N 2.76Å; V13-G15 VanDerWaalsContact C-N 3.32Å; V13-G15 PolarHBondContact O-N 3.33Å; G15-I17 VanDerWaalsContact C-N 3.32Å; G15-I17 PolarHBondContact O-N 2.96Å; G15-I18 PolarHBondContact O-N 3.44Å; G15-A19 VanDerWaalsContact O-CB 3.23Å; G15-A19 WeakPolarHBondContact O-CB 3.33Å; G15-A19 PolarHBondContact O-N 3.34Å
16V81Confident78.7Confident89 Ų8985.3 Ų85.354%0.53946%0.456SS..Hα-helixtrans-62.7-40.8174.1172.60000110.9L12 V13 A19 C20L12-V16 HydrophobicContact CD2-CG2 3.98Å; L12-V16 WeakPolarHBondContact O-CG2 3.09Å; L12-V16 PolarHBondContact O-N 3.28Å; V13-V16 PolarHBondContact O-N 3.25Å; V16-A19 PolarHBondContact O-N 3.33Å; V16-C20 VanDerWaalsContact O-CB 3.24Å; V16-C20 WeakPolarHBondContact O-CB 3.36Å; V16-C20 PolarHBondContact O-N 2.87Å
17I80.4Confident78.1Confident52 Ų5289.4 Ų89.427%0.26747%0.468SS..Hα-helixtrans-60.9-50.6175.4-70.4165.9000110.3V13 L14 G15 A19 C20 F21 F99V13-I17 HydrophobicContact CG1-CD1 3.87Å; V13-I17 WeakPolarHBondContact O-CD1 3.43Å; V13-I17 WeakPolarHBondContact O-CG1 3Å; V13-I17 PolarHBondContact O-N 3.21Å; L14-I17 WeakPolarHBondContact O-CB 2.8Å; L14-I17 PolarHBondContact O-N 3.5Å; G15-I17 VanDerWaalsContact C-N 3.32Å; G15-I17 PolarHBondContact O-N 2.96Å; I17-A19 PolarHBondContact O-N 2.9Å; I17-C20 WeakPolarHBondContact O-CB 3.21Å; I17-C20 PolarHBondContact O-N 3.29Å; I17-F21 HydrophobicContact CG2-CD2 3.6Å; I17-F21 HydrophobicContact CG2-CE2 3.4Å; I17-F21 WeakPolarHBondContact O-CD2 3.44Å; I17-F21 PolarHBondContact O-N 3.41Å; I17-F99 HydrophobicContact CD1-CE2 4.45Å
18I83.3Confident77.4Confident96 Ų9684.2 Ų84.249%0.49245%0.45SS..Hα-helixtrans-64.6-41.3-179.8-66.5162.8000111.1L14 G15 C20 F21 S22L14-I18 VanDerWaalsContact O-CG1 3.25Å; L14-I18 WeakPolarHBondContact O-CG1 2.88Å; L14-I18 PolarHBondContact O-N 2.76Å; G15-I18 PolarHBondContact O-N 3.44Å; I18-C20 VanDerWaalsContact C-N 3.35Å; I18-F21 CarbonylContact O-C 3.5Å; I18-F21 PolarHBondContact O-N 2.85Å; I18-S22 VanDerWaalsContact O-CB 3.3Å; I18-S22 WeakPolarHBondContact O-CB 3.38Å; I18-S22 PolarHBondContact O-N 2.78Å; I18-S22 PolarHBondContact O-OG 2.88Å
19A79Confident76.5Confident48 Ų4884.6 Ų84.640%0.39745%0.445SS..Hα-helixtrans-63.6-42.1176.400000111.1G15 V16 I17 S22 I23G15-A19 VanDerWaalsContact O-CB 3.23Å; G15-A19 WeakPolarHBondContact O-CB 3.33Å; G15-A19 PolarHBondContact O-N 3.34Å; V16-A19 PolarHBondContact O-N 3.33Å; I17-A19 PolarHBondContact O-N 2.9Å; A19-S22 PolarHBondContact O-N 2.77Å; A19-I23 VanDerWaalsContact O-CG1 3.29Å; A19-I23 WeakPolarHBondContact O-CG1 3.29Å; A19-I23 PolarHBondContact O-N 3.29Å
20C74.5Confident75.8Confident49 Ų4987.2 Ų87.233%0.33146%0.457SS..Hα-helixtrans-60.2-50.4173.9-168.70000110.4V16 I17 I18 S22 I23 L24V16-C20 VanDerWaalsContact O-CB 3.24Å; V16-C20 WeakPolarHBondContact O-CB 3.36Å; V16-C20 PolarHBondContact O-N 2.87Å; I17-C20 WeakPolarHBondContact O-CB 3.21Å; I17-C20 PolarHBondContact O-N 3.29Å; I18-C20 VanDerWaalsContact C-N 3.35Å; C20-S22 VanDerWaalsContact C-N 3.29Å; C20-S22 PolarHBondContact O-N 3.44Å; C20-I23 PolarHBondContact O-N 3.48Å; C20-L24 WeakPolarHBondContact O-CB 3.5Å; C20-L24 PolarHBondContact O-N 2.9Å
21F80.3Confident74.9Confident129 Ų12987.6 Ų87.657%0.56646%0.46SS*.Hα-helixtrans-59.2-38.2173.9-77.8-65.7000112.5I17 I18 I23 L24 Y25I17-F21 HydrophobicContact CG2-CD2 3.6Å; I17-F21 HydrophobicContact CG2-CE2 3.4Å; I17-F21 WeakPolarHBondContact O-CD2 3.44Å; I17-F21 PolarHBondContact O-N 3.41Å; I18-F21 CarbonylContact O-C 3.5Å; I18-F21 PolarHBondContact O-N 2.85Å; F21-I23 VanDerWaalsContact C-N 3.33Å; F21-I23 PolarHBondContact O-N 3.24Å; F21-L24 PolarHBondContact O-N 3.35Å; F21-Y25 WeakPolarHBondContact O-CA 3.31Å; F21-Y25 WeakPolarHBondContact O-CB 3.43Å; F21-Y25 PolarHBondContact O-N 3.44Å
22S77.2Confident73.8Confident71 Ų7185.4 Ų85.450%0.49746%0.457SS..Hα-helixtrans-71.3-26.2-178.8-58.60000113.2I18 A19 C20 P26I18-S22 VanDerWaalsContact O-CB 3.3Å; I18-S22 WeakPolarHBondContact O-CB 3.38Å; I18-S22 PolarHBondContact O-N 2.78Å; I18-S22 PolarHBondContact O-OG 2.88Å; A19-S22 PolarHBondContact O-N 2.77Å; C20-S22 VanDerWaalsContact C-N 3.29Å; C20-S22 PolarHBondContact O-N 3.44Å; S22-P26 WeakPolarHBondContact O-CD 3.4Å; S22-P26 WeakPolarHBondContact O-CG 3.09Å
23I73Confident72.8Confident114 Ų11483 Ų8359%0.58545%0.445SS*.Hα-helixtrans-88.9-34.2175-63.5163.7000110.3A19 C20 F21 K27A19-I23 VanDerWaalsContact O-CG1 3.29Å; A19-I23 WeakPolarHBondContact O-CG1 3.29Å; A19-I23 PolarHBondContact O-N 3.29Å; C20-I23 PolarHBondContact O-N 3.48Å; F21-I23 VanDerWaalsContact C-N 3.33Å; F21-I23 PolarHBondContact O-N 3.24Å; I23-K27 WeakPolarHBondContact O-CB 3.23Å
24L70.1Confident71.9Confident38 Ų3883.2 Ų83.220%0.19944%0.443CS..Hα-helixtrans-77.1-35.7-179.8-154.478000112.1C20 F21 K27 I28C20-L24 WeakPolarHBondContact O-CB 3.5Å; C20-L24 PolarHBondContact O-N 2.9Å; F21-L24 PolarHBondContact O-N 3.35Å; L24-K27 PolarHBondContact O-N 3.37Å; L24-I28 HydrophobicContact CB-CD1 4.36Å; L24-I28 HydrophobicContact CD1-CD1 3.18Å; L24-I28 HydrophobicContact CG-CD1 3.45Å; L24-I28 VanDerWaalsContact CG-CD1 3.45Å; L24-I28 WeakPolarHBondContact O-CB 3Å; L24-I28 PolarHBondContact O-N 3.33Å
25Y68.7Low70.9Confident131 Ų13185.8 Ų85.851%0.51445%0.452SS..Iπ-helixtrans-60.3-54.4178.3-168.3-94.4000112.7F21 K27 F29 H30F21-Y25 WeakPolarHBondContact O-CA 3.31Å; F21-Y25 WeakPolarHBondContact O-CB 3.43Å; F21-Y25 PolarHBondContact O-N 3.44Å; Y25-K27 PolarHBondContact O-N 3.01Å; Y25-F29 HydrophobicContact CD1-CB 4.48Å; Y25-F29 HydrophobicContact CD2-CB 3.67Å; Y25-F29 HydrophobicContact CD2-CD1 4.04Å; Y25-F29 AromaticContact CD2-CD2 3.52Å; Y25-F29 HydrophobicContact CD2-CD2 3.52Å; Y25-F29 HydrophobicContact CD2-CE2 4.1Å; Y25-F29 AromaticContact CD2-CG 3.46Å; Y25-F29 HydrophobicContact CD2-CG 3.46Å; Y25-F29 VanDerWaalsContact CD2-CG 3.46Å; Y25-F29 HydrophobicContact CE2-CB 3.78Å; Y25-F29 AromaticContact CE2-CD1 3.78Å; Y25-F29 HydrophobicContact CE2-CD1 3.78Å; Y25-F29 HydrophobicContact CE2-CD2 4.13Å; Y25-F29 HydrophobicContact CE2-CE1 4.37Å; Y25-F29 AromaticContact CE2-CG 3.63Å; Y25-F29 HydrophobicContact CE2-CG 3.63Å; Y25-F29 HydrophobicContact CG-CB 4.04Å; Y25-F29 HydrophobicContact CG-CD2 4.24Å; Y25-F29 HydrophobicContact CG-CG 4.25Å; Y25-F29 WeakPolarHBondContact O-CA 3.25Å; Y25-F29 WeakPolarHBondContact O-CB 3.33Å; Y25-F29 PolarHBondContact O-N 3.23Å; Y25-H30 PolarHBondContact O-N 3.29Å
26P69.4Low69.6Low69 Ų6991.3 Ų91.345%0.44847%0.472SS..Iπ-helixtrans-68-23.7176.828.5-35.4000112.7S22 H30S22-P26 WeakPolarHBondContact O-CD 3.4Å; S22-P26 WeakPolarHBondContact O-CG 3.09Å; P26-H30 WeakPolarHBondContact O-CB 3.23Å
27K64.5Low68.6Low157 Ų15792.1 Ų92.168%0.68347%0.473SS*.Iπ-helixtrans-86.5-35179.3-86.7-142.3162.784.10114.7I23 L24 Y25 P31I23-K27 WeakPolarHBondContact O-CB 3.23Å; L24-K27 PolarHBondContact O-N 3.37Å; Y25-K27 PolarHBondContact O-N 3.01Å; K27-P31 VanDerWaalsContact O-CD 3.31Å; K27-P31 WeakPolarHBondContact O-CD 3.49Å; K27-P31 WeakPolarHBondContact O-CG 3.03Å
28I66.1Low67.3Low25 Ų2592.3 Ų92.313%0.12849%0.487CS..Iπ-helixtrans-118-35.5-171.2-68.7115.9000112.5L24 P31 M32L24-I28 HydrophobicContact CB-CD1 4.36Å; L24-I28 HydrophobicContact CD1-CD1 3.18Å; L24-I28 HydrophobicContact CG-CD1 3.45Å; L24-I28 VanDerWaalsContact CG-CD1 3.45Å; L24-I28 WeakPolarHBondContact O-CB 3Å; L24-I28 PolarHBondContact O-N 3.33Å; I28-P31 WeakPolarHBondContact O-CD 3.24Å; I28-M32 HydrophobicContact CG2-CE 3.55Å; I28-M32 VanDerWaalsContact O-CB 3.23Å; I28-M32 WeakPolarHBondContact O-CB 3.41Å; I28-M32 PolarHBondContact O-N 3.29Å
29F63.4Low65.8Low94 Ų9495.4 Ų95.441%0.41250%0.498SS..Iπ-helixtrans-73-32.7171.9-78.1-100.1000111.1Y25 M32 L33Y25-F29 HydrophobicContact CD1-CB 4.48Å; Y25-F29 HydrophobicContact CD2-CB 3.67Å; Y25-F29 HydrophobicContact CD2-CD1 4.04Å; Y25-F29 AromaticContact CD2-CD2 3.52Å; Y25-F29 HydrophobicContact CD2-CD2 3.52Å; Y25-F29 HydrophobicContact CD2-CE2 4.1Å; Y25-F29 AromaticContact CD2-CG 3.46Å; Y25-F29 HydrophobicContact CD2-CG 3.46Å; Y25-F29 VanDerWaalsContact CD2-CG 3.46Å; Y25-F29 HydrophobicContact CE2-CB 3.78Å; Y25-F29 AromaticContact CE2-CD1 3.78Å; Y25-F29 HydrophobicContact CE2-CD1 3.78Å; Y25-F29 HydrophobicContact CE2-CD2 4.13Å; Y25-F29 HydrophobicContact CE2-CE1 4.37Å; Y25-F29 AromaticContact CE2-CG 3.63Å; Y25-F29 HydrophobicContact CE2-CG 3.63Å; Y25-F29 HydrophobicContact CG-CB 4.04Å; Y25-F29 HydrophobicContact CG-CD2 4.24Å; Y25-F29 HydrophobicContact CG-CG 4.25Å; Y25-F29 WeakPolarHBondContact O-CA 3.25Å; Y25-F29 WeakPolarHBondContact O-CB 3.33Å; Y25-F29 PolarHBondContact O-N 3.23Å; F29-M32 PolarHBondContact O-N 3.3Å; F29-L33 HydrophobicContact CD1-CD1 4.22Å; F29-L33 WeakPolarHBondContact O-CA 3.44Å; F29-L33 WeakPolarHBondContact O-CB 3.11Å; F29-L33 PolarHBondContact O-N 3.48Å
30H63.6Low64.3Low118 Ų11895.9 Ų95.955%0.54650%0.496SS..Hα-helixtrans-58.4-50.8178.3-134.5-68.3000113.7Y25 P26 L34Y25-H30 PolarHBondContact O-N 3.29Å; P26-H30 WeakPolarHBondContact O-CB 3.23Å; H30-L34 WeakPolarHBondContact ND1-CD1 3.34Å; H30-L34 WeakPolarHBondContact O-CB 3.47Å; H30-L34 WeakPolarHBondContact O-CD1 3.33Å; H30-L34 WeakPolarHBondContact O-CG 3.25Å; H30-L34 PolarHBondContact O-N 3.39Å
31P62.9Low63Low78 Ų78101.4 Ų101.451%0.50651%0.514SS..Hα-helixtrans-72.3-32.8176.426.9-33.8000113.2K27 I28 H35K27-P31 VanDerWaalsContact O-CD 3.31Å; K27-P31 WeakPolarHBondContact O-CD 3.49Å; K27-P31 WeakPolarHBondContact O-CG 3.03Å; I28-P31 WeakPolarHBondContact O-CD 3.24Å; P31-H35 WeakPolarHBondContact O-CB 3.37Å; P31-H35 PolarHBondContact O-N 3.45Å; P31-H35 VanDerWaalsContact O-N 3.14Å
32M61.2Low61.4Low117 Ų117101.9 Ų101.958%0.57652%0.523SS*.Hα-helixtrans-87-34.4-173.8-142.9-168.5-53.500113.5I28 F29 H35 L36I28-M32 HydrophobicContact CG2-CE 3.55Å; I28-M32 VanDerWaalsContact O-CB 3.23Å; I28-M32 WeakPolarHBondContact O-CB 3.41Å; I28-M32 PolarHBondContact O-N 3.29Å; F29-M32 PolarHBondContact O-N 3.3Å; M32-H35 CarbonylContact O-C 3.59Å; M32-H35 PolarHBondContact O-N 3.4Å; M32-L36 VanDerWaalsContact O-CB 3.24Å; M32-L36 WeakPolarHBondContact O-CB 3.41Å; M32-L36 PolarHBondContact O-N 3.2Å
33L62.6Low59.6Low63 Ų63108.3 Ų108.333%0.3354%0.536SS..Hα-helixtrans-74-34.1173.2-164.9145.6000110.4F29 H35 L36 L37F29-L33 HydrophobicContact CD1-CD1 4.22Å; F29-L33 WeakPolarHBondContact O-CA 3.44Å; F29-L33 WeakPolarHBondContact O-CB 3.11Å; F29-L33 PolarHBondContact O-N 3.48Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-L36 PolarHBondContact O-N 3.27Å; L33-L37 HydrophobicContact CD1-CD1 4.43Å; L33-L37 HydrophobicContact CD2-CD1 3.63Å; L33-L37 HydrophobicContact CG-CD1 3.58Å; L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 PolarHBondContact O-N 2.92Å
34L60.9Low57.9Low77 Ų77111.2 Ų111.240%0.40355%0.547SS..Hα-helixtrans-67.5-33.3167.6-72.8171.1000112.3H30 F39H30-L34 WeakPolarHBondContact ND1-CD1 3.34Å; H30-L34 WeakPolarHBondContact O-CB 3.47Å; H30-L34 WeakPolarHBondContact O-CD1 3.33Å; H30-L34 WeakPolarHBondContact O-CG 3.25Å; H30-L34 PolarHBondContact O-N 3.39Å; L34-F39 HydrophobicContact CD2-CB 4.24Å
35H61.8Low56.6Low149 Ų149114.8 Ų114.869%0.6957%0.57SS**Hα-helixtrans-72.2-32.8172.7-119-117.6000113.2P31 M32 L33P31-H35 WeakPolarHBondContact O-CB 3.37Å; P31-H35 PolarHBondContact O-N 3.45Å; P31-H35 VanDerWaalsContact O-N 3.14Å; M32-H35 CarbonylContact O-C 3.59Å; M32-H35 PolarHBondContact O-N 3.4Å; L33-H35 VanDerWaalsContact C-N 3.34Å
36L58.2Low55.3Low154 Ų154116.4 Ų116.481%0.80658%0.582SS**Hα-helixtrans-91.4-33.4-176.3-163.372.1000113.3M32 L33 G38M32-L36 VanDerWaalsContact O-CB 3.24Å; M32-L36 WeakPolarHBondContact O-CB 3.41Å; M32-L36 PolarHBondContact O-N 3.2Å; L33-L36 PolarHBondContact O-N 3.27Å; L36-G38 VanDerWaalsContact C-N 3.26Å; L36-G38 PolarHBondContact O-N 3.48Å
37L59.1Low54Low105 Ų105121.9 Ų121.955%0.5560%0.602SS.*THydrogen-bonded Turntrans-86.315.6173.3-8997.9000113.8L33 F39L33-L37 HydrophobicContact CD1-CD1 4.43Å; L33-L37 HydrophobicContact CD2-CD1 3.63Å; L33-L37 HydrophobicContact CG-CD1 3.58Å; L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 PolarHBondContact O-N 2.92Å; L37-F39 HydrophobicContact CB-CD2 4.42Å; L37-F39 WeakPolarHBondContact O-CD2 3.11Å; L37-F39 PolarHBondContact O-N 3.13Å; L37-F39 VanDerWaalsContact O-N 3.08Å
38G53.4Low52.7Low56 Ų56122.4 Ų122.458%0.57761%0.607SS**THydrogen-bonded Turntrans66.219.5161.800000115.8L36 T40L36-G38 VanDerWaalsContact C-N 3.26Å; L36-G38 PolarHBondContact O-N 3.48Å; G38-T40 PolarHBondContact O-N 2.83Å
39F51.9Low51.5Low161 Ų161127.1 Ų127.171%0.70664%0.637SS**  trans-88.423171.4-72.4-71.4000112.7L34 L37 K41L34-F39 HydrophobicContact CD2-CB 4.24Å; L37-F39 HydrophobicContact CB-CD2 4.42Å; L37-F39 WeakPolarHBondContact O-CD2 3.11Å; L37-F39 PolarHBondContact O-N 3.13Å; L37-F39 VanDerWaalsContact O-N 3.08Å; F39-K41 PolarHBondContact O-N 3.01Å; F39-K41 VanDerWaalsContact O-N 3.1Å
40T48.4Very low50.4Low58 Ų58132.3 Ų132.336%0.35666%0.659SS.*  trans-75.997.9163.361.40000107.6G38 N42G38-T40 PolarHBondContact O-N 2.83Å; T40-N42 PolarHBondContact O-N 3.36Å
41K47Very low49.1Very low166 Ų166136.5 Ų136.572%0.72268%0.676SS**  trans-62.282.1171.6-179.5170.6168.8173.90108.9F39 R43F39-K41 PolarHBondContact O-N 3.01Å; F39-K41 VanDerWaalsContact O-N 3.1Å; K41-R43 VanDerWaalsContact C-N 3.26Å; K41-R43 HydrophobicContact CG-CG 4.19Å; K41-R43 PolarHBondContact O-N 3.26Å
42N45.4Very low48.5Very low139 Ų139140.4 Ų140.474%0.74369%0.688SS**  trans-63.485.6168-76.8-20000108.6T40T40-N42 PolarHBondContact O-N 3.36Å
43R40Very low47.6Very low205 Ų205140.1 Ų140.177%0.77469%0.689SS**  trans-99.167.7163.2-83.4-170.5133.7167.7-2.5109.3K41K41-R43 VanDerWaalsContact C-N 3.26Å; K41-R43 HydrophobicContact CG-CG 4.19Å; K41-R43 PolarHBondContact O-N 3.26Å
44H36.9Very low46.6Very low176 Ų176145.6 Ų145.682%0.81571%0.71SS**  trans-163.270.2158.6-143.7-84.1000113.1
45T43.9Very low45.5Very low113 Ų113153.4 Ų153.469%0.69373%0.734SS**  trans-157.495.7163.1-36.20000106.7
46E40.9Very low44.5Very low164 Ų164153 Ų15377%0.76674%0.737SS**  56.475.7109.2-65-176.216700113.1
47E42.7Very low43.6Very low185 Ų185153.1 Ų153.186%0.86474%0.738SS**  trans-93.988.5152.9-69.4-149.315400108.8T49E47-T49 PolarHBondContact O-N 3.38Å
48H37.2Very low42.6Very low167 Ų167151.9 Ų151.977%0.77375%0.75SS**  trans-57.5111.2143.8-84.4-101.7000107
49T40.6Very low42Very low124 Ų124158.1 Ų158.176%0.76176%0.764SS**  trans153.291.4149.843.80000111.7E47E47-T49 PolarHBondContact O-N 3.38Å
50K40.8Very low41.7Very low203 Ų203158.1 Ų158.188%0.88377%0.766SS**  trans-173.4105.9134.5-117.3174.5173.6176.60110.7E52K50-E52 PolarHBondContact O-N 2.68Å
51F36.4Very low41.5Very low207 Ų207160.3 Ų160.391%0.90878%0.779SS**  trans-44.4126.9144.3-101.8-108.1000109.3
52E49.7Very low41.1Very low159 Ų159161.3 Ų161.374%0.74379%0.787SS**  trans17397.8146.9-82.9-123.9114.100106.2K50K50-E52 PolarHBondContact O-N 2.68Å
53N41.8Very low41.1Very low112 Ų112164.4 Ų164.460%0.59979%0.793SS**  87105.999.6-78.8-37.9000113.6
54F41.9Very low41.5Very low177 Ų177159.8 Ų159.878%0.77679%0.79SS**  trans56.9107.3139.8-72-90.4000119.5
55R37.6Very low41.8Very low242 Ų242158.5 Ų158.591%0.91379%0.787SS**  168.298.1121.2-93.6166.3151.2143.6-3.3109.4
56L41.1Very low41.8Very low141 Ų141164.1 Ų164.174%0.73880%0.796SS**  56111.683.7-122.6134.8000114.3
57N39Very low42Very low156 Ų156160.8 Ų160.883%0.83480%0.797SS**  trans74.1127.7158.6-72.5-1.4000120.5
58G38Very low42.2Very low78 Ų78156.6 Ų156.680%0.80479%0.788SS**  trans159.884.4152.800000115.8
59H41.1Very low42.6Very low187 Ų187157 Ų15787%0.86679%0.79SS**  trans-49.6153.9165.7-113.2-122.4000114.1
60H46.6Very low42.5Very low161 Ų161155.3 Ų155.375%0.74580%0.797SS**  trans113.5125.6137.5-146.357.9000119.5
61T42.5Very low42.5Very low105 Ų105151.6 Ų151.664%0.64479%0.785SS**  trans84.2107.1142.236.70000123
62Q39Very low42.8Very low187 Ų187148.9 Ų148.987%0.87479%0.785SS**  trans-42.8146.9143-68174.2-22.700113.7
63K45.6Very low42.5Very low203 Ų203148.6 Ų148.688%0.88378%0.784SS**  trans-162.9144.6133-102.5163.4-169.2-176.70111.2
64P47.5Very low42.4Very low109 Ų109150.4 Ų150.471%0.70879%0.789SS**  trans-103.8-167.4-17235.5-20.5000112.7
65I45.2Very low42.3Very low148 Ų148149 Ų14976%0.75979%0.789SS**  trans101111.6165.2-50.3153.3000114.1
66R43.6Very low42.6Very low232 Ų232145 Ų14588%0.87578%0.781SS**  165.8131.598-147.7167.1-141.21533112.9
67A43.6Very low42.9Very low94 Ų94140.3 Ų140.378%0.77777%0.767SS**  trans-5.1131157.900000120.4
68S48.6Very low43.6Very low97 Ų97143.1 Ų143.168%0.67877%0.771SS**  -169.1121.5124.7590000111.1
69E43.6Very low44.1Very low176 Ų176150.9 Ų150.982%0.82278%0.776SS**  trans77.9112.2140.2-61.6165.5-166.300118.7I71E69-I71 PolarHBondContact O-N 2.87Å; E69-I71 VanDerWaalsContact O-N 3.07Å
70G39.1Very low44.9Very low87 Ų87143.9 Ų143.990%0.89776%0.755SS**  trans-63.7103.8177.800000111.8
71I41.5Very low45.8Very low126 Ų126139.3 Ų139.365%0.64675%0.752SS**  trans-101.9108.8156.6-56.7177.7000105.1E69 Q73E69-I71 PolarHBondContact O-N 2.87Å; E69-I71 VanDerWaalsContact O-N 3.07Å; I71-Q73 HydrophobicContact CG2-CB 4.07Å; I71-Q73 HydrophobicContact CG2-CG 3.68Å; I71-Q73 PolarHBondContact O-N 2.88Å
72V42.9Very low47.1Very low149 Ų149140.5 Ų140.590%0.90375%0.752SS**  trans-68.475.1161.4-179.50000106.4Q74V72-Q74 PolarHBondContact O-N 3.36Å
73Q42.7Very low48.4Very low153 Ų153138.6 Ų138.672%0.71575%0.745SS**  trans-79.796.5163.6-106.8170.840.500104.9I71 D75I71-Q73 HydrophobicContact CG2-CB 4.07Å; I71-Q73 HydrophobicContact CG2-CG 3.68Å; I71-Q73 PolarHBondContact O-N 2.88Å; Q73-D75 PolarHBondContact O-N 3.44Å
74Q40.2Very low49.6Very low151 Ų151132.9 Ų132.971%0.70673%0.731SS**  trans-66.583.5165.9-171.3178.8-900107.4V72 Q76V72-Q74 PolarHBondContact O-N 3.36Å; Q74-Q76 HydrophobicContact CG-CG 4.16Å; Q74-Q76 PolarHBondContact O-N 3.38Å
75D40.3Very low51Low146 Ų146132.7 Ų132.778%0.78172%0.723SS**  trans-6976.7169-169.315.6000108.1Q73 G77Q73-D75 PolarHBondContact O-N 3.44Å; D75-G77 PolarHBondContact O-N 2.99Å
76Q42.9Very low52.8Low160 Ų160129.8 Ų129.875%0.74871%0.712SS**  trans-77.488162.4-83.6-166.3-6.600108.1Q74 K78Q74-Q76 HydrophobicContact CG-CG 4.16Å; Q74-Q76 PolarHBondContact O-N 3.38Å; Q76-K78 PolarHBondContact O-N 2.97Å
77G47.9Very low54.3Low42 Ų42125.3 Ų125.343%0.43371%0.705SS.*  trans-48.4128179.600000113.7D75 R79D75-G77 PolarHBondContact O-N 2.99Å; G77-R79 PolarHBondContact O-N 3.48Å
78K54Low56.1Low215 Ų215122.8 Ų122.894%0.93568%0.68SS**SBendtrans51.122.8130.5-70.1165.5177.5175.20118.5Q76Q76-K78 PolarHBondContact O-N 2.97Å
79R48.2Very low57.7Low240 Ų240122.6 Ų122.691%0.90668%0.675SS**  trans-130.615.5172.5-70.5-172.1166.4-169.5-3.5114.2G77G77-R79 PolarHBondContact O-N 3.48Å
80G56.8Low59.6Low41 Ų41122.1 Ų122.142%0.42367%0.667SS.*  trans-96.725-170.700000117.4I82 S84G80-I82 PolarHBondContact O-N 3.34Å; G80-S84 WeakPolarHBondContact O-CB 3.2Å; G80-S84 PolarHBondContact O-N 3.44Å; G80-S84 PolarHBondContact O-OG 3.33Å
81G66.6Low61.7Low65 Ų65119.9 Ų119.967%0.6764%0.64SS**THydrogen-bonded Turntrans-64.9-33.7-168.100000115.8
82I69.1Low63.7Low129 Ų129116.2 Ų116.266%0.66262%0.623SS**THydrogen-bonded Turntrans-107.8-28.817864171000113.2G80 S84 I85 V86G80-I82 PolarHBondContact O-N 3.34Å; I82-S84 VanDerWaalsContact C-N 3.29Å; I82-S84 PolarHBondContact O-N 3.49Å; I82-I85 WeakPolarHBondContact O-CG2 3.38Å; I82-I85 PolarHBondContact O-N 3.28Å; I82-V86 WeakPolarHBondContact O-CG2 3.36Å; I82-V86 PolarHBondContact O-N 3.04Å
83M66.3Low65.7Low148 Ų148110.8 Ų110.873%0.72960%0.598SS**Hα-helixtrans-69.6-29.4179.8-69.4-65-166.800112I85M83-I85 VanDerWaalsContact C-N 3.35Å
84S71.1Confident67.8Low83 Ų83106.6 Ų106.658%0.5858%0.579SS**Hα-helixtrans-74-22.7176.161.50000113.8G80 I82 P88G80-S84 WeakPolarHBondContact O-CB 3.2Å; G80-S84 PolarHBondContact O-N 3.44Å; G80-S84 PolarHBondContact O-OG 3.33Å; I82-S84 VanDerWaalsContact C-N 3.29Å; I82-S84 PolarHBondContact O-N 3.49Å; S84-P88 WeakPolarHBondContact O-CD 3.49Å; S84-P88 WeakPolarHBondContact O-CG 3.31Å
85I77.3Confident69.9Low104 Ų104101.9 Ų101.953%0.53356%0.561SS.*Hα-helixtrans-86.9-28.9177.6-159.4149.4000112.4I82 M83 L87 P88 V89I82-I85 WeakPolarHBondContact O-CG2 3.38Å; I82-I85 PolarHBondContact O-N 3.28Å; M83-I85 VanDerWaalsContact C-N 3.35Å; I85-L87 VanDerWaalsContact C-N 3.35Å; I85-L87 PolarHBondContact O-N 3.41Å; I85-P88 WeakPolarHBondContact O-CD 3.44Å; I85-P88 WeakPolarHBondContact O-CG 3.42Å; I85-V89 HydrophobicContact CG1-CG2 4.26Å; I85-V89 WeakPolarHBondContact O-CB 3.21Å; I85-V89 WeakPolarHBondContact O-CG2 3.4Å; I85-V89 PolarHBondContact O-N 2.91Å
86V82.6Confident72Confident88 Ų88100.2 Ų100.253%0.53355%0.551SS.*Hα-helixtrans-63.8-40179171.50000111.8I82 V89 Y90I82-V86 WeakPolarHBondContact O-CG2 3.36Å; I82-V86 PolarHBondContact O-N 3.04Å; V86-V89 PolarHBondContact O-N 3.34Å; V86-Y90 WeakPolarHBondContact O-CB 3.37Å; V86-Y90 PolarHBondContact O-N 3.39Å
87L74.7Confident74Confident138 Ų138100 Ų10072%0.72355%0.545SS*.Hα-helixtrans-62.9-49.5-176.2-164.4134.4000114I85 A91I85-L87 VanDerWaalsContact C-N 3.35Å; I85-L87 PolarHBondContact O-N 3.41Å; L87-A91 PolarHBondContact O-N 3.48Å
88P81.4Confident75.6Confident41 Ų41102.4 Ų102.427%0.26655%0.547SS..Hα-helixtrans-70.3-31.8173.226.2-33.4000113.1S84 I85 Y90 A91 V92S84-P88 WeakPolarHBondContact O-CD 3.49Å; S84-P88 WeakPolarHBondContact O-CG 3.31Å; I85-P88 WeakPolarHBondContact O-CD 3.44Å; I85-P88 WeakPolarHBondContact O-CG 3.42Å; P88-Y90 VanDerWaalsContact C-N 3.33Å; P88-Y90 PolarHBondContact O-N 2.88Å; P88-A91 PolarHBondContact O-N 3.14Å; P88-V92 WeakPolarHBondContact O-CG2 3.39Å; P88-V92 PolarHBondContact O-N 3.39Å
89V82.9Confident76.9Confident93 Ų9397.7 Ų97.756%0.56453%0.527SS*.Hα-helixtrans-62.4-41.3175.1167.50000111.2I85 V86 V92 G93I85-V89 HydrophobicContact CG1-CG2 4.26Å; I85-V89 WeakPolarHBondContact O-CB 3.21Å; I85-V89 WeakPolarHBondContact O-CG2 3.4Å; I85-V89 PolarHBondContact O-N 2.91Å; V86-V89 PolarHBondContact O-N 3.34Å; V89-V92 PolarHBondContact O-N 2.85Å; V89-G93 PolarHBondContact O-N 2.88Å
90Y84.1Confident78.4Confident165 Ų16592.4 Ų92.465%0.64751%0.508SS*.Hα-helixtrans-63.9-42.6175.7-177.6-109.3000112V86 P88 V92 G93 I94V86-Y90 WeakPolarHBondContact O-CB 3.37Å; V86-Y90 PolarHBondContact O-N 3.39Å; P88-Y90 VanDerWaalsContact C-N 3.33Å; P88-Y90 PolarHBondContact O-N 2.88Å; Y90-V92 VanDerWaalsContact C-N 3.35Å; Y90-V92 PolarHBondContact O-N 3.21Å; Y90-G93 PolarHBondContact O-N 3.23Å; Y90-G93 VanDerWaalsContact O-N 3.14Å; Y90-I94 HydrophobicContact CD1-CD1 3.5Å; Y90-I94 HydrophobicContact CD1-CG1 4.27Å; Y90-I94 HydrophobicContact CE1-CD1 3.12Å; Y90-I94 HydrophobicContact CE1-CG1 3.93Å; Y90-I94 HydrophobicContact CE2-CD1 4.33Å; Y90-I94 HydrophobicContact CE2-CG1 4.25Å; Y90-I94 HydrophobicContact CG-CD1 4.25Å; Y90-I94 WeakPolarHBondContact O-CG1 3.46Å; Y90-I94 PolarHBondContact O-N 2.92Å
91A82.5Confident79.6Confident40 Ų4093 Ų9333%0.33150%0.503SS..Hα-helixtrans-59.6-44.9175.500000111.8L87 P88 G93 I94 V95L87-A91 PolarHBondContact O-N 3.48Å; P88-A91 PolarHBondContact O-N 3.14Å; A91-G93 VanDerWaalsContact C-N 3.33Å; A91-G93 PolarHBondContact O-N 3.43Å; A91-I94 PolarHBondContact O-N 3.44Å; A91-V95 VanDerWaalsContact O-CG2 3.25Å; A91-V95 WeakPolarHBondContact O-CG2 3.28Å; A91-V95 PolarHBondContact O-N 3.45Å
92V82.2Confident80.2Confident49 Ų4994.3 Ų94.330%0.29749%0.494SS..Hα-helixtrans-62.7-41174.6175.90000111P88 V89 Y90 V95 L96P88-V92 WeakPolarHBondContact O-CG2 3.39Å; P88-V92 PolarHBondContact O-N 3.39Å; V89-V92 PolarHBondContact O-N 2.85Å; Y90-V92 VanDerWaalsContact C-N 3.35Å; Y90-V92 PolarHBondContact O-N 3.21Å; V92-V95 PolarHBondContact O-N 3.38Å; V92-L96 HydrophobicContact CG1-CD1 4.11Å; V92-L96 HydrophobicContact CG1-CG 4.4Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 2.8Å
93G86.6Confident80.6Confident36 Ų3690.3 Ų90.337%0.37148%0.478SS..Hα-helixtrans-60-46.3176.300000113.1V89 Y90 A91 V95 L96 Y97V89-G93 PolarHBondContact O-N 2.88Å; Y90-G93 PolarHBondContact O-N 3.23Å; Y90-G93 VanDerWaalsContact O-N 3.14Å; A91-G93 VanDerWaalsContact C-N 3.33Å; A91-G93 PolarHBondContact O-N 3.43Å; G93-V95 VanDerWaalsContact C-N 3.34Å; G93-V95 PolarHBondContact O-N 2.91Å; G93-L96 PolarHBondContact O-N 2.88Å; G93-Y97 WeakPolarHBondContact O-CB 3.48Å; G93-Y97 PolarHBondContact O-N 2.77Å
94I87.1Confident81.2Confident65 Ų6589.4 Ų89.433%0.33347%0.47SS..Hα-helixtrans-61.9-44.3175.4-62.2159.4000110.3Y90 A91 L96 Y97 L98Y90-I94 HydrophobicContact CD1-CD1 3.5Å; Y90-I94 HydrophobicContact CD1-CG1 4.27Å; Y90-I94 HydrophobicContact CE1-CD1 3.12Å; Y90-I94 HydrophobicContact CE1-CG1 3.93Å; Y90-I94 HydrophobicContact CE2-CD1 4.33Å; Y90-I94 HydrophobicContact CE2-CG1 4.25Å; Y90-I94 HydrophobicContact CG-CD1 4.25Å; Y90-I94 WeakPolarHBondContact O-CG1 3.46Å; Y90-I94 PolarHBondContact O-N 2.92Å; A91-I94 PolarHBondContact O-N 3.44Å; I94-L96 PolarHBondContact O-N 3.29Å; I94-Y97 PolarHBondContact O-N 3.26Å; I94-L98 HydrophobicContact CG2-CD1 3.94Å; I94-L98 HydrophobicContact CG2-CG 4.12Å; I94-L98 WeakPolarHBondContact O-CB 3.39Å; I94-L98 VanDerWaalsContact O-CG 3.29Å; I94-L98 WeakPolarHBondContact O-CG 3.34Å; I94-L98 PolarHBondContact O-N 2.83Å
95V83.2Confident81.4Confident52 Ų5289.7 Ų89.732%0.31546%0.464SS..Hα-helixtrans-61.9-43.6179.5171.90000111.3A91 V92 G93 L98 F99A91-V95 VanDerWaalsContact O-CG2 3.25Å; A91-V95 WeakPolarHBondContact O-CG2 3.28Å; A91-V95 PolarHBondContact O-N 3.45Å; V92-V95 PolarHBondContact O-N 3.38Å; G93-V95 VanDerWaalsContact C-N 3.34Å; G93-V95 PolarHBondContact O-N 2.91Å; V95-L98 PolarHBondContact O-N 3.44Å; V95-F99 WeakPolarHBondContact O-CB 3.46Å; V95-F99 PolarHBondContact O-N 2.65Å
96L84.1Confident80.8Confident110 Ų11089.8 Ų89.858%0.57646%0.46SS*.Hα-helixtrans-65.2-39.2174.9-71.8175.3000112.2V92 G93 I94 F99 Y100V92-L96 HydrophobicContact CG1-CD1 4.11Å; V92-L96 HydrophobicContact CG1-CG 4.4Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 2.8Å; G93-L96 PolarHBondContact O-N 2.88Å; I94-L96 PolarHBondContact O-N 3.29Å; L96-F99 PolarHBondContact O-N 3.37Å; L96-Y100 WeakPolarHBondContact O-CB 3.36Å; L96-Y100 PolarHBondContact O-N 2.75Å
97Y85.1Confident79.8Confident156 Ų15689.1 Ų89.161%0.61246%0.46SS*.Hα-helixtrans-66-42.1176.3-179.7-96.3000112G93 I94 Y100 T101G93-Y97 WeakPolarHBondContact O-CB 3.48Å; G93-Y97 PolarHBondContact O-N 2.77Å; I94-Y97 PolarHBondContact O-N 3.26Å; Y97-Y100 PolarHBondContact O-N 3.06Å; Y97-T101 WeakPolarHBondContact O-CB 3.21Å; Y97-T101 PolarHBondContact O-N 3.21Å; Y97-T101 PolarHBondContact O-OG1 3.31Å
98L81.2Confident79Confident92 Ų9287.2 Ų87.248%0.48246%0.458SS..Hα-helixtrans-64.5-44.2173.5-70177.8000110.4I94 V95 Y100 T101 L102I94-L98 HydrophobicContact CG2-CD1 3.94Å; I94-L98 HydrophobicContact CG2-CG 4.12Å; I94-L98 WeakPolarHBondContact O-CB 3.39Å; I94-L98 VanDerWaalsContact O-CG 3.29Å; I94-L98 WeakPolarHBondContact O-CG 3.34Å; I94-L98 PolarHBondContact O-N 2.83Å; V95-L98 PolarHBondContact O-N 3.44Å; L98-Y100 VanDerWaalsContact C-N 3.31Å; L98-Y100 PolarHBondContact O-N 3.32Å; L98-T101 PolarHBondContact O-N 3.15Å; L98-L102 VanDerWaalsContact O-CB 3.3Å; L98-L102 WeakPolarHBondContact O-CB 3.16Å; L98-L102 WeakPolarHBondContact O-CG 3.43Å; L98-L102 PolarHBondContact O-N 2.8Å
99F82.5Confident77.8Confident116 Ų11692.6 Ų92.651%0.50948%0.477SS..Hα-helixtrans-58.7-43174.3178-98.9000111.9I17 V95 L96 S103I17-F99 HydrophobicContact CD1-CE2 4.45Å; V95-F99 WeakPolarHBondContact O-CB 3.46Å; V95-F99 PolarHBondContact O-N 2.65Å; L96-F99 PolarHBondContact O-N 3.37Å; F99-S103 WeakPolarHBondContact CZ-OG 3.32Å; F99-S103 WeakPolarHBondContact O-CA 3.09Å; F99-S103 WeakPolarHBondContact O-CB 3.49Å; F99-S103 PolarHBondContact O-N 3.42Å; F99-S103 PolarHBondContact O-OG 3.39Å
100Y79.7Confident76.4Confident130 Ų13091.5 Ų91.551%0.5147%0.466SS..Hα-helixtrans-65.7-43.4175.5174.5-98.5000111.8L96 Y97 L98 S103 K104L96-Y100 WeakPolarHBondContact O-CB 3.36Å; L96-Y100 PolarHBondContact O-N 2.75Å; Y97-Y100 PolarHBondContact O-N 3.06Å; L98-Y100 VanDerWaalsContact C-N 3.31Å; L98-Y100 PolarHBondContact O-N 3.32Å; Y100-S103 PolarHBondContact O-N 2.8Å; Y100-K104 HydrophobicContact CE1-CD 3.85Å; Y100-K104 WeakPolarHBondContact O-CA 2.98Å; Y100-K104 WeakPolarHBondContact O-CB 3.29Å; Y100-K104 PolarHBondContact O-N 2.76Å; Y100-K104 PolarHBondContact OH-NZ 3.33Å; Y100-K104 VanDerWaalsContact OH-NZ 3.17Å
101T81.9Confident74.9Confident53 Ų5392.7 Ų92.733%0.32547%0.469SS..Hα-helixtrans-65.7-43.7-179.7-58.10000110.7Y97 L98 K104 I105Y97-T101 WeakPolarHBondContact O-CB 3.21Å; Y97-T101 PolarHBondContact O-N 3.21Å; Y97-T101 PolarHBondContact O-OG1 3.31Å; L98-T101 PolarHBondContact O-N 3.15Å; T101-K104 PolarHBondContact O-N 3.3Å; T101-I105 VanDerWaalsContact O-CB 3.3Å; T101-I105 WeakPolarHBondContact O-CB 3.19Å; T101-I105 WeakPolarHBondContact O-CG2 3.48Å; T101-I105 PolarHBondContact O-N 2.76Å
102L78.9Confident73.5Confident93 Ų9399.4 Ų99.449%0.48749%0.491SS..Hα-helixtrans-67.4-48174.6-63.7172.3000110.4L98 K104 I105 F106L98-L102 VanDerWaalsContact O-CB 3.3Å; L98-L102 WeakPolarHBondContact O-CB 3.16Å; L98-L102 WeakPolarHBondContact O-CG 3.43Å; L98-L102 PolarHBondContact O-N 2.8Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 3.48Å; L102-I105 PolarHBondContact O-N 2.89Å; L102-F106 HydrophobicContact CB-CD2 4.06Å; L102-F106 HydrophobicContact CB-CE2 4.44Å; L102-F106 HydrophobicContact CD2-CD2 4.14Å; L102-F106 HydrophobicContact CD2-CE2 3.65Å; L102-F106 WeakPolarHBondContact O-CA 3.3Å; L102-F106 WeakPolarHBondContact O-CB 3.42Å; L102-F106 WeakPolarHBondContact O-CD2 3.34Å; L102-F106 PolarHBondContact O-N 3.21Å
103S77.9Confident72.1Confident44 Ų44101.2 Ų101.231%0.30850%0.499SS..Hα-helixtrans-61.7-37.1177.3-63.60000111.7F99 Y100 S107F99-S103 WeakPolarHBondContact CZ-OG 3.32Å; F99-S103 WeakPolarHBondContact O-CA 3.09Å; F99-S103 WeakPolarHBondContact O-CB 3.49Å; F99-S103 PolarHBondContact O-N 3.42Å; F99-S103 PolarHBondContact O-OG 3.39Å; Y100-S103 PolarHBondContact O-N 2.8Å; S103-S107 WeakPolarHBondContact O-CA 2.84Å; S103-S107 WeakPolarHBondContact O-CB 3.3Å; S103-S107 PolarHBondContact O-N 3.45Å
104K77.6Confident70.9Confident130 Ų130102.9 Ų102.957%0.56550%0.502SS*.Hα-helixtrans-69-47176.7-175.3170.1-170161.70111.3Y100 T101 L102 S108Y100-K104 HydrophobicContact CE1-CD 3.85Å; Y100-K104 WeakPolarHBondContact O-CA 2.98Å; Y100-K104 WeakPolarHBondContact O-CB 3.29Å; Y100-K104 PolarHBondContact O-N 2.76Å; Y100-K104 PolarHBondContact OH-NZ 3.33Å; Y100-K104 VanDerWaalsContact OH-NZ 3.17Å; T101-K104 PolarHBondContact O-N 3.3Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 3.48Å; K104-S108 WeakPolarHBondContact O-CB 3.5Å; K104-S108 PolarHBondContact O-N 2.79Å
105I75.2Confident69.8Low88 Ų88104.7 Ų104.745%0.45151%0.513SS..Hα-helixtrans-73.5-37.6-177.5-150.179.6000111.9T101 L102 K109T101-I105 VanDerWaalsContact O-CB 3.3Å; T101-I105 WeakPolarHBondContact O-CB 3.19Å; T101-I105 WeakPolarHBondContact O-CG2 3.48Å; T101-I105 PolarHBondContact O-N 2.76Å; L102-I105 PolarHBondContact O-N 2.89Å; I105-K109 WeakPolarHBondContact O-CB 3.08Å; I105-K109 WeakPolarHBondContact O-CG 3.3Å; I105-K109 PolarHBondContact O-N 2.73Å
106F65.9Low68.9Low106 Ų106108.4 Ų108.447%0.46552%0.524SS..Hα-helixtrans-85.6-37.7-179.5-73.3-77.7000112.1L102 S108 K109 H110L102-F106 HydrophobicContact CB-CD2 4.06Å; L102-F106 HydrophobicContact CB-CE2 4.44Å; L102-F106 HydrophobicContact CD2-CD2 4.14Å; L102-F106 HydrophobicContact CD2-CE2 3.65Å; L102-F106 WeakPolarHBondContact O-CA 3.3Å; L102-F106 WeakPolarHBondContact O-CB 3.42Å; L102-F106 WeakPolarHBondContact O-CD2 3.34Å; L102-F106 PolarHBondContact O-N 3.21Å; F106-S108 VanDerWaalsContact C-N 3.27Å; F106-S108 PolarHBondContact O-N 2.73Å; F106-K109 CarbonylContact O-C 3.59Å; F106-K109 PolarHBondContact O-N 3.07Å; F106-K109 VanDerWaalsContact O-N 3.07Å; F106-H110 WeakPolarHBondContact O-CA 3.4Å; F106-H110 WeakPolarHBondContact O-CB 3.31Å; F106-H110 PolarHBondContact O-N 3.42Å
107S62.1Low68.2Low74 Ų74108.7 Ų108.752%0.51752%0.521SS..Hα-helixtrans-71.4-26.4172.6-155.90000111.6S103 K109S103-S107 WeakPolarHBondContact O-CA 2.84Å; S103-S107 WeakPolarHBondContact O-CB 3.3Å; S103-S107 PolarHBondContact O-N 3.45Å; S107-K109 VanDerWaalsContact C-N 3.33Å
108S56.6Low67.4Low99 Ų99106.3 Ų106.369%0.69252%0.515SS*.Hα-helixtrans-62.7-37.9165.31640000112.3K104 F106K104-S108 WeakPolarHBondContact O-CB 3.5Å; K104-S108 PolarHBondContact O-N 2.79Å; F106-S108 VanDerWaalsContact C-N 3.27Å; F106-S108 PolarHBondContact O-N 2.73Å
109K55.9Low66.8Low153 Ų153107.9 Ų107.967%0.66552%0.52SS*.Hα-helixtrans-94.4-19.1-175.6-79.8-179.3172.4178.70115.1I105 F106 S107I105-K109 WeakPolarHBondContact O-CB 3.08Å; I105-K109 WeakPolarHBondContact O-CG 3.3Å; I105-K109 PolarHBondContact O-N 2.73Å; F106-K109 CarbonylContact O-C 3.59Å; F106-K109 PolarHBondContact O-N 3.07Å; F106-K109 VanDerWaalsContact O-N 3.07Å; S107-K109 VanDerWaalsContact C-N 3.33Å
110H54.9Low66.3Low71 Ų71109 Ų10933%0.32953%0.525SS..Hα-helixtrans-114.41.8-161.4-152.4-101.3000116Q9 F106Q9-H110 PolarHBondContact NE2-CD2 2.73Å; Q9-H110 PolarHBondContact NE2-NE2 3.26Å; Q9-H110 PolarHBondContact OE1-CD2 2.71Å; Q9-H110 PolarHBondContact OE1-CE1 3.32Å; Q9-H110 PolarHBondContact OE1-NE2 2.92Å; F106-H110 WeakPolarHBondContact O-CA 3.4Å; F106-H110 WeakPolarHBondContact O-CB 3.31Å; F106-H110 PolarHBondContact O-N 3.42Å
111R51.7Low66.1Low189 Ų189107 Ų10771%0.71352%0.523SS*.SBendtrans-125102.4-179.9-79.2-177156.3-151.9-4.7111.9
112K52.8Low65.7Low182 Ų182113.6 Ų113.679%0.79154%0.542SS*.SBendtrans92.47.5151.3-52.6172.7178.4-178.80119
113N54.2Low65.4Low86 Ų86114.3 Ų114.346%0.4654%0.543SS..SBendtrans-126.2-8.1-179.1-120-39.6000115.7K117N113-K117 HydrophobicContact CB-CD 4.19Å; N113-K117 WeakPolarHBondContact O-CB 3.31Å; N113-K117 VanDerWaalsContact O-CD 3.28Å; N113-K117 WeakPolarHBondContact O-CD 3.47Å; N113-K117 WeakPolarHBondContact O-CG 3.22Å; N113-K117 PolarHBondContact O-N 3.16Å
114T61Low64.9Low71 Ų71118.3 Ų118.344%0.43655%0.552SS.*Hα-helixtrans-70.3-48.717953.20000110.8K116 K117 E118T114-K116 PolarHBondContact O-N 3.11Å; T114-K117 PolarHBondContact O-N 2.72Å; T114-E118 VanDerWaalsContact O-CB 3.31Å; T114-E118 WeakPolarHBondContact O-CB 3.4Å; T114-E118 WeakPolarHBondContact O-CG 3.5Å; T114-E118 PolarHBondContact O-N 3.35Å
115D62.7Low64.4Low104 Ų104119.6 Ų119.656%0.55656%0.555SS**Hα-helixtrans-67.6-42.3-177-54.9-23.7000112E118 E119D115-E118 PolarHBondContact O-N 3.36Å; D115-E119 WeakPolarHBondContact O-CB 3.43Å; D115-E119 WeakPolarHBondContact O-CG 3.09Å; D115-E119 PolarHBondContact O-N 3.15Å
116K65.7Low64Low129 Ų129125.1 Ų125.156%0.56157%0.57SS**Hα-helixtrans-66.1-44176.1-72.5-174.2179.1-175.20111.9T114 E118 E119 F120T114-K116 PolarHBondContact O-N 3.11Å; K116-E118 VanDerWaalsContact C-N 3.31Å; K116-E118 PolarHBondContact O-N 3.37Å; K116-E119 PolarHBondContact O-N 3.05Å; K116-F120 HydrophobicContact CB-CD2 4.33Å; K116-F120 HydrophobicContact CB-CE2 4.35Å; K116-F120 WeakPolarHBondContact O-CB 3.29Å; K116-F120 WeakPolarHBondContact O-CD2 2.94Å; K116-F120 PolarHBondContact O-N 3.22Å
117K68.6Low64.1Low116 Ų116122.1 Ų122.150%0.50456%0.558SS.*Hα-helixtrans-64.2-40.3177.6-73.6173.7179.4-173.60110.9N113 T114 F120 L121N113-K117 HydrophobicContact CB-CD 4.19Å; N113-K117 WeakPolarHBondContact O-CB 3.31Å; N113-K117 VanDerWaalsContact O-CD 3.28Å; N113-K117 WeakPolarHBondContact O-CD 3.47Å; N113-K117 WeakPolarHBondContact O-CG 3.22Å; N113-K117 PolarHBondContact O-N 3.16Å; T114-K117 PolarHBondContact O-N 2.72Å; K117-F120 PolarHBondContact O-N 3.03Å; K117-L121 HydrophobicContact CB-CD1 4.45Å; K117-L121 WeakPolarHBondContact O-CB 3.33Å; K117-L121 VanDerWaalsContact O-CD1 3.27Å; K117-L121 WeakPolarHBondContact O-CD1 3.47Å; K117-L121 VanDerWaalsContact O-CG 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.31Å; K117-L121 PolarHBondContact O-N 3.25Å
118E68.2Low64.3Low106 Ų106122.4 Ų122.450%0.49555%0.551SS.*Hα-helixtrans-63.9-39.4175.6-75.1177-152.400111.9T114 D115 K116 R122T114-E118 VanDerWaalsContact O-CB 3.31Å; T114-E118 WeakPolarHBondContact O-CB 3.4Å; T114-E118 WeakPolarHBondContact O-CG 3.5Å; T114-E118 PolarHBondContact O-N 3.35Å; D115-E118 PolarHBondContact O-N 3.36Å; K116-E118 VanDerWaalsContact C-N 3.31Å; K116-E118 PolarHBondContact O-N 3.37Å; E118-R122 VanDerWaalsContact O-CB 3.23Å; E118-R122 WeakPolarHBondContact O-CB 3.21Å; E118-R122 WeakPolarHBondContact O-CG 3.23Å; E118-R122 PolarHBondContact O-N 2.92Å
119E70Confident64.8Low126 Ų126121.3 Ų121.359%0.58953%0.534SS*.Hα-helixtrans-67.4-44173.3-75.1-178.5172.900112.6D115 K116 R122 Q123D115-E119 WeakPolarHBondContact O-CB 3.43Å; D115-E119 WeakPolarHBondContact O-CG 3.09Å; D115-E119 PolarHBondContact O-N 3.15Å; K116-E119 PolarHBondContact O-N 3.05Å; E119-R122 PolarHBondContact O-N 2.86Å; E119-Q123 WeakPolarHBondContact O-CB 3.28Å; E119-Q123 WeakPolarHBondContact O-CG 3.01Å; E119-Q123 PolarHBondContact O-N 3.47Å
120F71.4Confident65.4Low138 Ų138118.8 Ų118.861%0.60552%0.521SS*.Hα-helixtrans-63.5-42.2174.9-81.1-65.4000112K116 K117 Q123 Y124K116-F120 HydrophobicContact CB-CD2 4.33Å; K116-F120 HydrophobicContact CB-CE2 4.35Å; K116-F120 WeakPolarHBondContact O-CB 3.29Å; K116-F120 WeakPolarHBondContact O-CD2 2.94Å; K116-F120 PolarHBondContact O-N 3.22Å; K117-F120 PolarHBondContact O-N 3.03Å; F120-Q123 PolarHBondContact O-N 3.36Å; F120-Y124 WeakPolarHBondContact O-CB 3.48Å; F120-Y124 PolarHBondContact O-N 2.91Å
121L75.9Confident66.1Low90 Ų90117.6 Ų117.647%0.47152%0.517SS..Hα-helixtrans-65.8-42175.3-79.3154.3000110.5K117 Q123 Y124 Y125K117-L121 HydrophobicContact CB-CD1 4.45Å; K117-L121 WeakPolarHBondContact O-CB 3.33Å; K117-L121 VanDerWaalsContact O-CD1 3.27Å; K117-L121 WeakPolarHBondContact O-CD1 3.47Å; K117-L121 VanDerWaalsContact O-CG 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.31Å; K117-L121 PolarHBondContact O-N 3.25Å; L121-Q123 PolarHBondContact O-N 3.17Å; L121-Y124 PolarHBondContact O-N 3.47Å; L121-Y125 HydrophobicContact CD2-CD2 4.49Å; L121-Y125 HydrophobicContact CD2-CE2 3.83Å; L121-Y125 WeakPolarHBondContact O-CD2 3.44Å; L121-Y125 PolarHBondContact O-N 3.42Å
122R73.5Confident67Low191 Ų191114 Ų11472%0.72152%0.516SS*.Hα-helixtrans-62.6-41.6175.5-82.1177.1178.4-1620.9112.1E118 E119 R126E118-R122 VanDerWaalsContact O-CB 3.23Å; E118-R122 WeakPolarHBondContact O-CB 3.21Å; E118-R122 WeakPolarHBondContact O-CG 3.23Å; E118-R122 PolarHBondContact O-N 2.92Å; E119-R122 PolarHBondContact O-N 2.86Å; R122-R126 VanDerWaalsContact O-CB 3.22Å; R122-R126 WeakPolarHBondContact O-CB 3.02Å; R122-R126 PolarHBondContact O-N 3.41Å
123Q71.4Confident67.8Low108 Ų108112.7 Ų112.751%0.50552%0.518SS..Hα-helixtrans-65.1-48.9174.3-76173.5-17.600110.8E119 F120 L121 Y125 R126 D127E119-Q123 WeakPolarHBondContact O-CB 3.28Å; E119-Q123 WeakPolarHBondContact O-CG 3.01Å; E119-Q123 PolarHBondContact O-N 3.47Å; F120-Q123 PolarHBondContact O-N 3.36Å; L121-Q123 PolarHBondContact O-N 3.17Å; Q123-Y125 VanDerWaalsContact C-N 3.32Å; Q123-Y125 PolarHBondContact O-N 3.01Å; Q123-R126 PolarHBondContact O-N 2.92Å; Q123-R126 VanDerWaalsContact O-N 3.12Å; Q123-D127 PolarHBondContact O-N 3.04Å
124Y67.6Low68.3Low127 Ų127113.7 Ų113.750%0.49852%0.515SS..Hα-helixtrans-53.3-45.3176.5-173.1-99.9000112.5F120 L121 F128 M139F120-Y124 WeakPolarHBondContact O-CB 3.48Å; F120-Y124 PolarHBondContact O-N 2.91Å; L121-Y124 PolarHBondContact O-N 3.47Å; Y124-F128 AromaticContact CD1-CE2 3.6Å; Y124-F128 HydrophobicContact CD1-CE2 3.6Å; Y124-F128 HydrophobicContact CD1-CZ 4.36Å; Y124-F128 AromaticContact CE1-CE2 3.33Å; Y124-F128 HydrophobicContact CE1-CE2 3.33Å; Y124-F128 AromaticContact CE1-CZ 3.67Å; Y124-F128 HydrophobicContact CE1-CZ 3.67Å; Y124-F128 HydrophobicContact CE2-CE2 4.34Å; Y124-F128 HydrophobicContact CE2-CZ 4.31Å; Y124-F128 HydrophobicContact CG-CE2 4.21Å; Y124-F128 AromaticContact CZ-CE2 3.71Å; Y124-F128 AromaticContact CZ-CZ 3.6Å; Y124-F128 WeakPolarHBondContact O-CD2 3.42Å; Y124-F128 VanDerWaalsContact O-CE2 3.29Å; Y124-F128 WeakPolarHBondContact O-CE2 3.41Å; Y124-M139 HydrophobicContact CD1-CE 4.3Å; Y124-M139 HydrophobicContact CD2-CE 3.26Å; Y124-M139 HydrophobicContact CE1-CE 4.17Å; Y124-M139 HydrophobicContact CE2-CE 3.07Å; Y124-M139 HydrophobicContact CG-CE 3.87Å
125Y67.2Low68.9Low158 Ų158112.7 Ų112.762%0.6252%0.519SS*.Hα-helixtrans-79.3-24.8179.5-75.1-66.3000114.7L121 Q123 D127 F128L121-Y125 HydrophobicContact CD2-CD2 4.49Å; L121-Y125 HydrophobicContact CD2-CE2 3.83Å; L121-Y125 WeakPolarHBondContact O-CD2 3.44Å; L121-Y125 PolarHBondContact O-N 3.42Å; Q123-Y125 VanDerWaalsContact C-N 3.32Å; Q123-Y125 PolarHBondContact O-N 3.01Å; Y125-D127 VanDerWaalsContact C-N 3.34Å; Y125-F128 HydrophobicContact CD1-CD2 4.46Å
126R67.7Low69.4Low204 Ų204111.9 Ų111.977%0.7751%0.51SS*.Hα-helixtrans-74.4-29.5179-164.6-177.976.4163.25.2112R122 Q123R122-R126 VanDerWaalsContact O-CB 3.22Å; R122-R126 WeakPolarHBondContact O-CB 3.02Å; R122-R126 PolarHBondContact O-N 3.41Å; Q123-R126 PolarHBondContact O-N 2.92Å; Q123-R126 VanDerWaalsContact O-N 3.12Å
127D68Low69.4Low42 Ų42112.7 Ų112.723%0.22551%0.514CS..SBendtrans-93.5-1.9-171.3-59.2-22.2000113.4Q123 Y125 H129 M139 G140Q123-D127 PolarHBondContact O-N 3.04Å; Y125-D127 VanDerWaalsContact C-N 3.34Å; D127-H129 PolarHBondContact O-N 3.48Å; D127-H129 PolarHBondContact O-ND1 3.19Å; D127-M139 HydrophobicContact CB-SD 4.33Å; D127-G140 PolarHBondContact O-N 2.79Å
128F65.2Low69.2Low81 Ų81109.5 Ų109.536%0.35550%0.499SS..EExtended strand (participates in β ladder)trans-74.6101.2167.5-79.2-76.3000111.4Y124 Y125 M139Y124-F128 AromaticContact CD1-CE2 3.6Å; Y124-F128 HydrophobicContact CD1-CE2 3.6Å; Y124-F128 HydrophobicContact CD1-CZ 4.36Å; Y124-F128 AromaticContact CE1-CE2 3.33Å; Y124-F128 HydrophobicContact CE1-CE2 3.33Å; Y124-F128 AromaticContact CE1-CZ 3.67Å; Y124-F128 HydrophobicContact CE1-CZ 3.67Å; Y124-F128 HydrophobicContact CE2-CE2 4.34Å; Y124-F128 HydrophobicContact CE2-CZ 4.31Å; Y124-F128 HydrophobicContact CG-CE2 4.21Å; Y124-F128 AromaticContact CZ-CE2 3.71Å; Y124-F128 AromaticContact CZ-CZ 3.6Å; Y124-F128 WeakPolarHBondContact O-CD2 3.42Å; Y124-F128 VanDerWaalsContact O-CE2 3.29Å; Y124-F128 WeakPolarHBondContact O-CE2 3.41Å; Y125-F128 HydrophobicContact CD1-CD2 4.46Å; F128-M139 HydrophobicContact CD1-CE 4.26Å; F128-M139 HydrophobicContact CD1-SD 3.93Å; F128-M139 HydrophobicContact CD2-CE 3.89Å; F128-M139 HydrophobicContact CD2-SD 3.79Å; F128-M139 HydrophobicContact CE1-CE 3.67Å; F128-M139 HydrophobicContact CE1-SD 3.92Å; F128-M139 HydrophobicContact CE2-CE 3.24Å; F128-M139 HydrophobicContact CE2-SD 3.8Å; F128-M139 HydrophobicContact CG-CE 4.36Å; F128-M139 HydrophobicContact CG-SD 3.88Å; F128-M139 HydrophobicContact CZ-CE 3.11Å; F128-M139 HydrophobicContact CZ-SD 3.87Å
129H67.7Low69.1Low76 Ų76108.1 Ų108.135%0.35249%0.493SS..EExtended strand (participates in β ladder)trans-115136.1167.254.5-71.3000109.4D127 D131 R138D127-H129 PolarHBondContact O-N 3.48Å; D127-H129 PolarHBondContact O-ND1 3.19Å; H129-D131 IonicContact CD2-OD1 3.98Å; H129-R138 PolarHBondContact N-O 3.37Å; H129-R138 VanDerWaalsContact N-O 3.14Å; H129-R138 PolarHBondContact ND1-O 3.47Å; H129-R138 WeakPolarHBondContact NE2-CB 3.36Å; H129-R138 PolarHBondContact O-N 3.49Å
130Y67.2Low68.4Low99 Ų99103.3 Ų103.339%0.38848%0.478SS..EExtended strand (participates in β ladder)trans-88.1111.8170.3-178.1-99.2000107.1V132 F137Y130-V132 HydrophobicContact CD1-CG2 3.95Å; Y130-V132 HydrophobicContact CE1-CG2 4.1Å; Y130-V132 PolarHBondContact O-N 2.76Å; Y130-F137 AromaticContact CD2-CD1 3.72Å; Y130-F137 HydrophobicContact CD2-CD1 3.72Å; Y130-F137 HydrophobicContact CD2-CD2 4.11Å; Y130-F137 AromaticContact CD2-CE1 3.48Å; Y130-F137 HydrophobicContact CD2-CE1 3.48Å; Y130-F137 VanDerWaalsContact CD2-CE1 3.48Å; Y130-F137 AromaticContact CD2-CE2 3.89Å; Y130-F137 HydrophobicContact CD2-CE2 3.89Å; Y130-F137 HydrophobicContact CD2-CG 4.02Å; Y130-F137 AromaticContact CD2-CZ 3.57Å; Y130-F137 HydrophobicContact CD2-CZ 3.57Å; Y130-F137 HydrophobicContact CE2-CD2 4.4Å; Y130-F137 HydrophobicContact CE2-CE1 4.36Å; Y130-F137 HydrophobicContact CE2-CE2 4.02Å; Y130-F137 AromaticContact CE2-CZ 4Å; Y130-F137 HydrophobicContact CE2-CZ 4Å; Y130-F137 HydrophobicContact CG-CD1 4.42Å; Y130-F137 HydrophobicContact CG-CE1 4.16Å
131D69.4Low67.6Low46 Ų46104.9 Ų104.925%0.24649%0.487CS..EExtended strand (participates in β ladder)trans-80.8108.4170.9-86.3-15.9000108.6H129 D133 R134 G135 K136 R138H129-D131 IonicContact CD2-OD1 3.98Å; D131-D133 PolarHBondContact O-N 2.85Å; D131-R134 HydrophobicContact CB-CB 4.31Å; D131-R134 PolarHBondContact O-N 3.09Å; D131-G135 PolarHBondContact O-N 3.14Å; D131-K136 PolarHBondContact N-O 3.3Å; D131-R138 VanDerWaalsContact OD2-CD 3.27Å; D131-R138 WeakPolarHBondContact OD2-CD 3.11Å
132V70.7Confident66.5Low113 Ų113108.3 Ų108.369%0.68551%0.505SS*.THydrogen-bonded Turntrans-60.4-35.9177.6179.40000110.6Y130 R134Y130-V132 HydrophobicContact CD1-CG2 3.95Å; Y130-V132 HydrophobicContact CE1-CG2 4.1Å; Y130-V132 PolarHBondContact O-N 2.76Å; V132-R134 PolarHBondContact O-N 3.32Å
133D71.4Confident65.4Low155 Ų155102 Ų10283%0.82949%0.49SS*.THydrogen-bonded Turntrans-74-28.2-175.7-55.7-40.7000113D131D131-D133 PolarHBondContact O-N 2.85Å
134R64.4Low64.4Low107 Ų107101.8 Ų101.840%0.40450%0.501SS..THydrogen-bonded Turntrans-104.7-0.9179.1-63.4-162.2-176.9-145.613113.4D131 V132 K136 D147D131-R134 HydrophobicContact CB-CB 4.31Å; D131-R134 PolarHBondContact O-N 3.09Å; V132-R134 PolarHBondContact O-N 3.32Å; R134-K136 HydrophobicContact CB-CD 4.16Å; R134-K136 HydrophobicContact CB-CG 3.82Å; R134-K136 VanDerWaalsContact CD-CE 3.45Å; R134-K136 PolarHBondContact O-N 2.87Å; R134-D147 IonicContact CZ-OD2 3.55Å; R134-D147 IonicContact NH1-OD2 3.83Å; R134-D147 PolarHBondContact NH1-OD2 3.4Å; R134-D147 IonicContact NH2-OD2 2.72Å; R134-D147 PolarHBondContact NH2-OD2 2.84Å
135G72.7Confident63.5Low50 Ų50101.3 Ų101.352%0.51551%0.507SS..THydrogen-bonded Turntrans56.917.2-179.700000114.7D131D131-G135 PolarHBondContact O-N 3.14Å
136K73.1Confident62.7Low88 Ų88100.4 Ų100.438%0.38351%0.513SS..EExtended strand (participates in β ladder)trans-129.5141.6-172.567.3-174.7179.8-178.50110.9D131 R134 R138D131-K136 PolarHBondContact N-O 3.3Å; R134-K136 HydrophobicContact CB-CD 4.16Å; R134-K136 HydrophobicContact CB-CG 3.82Å; R134-K136 VanDerWaalsContact CD-CE 3.45Å; R134-K136 PolarHBondContact O-N 2.87Å; K136-R138 VanDerWaalsContact CE-NE 3.33Å; K136-R138 HydrophobicContact CG-CG 4.24Å; K136-R138 PolarHBondContact O-N 2.78Å
137F65.4Low62.1Low146 Ų14695.8 Ų95.864%0.6450%0.504SS*.EExtended strand (participates in β ladder)trans-71.1119.8170.3-66-85.8000108.5Y130Y130-F137 AromaticContact CD2-CD1 3.72Å; Y130-F137 HydrophobicContact CD2-CD1 3.72Å; Y130-F137 HydrophobicContact CD2-CD2 4.11Å; Y130-F137 AromaticContact CD2-CE1 3.48Å; Y130-F137 HydrophobicContact CD2-CE1 3.48Å; Y130-F137 VanDerWaalsContact CD2-CE1 3.48Å; Y130-F137 AromaticContact CD2-CE2 3.89Å; Y130-F137 HydrophobicContact CD2-CE2 3.89Å; Y130-F137 HydrophobicContact CD2-CG 4.02Å; Y130-F137 AromaticContact CD2-CZ 3.57Å; Y130-F137 HydrophobicContact CD2-CZ 3.57Å; Y130-F137 HydrophobicContact CE2-CD2 4.4Å; Y130-F137 HydrophobicContact CE2-CE1 4.36Å; Y130-F137 HydrophobicContact CE2-CE2 4.02Å; Y130-F137 AromaticContact CE2-CZ 4Å; Y130-F137 HydrophobicContact CE2-CZ 4Å; Y130-F137 HydrophobicContact CG-CD1 4.42Å; Y130-F137 HydrophobicContact CG-CE1 4.16Å
138R65.7Low61.3Low49 Ų49100.1 Ų100.119%0.18553%0.527CS..EExtended strand (participates in β ladder)trans-103.3135.2173.9-75.7-162.8144.1173.2-2.6109.4H129 D131 K136H129-R138 PolarHBondContact N-O 3.37Å; H129-R138 VanDerWaalsContact N-O 3.14Å; H129-R138 PolarHBondContact ND1-O 3.47Å; H129-R138 WeakPolarHBondContact NE2-CB 3.36Å; H129-R138 PolarHBondContact O-N 3.49Å; D131-R138 VanDerWaalsContact OD2-CD 3.27Å; D131-R138 WeakPolarHBondContact OD2-CD 3.11Å; K136-R138 VanDerWaalsContact CE-NE 3.33Å; K136-R138 HydrophobicContact CG-CG 4.24Å; K136-R138 PolarHBondContact O-N 2.78Å
139M64.6Low60.6Low76 Ų76104 Ų10437%0.37455%0.551SS.*EExtended strand (participates in β ladder)trans-103.5108.9171.9-169.374.111100106.9Y124 D127 F128 H141Y124-M139 HydrophobicContact CD1-CE 4.3Å; Y124-M139 HydrophobicContact CD2-CE 3.26Å; Y124-M139 HydrophobicContact CE1-CE 4.17Å; Y124-M139 HydrophobicContact CE2-CE 3.07Å; Y124-M139 HydrophobicContact CG-CE 3.87Å; D127-M139 HydrophobicContact CB-SD 4.33Å; F128-M139 HydrophobicContact CD1-CE 4.26Å; F128-M139 HydrophobicContact CD1-SD 3.93Å; F128-M139 HydrophobicContact CD2-CE 3.89Å; F128-M139 HydrophobicContact CD2-SD 3.79Å; F128-M139 HydrophobicContact CE1-CE 3.67Å; F128-M139 HydrophobicContact CE1-SD 3.92Å; F128-M139 HydrophobicContact CE2-CE 3.24Å; F128-M139 HydrophobicContact CE2-SD 3.8Å; F128-M139 HydrophobicContact CG-CE 4.36Å; F128-M139 HydrophobicContact CG-SD 3.88Å; F128-M139 HydrophobicContact CZ-CE 3.11Å; F128-M139 HydrophobicContact CZ-SD 3.87Å; M139-H141 PolarHBondContact O-N 2.72Å
140G56Low59.6Low25 Ų25105.2 Ų105.226%0.25856%0.564SS.*THydrogen-bonded Turntrans-78.8106.4-174.600000113.1D127D127-G140 PolarHBondContact O-N 2.79Å
141H55Low58.3Low172 Ų172103.8 Ų103.880%0.79657%0.573SS**THydrogen-bonded Turntrans-162.8-10.5136-148.5-88.5000114.2M139M139-H141 PolarHBondContact O-N 2.72Å
142D52.7Low56.9Low162 Ų162109.5 Ų109.587%0.86660%0.598SS**SBendtrans-123.828.5179.9-70.8-23.5000114.3S144D142-S144 PolarHBondContact O-N 2.67Å
143S49.5Very low55.6Low57 Ų57110 Ų11040%0.39960%0.601SS.*  trans-9868.8175.1178.10000111.1D145S143-D145 PolarHBondContact O-N 3.08Å
144S51.1Low53.8Low104 Ų104109.7 Ų109.773%0.72760%0.6SS**  trans-71.493.1151.8-166.50000105.3D142D142-S144 PolarHBondContact O-N 2.67Å
145D47.9Very low52.6Low117 Ų117110.5 Ų110.563%0.62662%0.617SS**  40.280.283.5-97.610.1000111.6S143S143-D145 PolarHBondContact O-N 3.08Å
146D51.7Low50.7Low140 Ų140118.1 Ų118.175%0.74964%0.636SS**  trans-154.158.6155.2-82.8-35.8000106.9
147D54.3Low49.1Very low107 Ų107117.8 Ų117.857%0.57266%0.657SS**  trans-101.769.1160.4-69.5-38.8000105.9R134 D149R134-D147 IonicContact CZ-OD2 3.55Å; R134-D147 IonicContact NH1-OD2 3.83Å; R134-D147 PolarHBondContact NH1-OD2 3.4Å; R134-D147 IonicContact NH2-OD2 2.72Å; R134-D147 PolarHBondContact NH2-OD2 2.84Å; D147-D149 VanDerWaalsContact C-N 3.31Å; D147-D149 PolarHBondContact O-N 3.24Å; D147-D149 VanDerWaalsContact O-N 3.11Å
148D51.3Low47.6Very low133 Ų133118 Ų11871%0.71167%0.665SS**  trans-81.179.6176.9-139-14.8000108.6T150D148-T150 PolarHBondContact O-N 3.42Å; D148-T150 PolarHBondContact OD1-OG1 3.41Å; D148-T150 VanDerWaalsContact OD1-OG1 3.07Å
149D50.1Low46.4Very low161 Ų161120.3 Ų120.386%0.86169%0.689SS**  trans-73.867.4166.5-75.2-42.5000109.4D147D147-D149 VanDerWaalsContact C-N 3.31Å; D147-D149 PolarHBondContact O-N 3.24Å; D147-D149 VanDerWaalsContact O-N 3.11Å
150T47.9Very low45.2Very low102 Ų102121.8 Ų121.863%0.62671%0.707SS**  trans-136.788.9167.9-23.50000106.5D148D148-T150 PolarHBondContact O-N 3.42Å; D148-T150 PolarHBondContact OD1-OG1 3.41Å; D148-T150 VanDerWaalsContact OD1-OG1 3.07Å
151A39.6Very low44.4Very low70 Ų70128 Ų12858%0.57973%0.734SS**  53.7130.1107.900000113.7
152E41Very low44Very low166 Ų166128.3 Ų128.378%0.77674%0.741SS**  trans81.4111.5162-24.2-64.4145.600118.7
153T41.6Very low43.3Very low123 Ų123127.1 Ų127.176%0.75573%0.734SS**  trans82.5106.814065.90000122
154D33.4Very low42.9Very low149 Ų149133.6 Ų133.680%0.79776%0.755SS**  trans29.5118.8131.7-49.1-30.3000120.3
155T40.1Very low42.8Very low124 Ų124136.2 Ų136.276%0.76176%0.761SS**  145.7112.8123.6-61.50000113.3
156F33.1Very low42.5Very low210 Ų210140.6 Ų140.692%0.92177%0.768SS**  trans19.9124.2148.1-71.5-95.8000120.2
157G39.6Very low42.2Very low80 Ų80139.6 Ų139.683%0.82577%0.77SS**  trans-179.38416400000114.8
158N32.5Very low41.6Very low150 Ų150146 Ų14680%0.80279%0.786SS**  trans-50.6139.5172.1-177.841000113.8
159S41.9Very low40.9Very low98 Ų98149.5 Ų149.569%0.68580%0.795SS**  trans179.896.8131.7-77.10000112.5
160S38.2Very low40.4Very low107 Ų107146.8 Ų146.875%0.74879%0.788SS**  trans16.8110.2145.157.80000119.9
161N39.1Very low39.9Very low156 Ų156148 Ų14883%0.83480%0.801SS**  trans-115.5137.1153-94.6-45.5000110.4D163N161-D163 PolarHBondContact O-N 3.02Å
162L47.3Very low40.1Very low178 Ų178147.6 Ų147.693%0.93280%0.803SS**  trans-72.697.8-177.6-76.5156.6000110.4F164L162-F164 PolarHBondContact O-N 3.39Å
163D38.6Very low39.9Very low137 Ų137147.9 Ų147.973%0.73381%0.81SS**  trans-81.183170.3-83.6-32.1000110.9N161N161-D163 PolarHBondContact O-N 3.02Å
164F40.4Very low40.1Very low193 Ų193146.3 Ų146.385%0.84680%0.804SS**  trans-93.8127.8157.7-148.4-99.1000105.8L162L162-F164 PolarHBondContact O-N 3.39Å
165L49.1Very low40.8Very low160 Ų160145 Ų14584%0.83881%0.807SS**  trans97.525.4-177.3-46.2178.3000117.8P167L165-P167 WeakPolarHBondContact O-CD 3.21Å
166R41Very low41.3Very low209 Ų209148 Ų14879%0.78980%0.804SS**  trans-77.8122.4159.4-156170.2-150.2-160.27109.7R168R166-R168 PolarHBondContact O-N 3.37Å; R166-R168 VanDerWaalsContact O-N 3.09Å
167P46.2Very low42.5Very low119 Ų119147 Ų14777%0.77380%0.8SS**  trans-59.7119174.2-18.430.4000108.7L165 K169L165-P167 WeakPolarHBondContact O-CD 3.21Å; P167-K169 PolarHBondContact O-N 3.33Å
168R41.3Very low43.3Very low241 Ų241148.9 Ų148.991%0.90980%0.797SS**  trans-61.9104.8-178.7-168.5171.8169.8177.3-4.5108.4R166 S170R166-R168 PolarHBondContact O-N 3.37Å; R166-R168 VanDerWaalsContact O-N 3.09Å; R168-S170 VanDerWaalsContact C-N 3.34Å; R168-S170 PolarHBondContact O-N 2.97Å
169K36.7Very low44.4Very low207 Ų207146.6 Ų146.690%0.978%0.78SS**  trans-61.391.3172.5-164.5165.5177.3177.30108P167 S171P167-K169 PolarHBondContact O-N 3.33Å; K169-S171 PolarHBondContact O-N 3.36Å
170S39.7Very low45.4Very low104 Ų104147.8 Ų147.873%0.72778%0.775SS**  trans-77.2107.5171.359.30000108.2R168 G172R168-S170 VanDerWaalsContact C-N 3.34Å; R168-S170 PolarHBondContact O-N 2.97Å; S170-G172 VanDerWaalsContact C-N 3.32Å; S170-G172 PolarHBondContact O-N 3.46Å
171S38Very low46.1Very low128 Ų128150.2 Ų150.290%0.89577%0.768SS**  trans-56.996.5158.249.50000108.5K169K169-S171 PolarHBondContact O-N 3.36Å
172G43.1Very low47Very low60 Ų60145 Ų14562%0.61975%0.751SS**  trans-146.9110.1177.900000107.5S170 S174S170-G172 VanDerWaalsContact C-N 3.32Å; S170-G172 PolarHBondContact O-N 3.46Å; G172-S174 PolarHBondContact O-N 2.89Å
173D37.9Very low47.6Very low173 Ų173139.5 Ų139.593%0.92573%0.728SS**  trans-57.8109-175.7-162.61.7000111.7
174S43.9Very low48.5Very low90 Ų90136.4 Ų136.463%0.62971%0.713SS**  trans-166.1127.7152.864.90000110G172 R176G172-S174 PolarHBondContact O-N 2.89Å; S174-R176 PolarHBondContact O-N 3.49Å
175S49.6Very low49.3Very low122 Ų122130.1 Ų130.185%0.85369%0.686SS**  trans-74.229.5-170.4710000115.5K177S175-K177 PolarHBondContact O-N 3.12Å
176R49.9Very low49.5Very low185 Ų185130.8 Ų130.870%0.69868%0.682SS**  trans-81.191.9-179.5-69.3-173.1175.9-157.5-0.1109.9S174S174-R176 PolarHBondContact O-N 3.49Å
177K59.2Low50.1Low191 Ų191124.3 Ų124.383%0.8368%0.681SS**  trans-49.8132170.1-67177.3-176.6168.70108.7S175 F179S175-K177 PolarHBondContact O-N 3.12Å; K177-F179 PolarHBondContact O-N 3Å
178P56.1Low50.3Low118 Ų118122.2 Ų122.277%0.76667%0.668SS**  trans-52.5131.5173-20.930000108.8E180P178-E180 PolarHBondContact O-N 3.27Å
179F55Low50.9Low103 Ų103113.5 Ų113.545%0.45264%0.636SS.*  trans-55.8107.4175174.8-97.1000109K177 W181 V184 L248K177-F179 PolarHBondContact O-N 3Å; F179-W181 AromaticContact CD1-CD1 3.6Å; F179-W181 HydrophobicContact CD1-CG 4.14Å; F179-W181 AromaticContact CD1-NE1 3.67Å; F179-W181 HydrophobicContact CE1-CB 4.44Å; F179-W181 AromaticContact CE1-CD1 3.52Å; F179-W181 AromaticContact CE1-CD2 3.7Å; F179-W181 HydrophobicContact CE1-CD2 3.7Å; F179-W181 AromaticContact CE1-CE2 3.51Å; F179-W181 HydrophobicContact CE1-CE3 4.49Å; F179-W181 AromaticContact CE1-CG 3.67Å; F179-W181 HydrophobicContact CE1-CG 3.67Å; F179-W181 HydrophobicContact CE1-CZ2 4.09Å; F179-W181 AromaticContact CE1-NE1 3.44Å; F179-W181 PolarHBondContact O-N 3.42Å; F179-V184 HydrophobicContact CE2-CG2 3.83Å; F179-V184 HydrophobicContact CZ-CG2 3.73Å; F179-L248 HydrophobicContact CE2-CD1 4.12Å; F179-L248 HydrophobicContact CZ-CD1 4.37Å
180E62.5Low51.9Low123 Ų123108.9 Ų108.958%0.57563%0.627SS**  trans-8996-178-163.6-178.6-154.300107.2P178 G182 S183P178-E180 PolarHBondContact O-N 3.27Å; E180-G182 PolarHBondContact O-N 2.83Å; E180-G182 VanDerWaalsContact O-N 3.07Å; E180-S183 WeakPolarHBondContact O-CB 3.27Å; E180-S183 PolarHBondContact O-N 3.12Å; E180-S183 PolarHBondContact O-OG 3.2Å
181W52.6Low52.7Low157 Ų157109.3 Ų109.360%0.59562%0.621SS**Hα-helixtrans-46.1-39.8173-86.188.3000110.6F179 S183 V184 F185 M241F179-W181 AromaticContact CD1-CD1 3.6Å; F179-W181 HydrophobicContact CD1-CG 4.14Å; F179-W181 AromaticContact CD1-NE1 3.67Å; F179-W181 HydrophobicContact CE1-CB 4.44Å; F179-W181 AromaticContact CE1-CD1 3.52Å; F179-W181 AromaticContact CE1-CD2 3.7Å; F179-W181 HydrophobicContact CE1-CD2 3.7Å; F179-W181 AromaticContact CE1-CE2 3.51Å; F179-W181 HydrophobicContact CE1-CE3 4.49Å; F179-W181 AromaticContact CE1-CG 3.67Å; F179-W181 HydrophobicContact CE1-CG 3.67Å; F179-W181 HydrophobicContact CE1-CZ2 4.09Å; F179-W181 AromaticContact CE1-NE1 3.44Å; F179-W181 PolarHBondContact O-N 3.42Å; W181-S183 PolarHBondContact O-N 3.29Å; W181-S183 VanDerWaalsContact O-N 3.1Å; W181-V184 PolarHBondContact O-N 3.34Å; W181-F185 HydrophobicContact CE3-CD2 4.27Å; W181-F185 AromaticContact CE3-CE2 3.4Å; W181-F185 HydrophobicContact CE3-CE2 3.4Å; W181-F185 VanDerWaalsContact CE3-CE2 3.4Å; W181-F185 HydrophobicContact CE3-CZ 4.16Å; W181-F185 AromaticContact CZ3-CE2 3.65Å; W181-F185 HydrophobicContact CZ3-CE2 3.65Å; W181-F185 AromaticContact CZ3-CZ 3.94Å; W181-F185 HydrophobicContact CZ3-CZ 3.94Å; W181-F185 VanDerWaalsContact O-CD2 3.22Å; W181-F185 WeakPolarHBondContact O-CD2 3.22Å; W181-M241 HydrophobicContact CH2-CE 4.45Å
182G59.6Low53.4Low48 Ų48104.4 Ų104.450%0.49559%0.585SS.*Hα-helixtrans-59.5-21177.400000115.8E180 K186E180-G182 PolarHBondContact O-N 2.83Å; E180-G182 VanDerWaalsContact O-N 3.07Å; G182-K186 VanDerWaalsContact O-CB 3.29Å; G182-K186 WeakPolarHBondContact O-CB 3.26Å; G182-K186 PolarHBondContact O-N 3Å
183S59.6Low53.9Low62 Ų62109.4 Ų109.443%0.43459%0.586SS.*Hα-helixtrans-84.5-29.9178.470.60000113.4E180 W181 F185 K186E180-S183 WeakPolarHBondContact O-CB 3.27Å; E180-S183 PolarHBondContact O-N 3.12Å; E180-S183 PolarHBondContact O-OG 3.2Å; W181-S183 PolarHBondContact O-N 3.29Å; W181-S183 VanDerWaalsContact O-N 3.1Å; S183-F185 VanDerWaalsContact C-N 3.33Å; S183-K186 WeakPolarHBondContact O-CB 3.2Å
184V56Low54.7Low71 Ų71110.8 Ų110.843%0.4358%0.578SS.*Hα-helixtrans-70.9-31.2176.2177.70000111.2F179 W181F179-V184 HydrophobicContact CE2-CG2 3.83Å; F179-V184 HydrophobicContact CZ-CG2 3.73Å; W181-V184 PolarHBondContact O-N 3.34Å
185F57.8Low55.1Low62 Ų62109.5 Ų109.527%0.27257%0.569SS.*THydrogen-bonded Turntrans-102.26.5-179.8-60-82.8000113.8W181 S183 G187 M241W181-F185 HydrophobicContact CE3-CD2 4.27Å; W181-F185 AromaticContact CE3-CE2 3.4Å; W181-F185 HydrophobicContact CE3-CE2 3.4Å; W181-F185 VanDerWaalsContact CE3-CE2 3.4Å; W181-F185 HydrophobicContact CE3-CZ 4.16Å; W181-F185 AromaticContact CZ3-CE2 3.65Å; W181-F185 HydrophobicContact CZ3-CE2 3.65Å; W181-F185 AromaticContact CZ3-CZ 3.94Å; W181-F185 HydrophobicContact CZ3-CZ 3.94Å; W181-F185 VanDerWaalsContact O-CD2 3.22Å; W181-F185 WeakPolarHBondContact O-CD2 3.22Å; S183-F185 VanDerWaalsContact C-N 3.33Å; F185-G187 PolarHBondContact O-N 3.22Å; F185-M241 HydrophobicContact CZ-CG 4.44Å
186K53.7Low55.3Low173 Ų173106.4 Ų106.475%0.75255%0.551SS**THydrogen-bonded Turntrans-68.29.9-170.6-148170.1175.81720115.4G182 S183G182-K186 VanDerWaalsContact O-CB 3.29Å; G182-K186 WeakPolarHBondContact O-CB 3.26Å; G182-K186 PolarHBondContact O-N 3Å; S183-K186 WeakPolarHBondContact O-CB 3.2Å
187G54.3Low55.5Low74 Ų74103.7 Ų103.776%0.76354%0.544SS*.THydrogen-bonded Turntrans-127.2-4.7-172.500000117.2F185F185-G187 PolarHBondContact O-N 3.22Å
188S50.6Low55.4Low74 Ų7497.9 Ų97.952%0.51753%0.528SS..THydrogen-bonded Turntrans-156.7-2.7-169.3-161.40000120.8
189Y53.9Low55.4Low59 Ų5994 Ų9423%0.23150%0.501CS..  trans-143.634.8-168.4-56.3-62.3000119.1D191 I192Y189-D191 PolarHBondContact O-N 2.88Å; Y189-I192 HydrophobicContact CD1-CD1 2.89Å; Y189-I192 HydrophobicContact CD1-CG1 3.58Å; Y189-I192 HydrophobicContact CE1-CD1 3.44Å; Y189-I192 VanDerWaalsContact CE1-CD1 3.44Å; Y189-I192 HydrophobicContact CE1-CG1 4.46Å; Y189-I192 HydrophobicContact CG-CD1 3.55Å; Y189-I192 HydrophobicContact CG-CG1 4.14Å; Y189-I192 PolarHBondContact O-N 3.17Å
190P57.2Low55.7Low110 Ų11093.1 Ų93.171%0.71451%0.505SS*.Hα-helixtrans-64.6-24.9173.928.3-32.3000112.7
191D55.3Low55.6Low113 Ų11394.8 Ų94.860%0.60451%0.51SS*.Hα-helixtrans-84.8-18.5-178.8-76.3-28.5000114.6Y189 R194 S195Y189-D191 PolarHBondContact O-N 2.88Å; D191-R194 PolarHBondContact O-N 2.86Å; D191-S195 WeakPolarHBondContact O-CB 3.4Å; D191-S195 PolarHBondContact O-N 2.88Å; D191-S195 PolarHBondContact O-OG 3.01Å
192I54.1Low56Low24 Ų2491.4 Ų91.412%0.12350%0.504CS..Hα-helixtrans-71.3-44.7-178.3-60.6-167.1000110.8Y189 R194 S195 A196 E233 I237Y189-I192 HydrophobicContact CD1-CD1 2.89Å; Y189-I192 HydrophobicContact CD1-CG1 3.58Å; Y189-I192 HydrophobicContact CE1-CD1 3.44Å; Y189-I192 VanDerWaalsContact CE1-CD1 3.44Å; Y189-I192 HydrophobicContact CE1-CG1 4.46Å; Y189-I192 HydrophobicContact CG-CD1 3.55Å; Y189-I192 HydrophobicContact CG-CG1 4.14Å; Y189-I192 PolarHBondContact O-N 3.17Å; I192-R194 PolarHBondContact O-N 3.46Å; I192-S195 PolarHBondContact O-N 3.12Å; I192-S195 VanDerWaalsContact O-N 3.14Å; I192-A196 VanDerWaalsContact O-CB 3.31Å; I192-A196 WeakPolarHBondContact O-CB 3.47Å; I192-A196 PolarHBondContact O-N 3.19Å; I192-E233 HydrophobicContact CD1-CG 3.88Å; I192-E233 WeakPolarHBondContact CD1-OE1 3.33Å; I192-E233 VanDerWaalsContact CG1-OE1 3.23Å; I192-E233 WeakPolarHBondContact CG1-OE1 3.49Å; I192-I237 HydrophobicContact CD1-CD1 4.24Å
193Y52.7Low55.8Low166 Ų16692.2 Ų92.265%0.65150%0.497SS*.Hα-helixtrans-65.5-27.7179.5-67.1-81.5000112.2K197Y193-K197 WeakPolarHBondContact O-CB 3.44Å
194R56.1Low56.1Low201 Ų20191.1 Ų91.176%0.75850%0.495SS*.Hα-helixtrans-75.5-38.1174-158.9176.4-164.3-160.23.7111.9D191 I192D191-R194 PolarHBondContact O-N 2.86Å; I192-R194 PolarHBondContact O-N 3.46Å
195S50.9Low56.5Low63 Ų6393.6 Ų93.644%0.44150%0.5SS..Hα-helixtrans-73.6-48.3179.2-62.70000111.7D191 I192 K197 S198 L199D191-S195 WeakPolarHBondContact O-CB 3.4Å; D191-S195 PolarHBondContact O-N 2.88Å; D191-S195 PolarHBondContact O-OG 3.01Å; I192-S195 PolarHBondContact O-N 3.12Å; I192-S195 VanDerWaalsContact O-N 3.14Å; S195-K197 PolarHBondContact O-N 3.33Å; S195-K197 VanDerWaalsContact O-N 3.15Å; S195-S198 PolarHBondContact O-N 3.19Å; S195-S198 VanDerWaalsContact O-N 3.12Å; S195-S198 PolarHBondContact O-OG 3.3Å; S195-L199 WeakPolarHBondContact O-CD1 3.43Å; S195-L199 PolarHBondContact O-N 3.02Å
196A54.7Low56.4Low57 Ų5791.9 Ų91.947%0.47149%0.494SS..Hα-helixtrans-61.7-25.3-179.400000113.8I192 P200I192-A196 VanDerWaalsContact O-CB 3.31Å; I192-A196 WeakPolarHBondContact O-CB 3.47Å; I192-A196 PolarHBondContact O-N 3.19Å; A196-P200 WeakPolarHBondContact O-CD 3.38Å
197K54Low56.6Low128 Ų12888.6 Ų88.656%0.55748%0.483SS*.THydrogen-bonded Turntrans-82.3-18.1179.6-155.1173.2-174.6-179.90113.9Y193 S195Y193-K197 WeakPolarHBondContact O-CB 3.44Å; S195-K197 PolarHBondContact O-N 3.33Å; S195-K197 VanDerWaalsContact O-N 3.15Å
198S55.9Low57Low70 Ų7091.3 Ų91.349%0.4948%0.478SS..THydrogen-bonded Turntrans-88.1-26175.771.30000112.9S195S195-S198 PolarHBondContact O-N 3.19Å; S195-S198 VanDerWaalsContact O-N 3.12Å; S195-S198 PolarHBondContact O-OG 3.3Å
199L57.1Low57.5Low37 Ų3794.8 Ų94.819%0.19448%0.48CS..Hα-helixtrans-63.8-43.6-177.7-97.376.6000115.9S195 K201 L203S195-L199 WeakPolarHBondContact O-CD1 3.43Å; S195-L199 PolarHBondContact O-N 3.02Å; L199-K201 PolarHBondContact O-N 3.41Å; L199-L203 PolarHBondContact O-N 3.41Å
200P61.2Low57.6Low83 Ų8396.2 Ų96.254%0.53949%0.49SS..Hα-helixtrans-77.9-21.2-172.427-33.9000113.7A196 G204A196-P200 WeakPolarHBondContact O-CD 3.38Å; P200-G204 PolarHBondContact O-N 2.75Å; P200-G204 VanDerWaalsContact O-N 3.09Å
201K61.5Low57.9Low158 Ų15898.9 Ų98.969%0.68749%0.492SS*.Hα-helixtrans-76.7-37.7-178.6-68.5-176.2179.5-178.50112.2L199 K205L199-K201 PolarHBondContact O-N 3.41Å; K201-K205 WeakPolarHBondContact O-CB 3.13Å; K201-K205 PolarHBondContact O-N 3.08Å; K201-K205 VanDerWaalsContact O-N 3.14Å
202D60.6Low58.1Low86 Ų86102.8 Ų102.846%0.4650%0.499SS..Hα-helixtrans-78.5-34178.3-147.223.9000111G204 K205 L206D202-G204 VanDerWaalsContact C-N 3.35Å; D202-G204 PolarHBondContact O-N 2.81Å; D202-K205 CarbonylContact O-C 3.58Å; D202-K205 PolarHBondContact O-N 3.14Å; D202-L206 WeakPolarHBondContact O-CB 3.04Å; D202-L206 VanDerWaalsContact O-CG 3.29Å; D202-L206 WeakPolarHBondContact O-CG 2.98Å; D202-L206 PolarHBondContact O-N 3.02Å
203L55.8Low58.2Low66 Ų66109.4 Ų109.435%0.34653%0.529SS..Hα-helixtrans-63.2-39.8171.4-150.189.7000112.1L199 K205 L206 L207 L223L199-L203 PolarHBondContact O-N 3.41Å; L203-K205 VanDerWaalsContact C-N 3.34Å; L203-L206 PolarHBondContact O-N 2.82Å; L203-L207 HydrophobicContact CD2-CD1 4.31Å; L203-L207 VanDerWaalsContact O-CB 3.31Å; L203-L207 WeakPolarHBondContact O-CB 3.29Å; L203-L207 PolarHBondContact O-N 2.9Å; L203-L223 HydrophobicContact CD1-CD2 3.77Å
204G64.6Low58.2Low38 Ų38109.3 Ų109.339%0.39254%0.54SS..Hα-helixtrans-65.6-37.5173.700000112.5P200 D202 M208P200-G204 PolarHBondContact O-N 2.75Å; P200-G204 VanDerWaalsContact O-N 3.09Å; D202-G204 VanDerWaalsContact C-N 3.35Å; D202-G204 PolarHBondContact O-N 2.81Å; G204-M208 VanDerWaalsContact O-CB 3.31Å; G204-M208 WeakPolarHBondContact O-CB 3.46Å; G204-M208 PolarHBondContact O-N 3.35Å
205K64.6Low58.3Low123 Ų123101.9 Ų101.954%0.53552%0.515SS..Hα-helixtrans-71.5-31176.3-158.6173.1-175.9-179.50112.3K201 D202 L203 R209K201-K205 WeakPolarHBondContact O-CB 3.13Å; K201-K205 PolarHBondContact O-N 3.08Å; K201-K205 VanDerWaalsContact O-N 3.14Å; D202-K205 CarbonylContact O-C 3.58Å; D202-K205 PolarHBondContact O-N 3.14Å; L203-K205 VanDerWaalsContact C-N 3.34Å; K205-R209 WeakPolarHBondContact O-CG 3.42Å; K205-R209 PolarHBondContact O-N 3.15Å
206L54.9Low58.8Low27 Ų27104.4 Ų104.414%0.14152%0.524CS..Hα-helixtrans-81.5-36.7175.6-72.2170000112.5D202 L203 M208 R209 M210 L215 L223D202-L206 WeakPolarHBondContact O-CB 3.04Å; D202-L206 VanDerWaalsContact O-CG 3.29Å; D202-L206 WeakPolarHBondContact O-CG 2.98Å; D202-L206 PolarHBondContact O-N 3.02Å; L203-L206 PolarHBondContact O-N 2.82Å; L206-M208 VanDerWaalsContact C-N 3.31Å; L206-M208 PolarHBondContact O-N 2.82Å; L206-R209 CarbonylContact O-C 3.53Å; L206-R209 PolarHBondContact O-N 3Å; L206-R209 VanDerWaalsContact O-N 3.11Å; L206-M210 VanDerWaalsContact O-CB 3.3Å; L206-M210 WeakPolarHBondContact O-CB 3.41Å; L206-M210 PolarHBondContact O-N 2.93Å; L206-L215 HydrophobicContact CD2-CD2 4.33Å; L206-L223 HydrophobicContact CD1-CD1 4.24Å
207L59.6Low59.7Low103 Ų103105.6 Ų105.654%0.53953%0.534SS..Hα-helixtrans-61.5-40.9169.6-93.1157000111.3L203 R209 M210 E211L203-L207 HydrophobicContact CD2-CD1 4.31Å; L203-L207 VanDerWaalsContact O-CB 3.31Å; L203-L207 WeakPolarHBondContact O-CB 3.29Å; L203-L207 PolarHBondContact O-N 2.9Å; L207-R209 PolarHBondContact O-N 3.14Å; L207-M210 PolarHBondContact O-N 3.37Å; L207-E211 PolarHBondContact O-N 3.14Å; L207-E211 VanDerWaalsContact O-N 3.15Å
208M61.5Low60.8Low131 Ų131105 Ų10565%0.64553%0.533SS*.Hα-helixtrans-68.3-24175.7-161.6-179.8-166.100112.8G204 L206G204-M208 VanDerWaalsContact O-CB 3.31Å; G204-M208 WeakPolarHBondContact O-CB 3.46Å; G204-M208 PolarHBondContact O-N 3.35Å; L206-M208 VanDerWaalsContact C-N 3.31Å; L206-M208 PolarHBondContact O-N 2.82Å
209R62.5Low61.3Low148 Ų148105.6 Ų105.656%0.55853%0.528SS*.Hα-helixtrans-85.1-37.6172-78.8179179.1170.9-3.2112.5K205 L206 L207 E211 R212 Q213K205-R209 WeakPolarHBondContact O-CG 3.42Å; K205-R209 PolarHBondContact O-N 3.15Å; L206-R209 CarbonylContact O-C 3.53Å; L206-R209 PolarHBondContact O-N 3Å; L206-R209 VanDerWaalsContact O-N 3.11Å; L207-R209 PolarHBondContact O-N 3.14Å; R209-E211 VanDerWaalsContact C-N 3.28Å; R209-E211 PolarHBondContact O-N 3.39Å; R209-R212 PolarHBondContact O-N 3.3Å; R209-Q213 PolarHBondContact O-N 3.16Å
210M55.2Low61.6Low89 Ų89106.2 Ų106.244%0.43853%0.531SS..Hα-helixtrans-60.3-35.7177.9-170.7170.5-9800112.2L206 L207 R212 L215 L220L206-M210 VanDerWaalsContact O-CB 3.3Å; L206-M210 WeakPolarHBondContact O-CB 3.41Å; L206-M210 PolarHBondContact O-N 2.93Å; L207-M210 PolarHBondContact O-N 3.37Å; M210-R212 PolarHBondContact O-N 3.43Å; M210-L215 HydrophobicContact CB-CD1 3.48Å; M210-L215 VanDerWaalsContact CB-CD1 3.48Å; M210-L215 HydrophobicContact CE-CD1 3.99Å; M210-L215 HydrophobicContact CG-CD1 4.01Å; M210-L220 HydrophobicContact CE-CD1 3.71Å; M210-L220 HydrophobicContact CE-CG 4.36Å
211E63.7Low62.5Low165 Ų165104.9 Ų104.977%0.77152%0.523SS*.THydrogen-bonded Turntrans-69.9-16.9178.3-168.1178.7-163.200112.8L207 R209L207-E211 PolarHBondContact O-N 3.14Å; L207-E211 VanDerWaalsContact O-N 3.15Å; R209-E211 VanDerWaalsContact C-N 3.28Å; R209-E211 PolarHBondContact O-N 3.39Å
212R59.1Low63.3Low195 Ų195104.8 Ų104.874%0.73652%0.519SS*.THydrogen-bonded Turntrans-113.5-22.5-172.6-77.6-176.6-161.7-108.4-5.5116.4R209 M210R209-R212 PolarHBondContact O-N 3.3Å; M210-R212 PolarHBondContact O-N 3.43Å
213Q57.1Low63.6Low164 Ų164102.6 Ų102.677%0.76651%0.507SS*.SBendtrans-169141.2-178.9-107.4150.713.500110.6R209 L215R209-Q213 PolarHBondContact O-N 3.16Å; Q213-L215 PolarHBondContact O-N 3.49Å; Q213-L215 VanDerWaalsContact O-N 3.16Å
214D52.6Low64.8Low163 Ų163107.2 Ų107.287%0.87252%0.52SS*.  trans-39.7109.2-175.7-58.3-62.8000113.6
215L56.9Low65.7Low46 Ų46109.9 Ų109.924%0.24153%0.528CS..  trans-83.9127.2168.4-78.7165.7000109.2L206 M210 Q213 A217L206-L215 HydrophobicContact CD2-CD2 4.33Å; M210-L215 HydrophobicContact CB-CD1 3.48Å; M210-L215 VanDerWaalsContact CB-CD1 3.48Å; M210-L215 HydrophobicContact CE-CD1 3.99Å; M210-L215 HydrophobicContact CG-CD1 4.01Å; Q213-L215 PolarHBondContact O-N 3.49Å; Q213-L215 VanDerWaalsContact O-N 3.16Å; L215-A217 PolarHBondContact O-N 2.89Å
216D62Low66.4Low116 Ų116108.9 Ų108.962%0.6252%0.521SS*.  trans-51.2130.4179.5-65.2-52.5000111.4E218 E219 L220D216-E218 PolarHBondContact O-N 3.32Å; D216-E219 PolarHBondContact O-N 2.95Å; D216-L220 PolarHBondContact O-N 3.49Å
217A73.6Confident67.5Low82 Ų82112.4 Ų112.468%0.67854%0.539SS*.Hα-helixtrans-52.7-2318000000113.5L215 S221L215-A217 PolarHBondContact O-N 2.89Å; A217-S221 PolarHBondContact O-N 3.34Å
218E77.9Confident68.8Low115 Ų115112.8 Ų112.854%0.53754%0.539SS..Hα-helixtrans-66.2-44.2174.5-166.3-178.916300112.6D216 L220 S221 R222D216-E218 PolarHBondContact O-N 3.32Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 3.13Å; E218-S221 PolarHBondContact O-N 3.42Å; E218-S221 PolarHBondContact O-OG 3.45Å; E218-R222 PolarHBondContact O-N 3.07Å; E218-R222 VanDerWaalsContact O-N 3.08Å; E218-R222 IonicContact OE1-CZ 2.87Å; E218-R222 IonicContact OE1-NE 3.85Å; E218-R222 IonicContact OE1-NH2 3.73Å; E218-R222 PolarHBondContact OE1-NH2 2.78Å
219E65.9Low69.9Low83 Ų83113 Ų11339%0.38854%0.538SS..Hα-helixtrans-67-34.7177.7-64.4-160151.100111.3D216 R222 L223D216-E219 PolarHBondContact O-N 2.95Å; E219-R222 PolarHBondContact O-N 3.27Å; E219-L223 WeakPolarHBondContact O-CG 3.31Å; E219-L223 PolarHBondContact O-N 3.41Å
220L62.1Low70.7Confident50 Ų50108.2 Ų108.226%0.26253%0.525SS..Hα-helixtrans-66.4-38.4175.7-152.4156.9000111.3M210 D216 E218 L223 R224M210-L220 HydrophobicContact CE-CD1 3.71Å; M210-L220 HydrophobicContact CE-CG 4.36Å; D216-L220 PolarHBondContact O-N 3.49Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 3.13Å; L220-L223 PolarHBondContact O-N 3.36Å; L220-R224 HydrophobicContact CD2-CG 4.21Å; L220-R224 VanDerWaalsContact CD2-NH1 3.33Å; L220-R224 WeakPolarHBondContact O-CG 3.5Å; L220-R224 PolarHBondContact O-N 3.18Å
221S80.1Confident72.1Confident54 Ų54109.8 Ų109.838%0.37853%0.532SS..Hα-helixtrans-65.6-42.4174.474.60000112.5A217 E218 L223 R224 V225A217-S221 PolarHBondContact O-N 3.34Å; E218-S221 PolarHBondContact O-N 3.42Å; E218-S221 PolarHBondContact O-OG 3.45Å; S221-L223 VanDerWaalsContact C-N 3.29Å; S221-L223 PolarHBondContact O-N 3.36Å; S221-R224 PolarHBondContact O-N 2.92Å; S221-V225 WeakPolarHBondContact O-CG2 3.23Å; S221-V225 PolarHBondContact O-N 3.25Å
222R79.3Confident73.1Confident156 Ų156107.9 Ų107.959%0.58952%0.522SS*.Hα-helixtrans-62-39.1175.9-70.3-178.3-172.9169.94.7111.8E218 E219 R226E218-R222 PolarHBondContact O-N 3.07Å; E218-R222 VanDerWaalsContact O-N 3.08Å; E218-R222 IonicContact OE1-CZ 2.87Å; E218-R222 IonicContact OE1-NE 3.85Å; E218-R222 IonicContact OE1-NH2 3.73Å; E218-R222 PolarHBondContact OE1-NH2 2.78Å; E219-R222 PolarHBondContact O-N 3.27Å; R222-R226 WeakPolarHBondContact O-CB 3.48Å; R222-R226 PolarHBondContact O-N 3.18Å; R222-R226 VanDerWaalsContact O-N 3.12Å
223L66.8Low74.1Confident41 Ų41102 Ų10222%0.21550%0.503CS..Hα-helixtrans-66.6-41.9175.7-76.4165.8000112.2L203 L206 E219 L220 S221 R226 L227L203-L223 HydrophobicContact CD1-CD2 3.77Å; L206-L223 HydrophobicContact CD1-CD1 4.24Å; E219-L223 WeakPolarHBondContact O-CG 3.31Å; E219-L223 PolarHBondContact O-N 3.41Å; L220-L223 PolarHBondContact O-N 3.36Å; S221-L223 VanDerWaalsContact C-N 3.29Å; S221-L223 PolarHBondContact O-N 3.36Å; L223-R226 PolarHBondContact O-N 3.18Å; L223-L227 WeakPolarHBondContact O-CB 3.41Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 3.02Å
224R81Confident74.9Confident163 Ų16399.9 Ų99.962%0.61550%0.495SS*.Hα-helixtrans-60.7-49.4175.6-77.6-178-177.4136.2-1.4111.9L220 S221 R226 L227 E228L220-R224 HydrophobicContact CD2-CG 4.21Å; L220-R224 VanDerWaalsContact CD2-NH1 3.33Å; L220-R224 WeakPolarHBondContact O-CG 3.5Å; L220-R224 PolarHBondContact O-N 3.18Å; S221-R224 PolarHBondContact O-N 2.92Å; R224-R226 VanDerWaalsContact C-N 3.25Å; R224-R226 PolarHBondContact O-N 2.92Å; R224-L227 PolarHBondContact O-N 3.36Å; R224-L227 VanDerWaalsContact O-N 3.17Å; R224-E228 WeakPolarHBondContact O-CB 2.9Å; R224-E228 PolarHBondContact O-N 2.99Å
225V83.2Confident76.6Confident93 Ų9395.8 Ų95.856%0.56448%0.476SS*.Hα-helixtrans-58.8-39.9178.6173.20000111.1S221 Q229S221-V225 WeakPolarHBondContact O-CG2 3.23Å; S221-V225 PolarHBondContact O-N 3.25Å; V225-Q229 PolarHBondContact O-N 3.42Å
226R79.6Confident77.9Confident103 Ų103101.3 Ų101.339%0.38949%0.493SS..Hα-helixtrans-76.1-30.8179.6-155.5171.274145.2-7.3113.3R222 L223 R224 T230R222-R226 WeakPolarHBondContact O-CB 3.48Å; R222-R226 PolarHBondContact O-N 3.18Å; R222-R226 VanDerWaalsContact O-N 3.12Å; L223-R226 PolarHBondContact O-N 3.18Å; R224-R226 VanDerWaalsContact C-N 3.25Å; R224-R226 PolarHBondContact O-N 2.92Å; R226-T230 PolarHBondContact O-N 2.85Å; R226-T230 PolarHBondContact O-OG1 2.87Å
227L78.1Confident79Confident101 Ų10198 Ų9853%0.52948%0.475SS..Hα-helixtrans-65.8-44.8170.8-84.7166.8000110.9L223 R224 Q229 T230 E231L223-L227 WeakPolarHBondContact O-CB 3.41Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 3.02Å; R224-L227 PolarHBondContact O-N 3.36Å; R224-L227 VanDerWaalsContact O-N 3.17Å; L227-Q229 VanDerWaalsContact C-N 3.29Å; L227-Q229 PolarHBondContact O-N 3.28Å; L227-T230 CarbonylContact O-C 3.59Å; L227-T230 PolarHBondContact O-N 3.43Å; L227-T230 VanDerWaalsContact O-N 3.08Å; L227-E231 WeakPolarHBondContact O-CB 3.41Å; L227-E231 PolarHBondContact O-N 3.43Å
228E85.6Confident79.7Confident111 Ų11198.1 Ų98.152%0.51946%0.464SS..Hα-helixtrans-60.9-39.5175.7-173.3174-169.300111.3R224 E231 H232R224-E228 WeakPolarHBondContact O-CB 2.9Å; R224-E228 PolarHBondContact O-N 2.99Å; E228-E231 PolarHBondContact O-N 2.92Å; E228-H232 PolarHBondContact O-N 3.42Å; E228-H232 VanDerWaalsContact O-N 3.14Å; E228-H232 PolarHBondContact O-ND1 3.36Å
229Q85.4Confident80.2Confident134 Ų13498.9 Ų98.963%0.62647%0.467SS*.Hα-helixtrans-63.5-41.2172.7-174.7174.7-2.200112.4V225 L227 H232 E233V225-Q229 PolarHBondContact O-N 3.42Å; L227-Q229 VanDerWaalsContact C-N 3.29Å; L227-Q229 PolarHBondContact O-N 3.28Å; Q229-H232 PolarHBondContact O-N 2.83Å; Q229-E233 PolarHBondContact O-N 3.18Å; Q229-E233 VanDerWaalsContact O-N 3.16Å
230T79.9Confident81Confident49 Ų4997.5 Ų97.530%0.30147%0.47SS..Hα-helixtrans-69.8-35179.3-51.90000111.4R226 L227 E233 M234R226-T230 PolarHBondContact O-N 2.85Å; R226-T230 PolarHBondContact O-OG1 2.87Å; L227-T230 CarbonylContact O-C 3.59Å; L227-T230 PolarHBondContact O-N 3.43Å; L227-T230 VanDerWaalsContact O-N 3.08Å; T230-E233 PolarHBondContact O-N 3.28Å; T230-M234 WeakPolarHBondContact O-CB 3.27Å; T230-M234 PolarHBondContact O-N 3.5Å
231E84.2Confident81.7Confident122 Ų12298.6 Ų98.657%0.5748%0.475SS*.Hα-helixtrans-62.5-46.2175.2179.5-175.2-174.300111.5L227 E228 E233 M234 T235L227-E231 WeakPolarHBondContact O-CB 3.41Å; L227-E231 PolarHBondContact O-N 3.43Å; E228-E231 PolarHBondContact O-N 2.92Å; E231-E233 VanDerWaalsContact C-N 3.29Å; E231-E233 PolarHBondContact O-N 3.11Å; E231-M234 PolarHBondContact O-N 2.91Å; E231-T235 WeakPolarHBondContact O-CB 3.36Å; E231-T235 PolarHBondContact O-N 3.15Å; E231-T235 PolarHBondContact O-OG1 3.07Å
232H85Confident81.9Confident125 Ų125101.3 Ų101.358%0.57948%0.482SS*.Hα-helixtrans-63.6-37.6176.8-77.579.1000111.8E228 Q229 R236E228-H232 PolarHBondContact O-N 3.42Å; E228-H232 VanDerWaalsContact O-N 3.14Å; E228-H232 PolarHBondContact O-ND1 3.36Å; Q229-H232 PolarHBondContact O-N 2.83Å; H232-R236 PolarHBondContact O-N 2.94Å; H232-R236 VanDerWaalsContact O-N 3.07Å
233E79.2Confident82Confident72 Ų7297.8 Ų97.834%0.33648%0.481SS..Hα-helixtrans-66.6-45.4176.7-173.7171.1-136.800111.7I192 Q229 T230 E231 T235 R236 I237I192-E233 HydrophobicContact CD1-CG 3.88Å; I192-E233 WeakPolarHBondContact CD1-OE1 3.33Å; I192-E233 VanDerWaalsContact CG1-OE1 3.23Å; I192-E233 WeakPolarHBondContact CG1-OE1 3.49Å; Q229-E233 PolarHBondContact O-N 3.18Å; Q229-E233 VanDerWaalsContact O-N 3.16Å; T230-E233 PolarHBondContact O-N 3.28Å; E231-E233 VanDerWaalsContact C-N 3.29Å; E231-E233 PolarHBondContact O-N 3.11Å; E233-T235 PolarHBondContact O-N 3.21Å; E233-R236 PolarHBondContact O-N 3.09Å; E233-I237 HydrophobicContact CG-CD1 4.46Å; E233-I237 WeakPolarHBondContact O-CG1 3.38Å; E233-I237 PolarHBondContact O-N 3.03Å; E233-I237 VanDerWaalsContact O-N 3.13Å
234M75.4Confident82.8Confident119 Ų11997.7 Ų97.759%0.58649%0.486SS*.Hα-helixtrans-63.5-41.8176.4-176.8171.4172.900111.8T230 E231 R236 I237 L238T230-M234 WeakPolarHBondContact O-CB 3.27Å; T230-M234 PolarHBondContact O-N 3.5Å; E231-M234 PolarHBondContact O-N 2.91Å; M234-R236 VanDerWaalsContact C-N 3.33Å; M234-R236 PolarHBondContact O-N 2.82Å; M234-I237 PolarHBondContact O-N 2.96Å; M234-L238 HydrophobicContact CE-CD1 4.21Å; M234-L238 HydrophobicContact CG-CD1 4.27Å; M234-L238 HydrophobicContact CG-CG 4.49Å; M234-L238 WeakPolarHBondContact O-CG 3.48Å; M234-L238 PolarHBondContact O-N 3.33Å
235T86.6Confident82.6Confident76 Ų7695.1 Ų95.147%0.46648%0.481SS..Hα-helixtrans-61.3-41.8177.1-55.20000111.3E231 E233 I237 L238 Q239E231-T235 WeakPolarHBondContact O-CB 3.36Å; E231-T235 PolarHBondContact O-N 3.15Å; E231-T235 PolarHBondContact O-OG1 3.07Å; E233-T235 PolarHBondContact O-N 3.21Å; T235-I237 VanDerWaalsContact C-N 3.32Å; T235-I237 PolarHBondContact O-N 3.47Å; T235-L238 PolarHBondContact O-N 3.21Å; T235-Q239 WeakPolarHBondContact O-CB 3.45Å; T235-Q239 PolarHBondContact O-N 2.87Å
236R85.9Confident82.6Confident162 Ų16295.7 Ų95.761%0.61148%0.481SS*.Hα-helixtrans-61.5-40.9175.4-178.3-175.5-73.1169.4-2.5111.9H232 E233 M234 A240H232-R236 PolarHBondContact O-N 2.94Å; H232-R236 VanDerWaalsContact O-N 3.07Å; E233-R236 PolarHBondContact O-N 3.09Å; M234-R236 VanDerWaalsContact C-N 3.33Å; M234-R236 PolarHBondContact O-N 2.82Å; R236-A240 WeakPolarHBondContact O-CB 3.34Å; R236-A240 PolarHBondContact O-N 2.85Å
237I85.1Confident82.5Confident48 Ų4894 Ų9425%0.24649%0.489CS..Hα-helixtrans-67.5-45.6178.9-66.2166.4000110.5I192 E233 M234 T235 Q239 A240 M241I192-I237 HydrophobicContact CD1-CD1 4.24Å; E233-I237 HydrophobicContact CG-CD1 4.46Å; E233-I237 WeakPolarHBondContact O-CG1 3.38Å; E233-I237 PolarHBondContact O-N 3.03Å; E233-I237 VanDerWaalsContact O-N 3.13Å; M234-I237 PolarHBondContact O-N 2.96Å; T235-I237 VanDerWaalsContact C-N 3.32Å; T235-I237 PolarHBondContact O-N 3.47Å; I237-Q239 VanDerWaalsContact C-N 3.3Å; I237-Q239 PolarHBondContact O-N 3.26Å; I237-A240 PolarHBondContact O-N 3.19Å; I237-M241 HydrophobicContact CG2-CG 4.37Å; I237-M241 HydrophobicContact CG2-SD 4.09Å; I237-M241 WeakPolarHBondContact O-CB 3.32Å; I237-M241 WeakPolarHBondContact O-CG 3.36Å; I237-M241 PolarHBondContact O-N 2.84Å
238L86.5Confident82.2Confident84 Ų8493 Ų9344%0.4448%0.483SS..Hα-helixtrans-59.7-42.9176.7-70.2174.7000111.3M234 T235 M241 Q242M234-L238 HydrophobicContact CE-CD1 4.21Å; M234-L238 HydrophobicContact CG-CD1 4.27Å; M234-L238 HydrophobicContact CG-CG 4.49Å; M234-L238 WeakPolarHBondContact O-CG 3.48Å; M234-L238 PolarHBondContact O-N 3.33Å; T235-L238 PolarHBondContact O-N 3.21Å; L238-M241 PolarHBondContact O-N 3.07Å; L238-Q242 WeakPolarHBondContact O-CB 3.42Å; L238-Q242 WeakPolarHBondContact O-CG 3.46Å; L238-Q242 PolarHBondContact O-N 3.07Å
239Q88.7Confident81.6Confident130 Ų13096.8 Ų96.861%0.60749%0.493SS*.Hα-helixtrans-63.9-41.4175.4-172.5179.912.600112.3T235 I237 M241 Q242 S243T235-Q239 WeakPolarHBondContact O-CB 3.45Å; T235-Q239 PolarHBondContact O-N 2.87Å; I237-Q239 VanDerWaalsContact C-N 3.3Å; I237-Q239 PolarHBondContact O-N 3.26Å; Q239-M241 VanDerWaalsContact C-N 3.33Å; Q239-Q242 PolarHBondContact O-N 3.31Å; Q239-S243 WeakPolarHBondContact O-CB 3.42Å; Q239-S243 PolarHBondContact O-N 3.36Å
240A82.8Confident80.6Confident54 Ų5492.7 Ų92.745%0.44649%0.486SS..Hα-helixtrans-65.1-37.6175.700000111.9R236 I237 A244R236-A240 WeakPolarHBondContact O-CB 3.34Å; R236-A240 PolarHBondContact O-N 2.85Å; I237-A240 PolarHBondContact O-N 3.19Å; A240-A244 WeakPolarHBondContact O-CB 3.4Å; A240-A244 PolarHBondContact O-N 3.1Å
241M76.6Confident79.5Confident74 Ų7493.8 Ų93.837%0.36550%0.496SS..Hα-helixtrans-66.2-46.2174.3-74179.563.600111.6W181 F185 I237 L238 Q239 S243 A244 E245W181-M241 HydrophobicContact CH2-CE 4.45Å; F185-M241 HydrophobicContact CZ-CG 4.44Å; I237-M241 HydrophobicContact CG2-CG 4.37Å; I237-M241 HydrophobicContact CG2-SD 4.09Å; I237-M241 WeakPolarHBondContact O-CB 3.32Å; I237-M241 WeakPolarHBondContact O-CG 3.36Å; I237-M241 PolarHBondContact O-N 2.84Å; L238-M241 PolarHBondContact O-N 3.07Å; Q239-M241 VanDerWaalsContact C-N 3.33Å; M241-S243 VanDerWaalsContact C-N 3.34Å; M241-S243 PolarHBondContact O-N 3.48Å; M241-A244 PolarHBondContact O-N 2.97Å; M241-A244 VanDerWaalsContact O-N 3.15Å; M241-E245 WeakPolarHBondContact O-CB 3.48Å; M241-E245 PolarHBondContact O-N 2.71Å
242Q84.5Confident77.9Confident111 Ų11194.5 Ų94.552%0.51950%0.503SS..Hα-helixtrans-60.3-44175.9-73.5180-23.200111.3L238 Q239 A244 E245 D246L238-Q242 WeakPolarHBondContact O-CB 3.42Å; L238-Q242 WeakPolarHBondContact O-CG 3.46Å; L238-Q242 PolarHBondContact O-N 3.07Å; Q239-Q242 PolarHBondContact O-N 3.31Å; Q242-A244 VanDerWaalsContact C-N 3.3Å; Q242-A244 PolarHBondContact O-N 2.93Å; Q242-E245 WeakPolarHBondContact CA-OE1 3.46Å; Q242-E245 WeakPolarHBondContact CG-OE1 3.45Å; Q242-E245 WeakPolarHBondContact O-CG 3.45Å; Q242-E245 PolarHBondContact O-N 2.9Å; Q242-D246 PolarHBondContact O-N 3.36Å
243S81.5Confident76.5Confident82 Ų8296.9 Ų96.957%0.57351%0.514SS*.Hα-helixtrans-62.7-36.6175.2-179.30000113Q239 M241 A247Q239-S243 WeakPolarHBondContact O-CB 3.42Å; Q239-S243 PolarHBondContact O-N 3.36Å; M241-S243 VanDerWaalsContact C-N 3.34Å; M241-S243 PolarHBondContact O-N 3.48Å; S243-A247 WeakPolarHBondContact O-CB 3.22Å; S243-A247 PolarHBondContact O-N 2.91Å
244A83.1Confident75.3Confident38 Ų38102 Ų10231%0.31454%0.538SS..Hα-helixtrans-72.7-34.4176.700000112.2A240 M241 Q242 L248A240-A244 WeakPolarHBondContact O-CB 3.4Å; A240-A244 PolarHBondContact O-N 3.1Å; M241-A244 PolarHBondContact O-N 2.97Å; M241-A244 VanDerWaalsContact O-N 3.15Å; Q242-A244 VanDerWaalsContact C-N 3.3Å; Q242-A244 PolarHBondContact O-N 2.93Å; A244-L248 WeakPolarHBondContact O-CG 3.29Å; A244-L248 PolarHBondContact O-N 3.25Å; A244-L248 VanDerWaalsContact O-N 3.07Å
245E77.7Confident73.5Confident109 Ų109103.6 Ų103.651%0.50954%0.544SS..Hα-helixtrans-70.3-40.217895.4-164.7152.400111.5M241 Q242 L248 R249M241-E245 WeakPolarHBondContact O-CB 3.48Å; M241-E245 PolarHBondContact O-N 2.71Å; Q242-E245 WeakPolarHBondContact CA-OE1 3.46Å; Q242-E245 WeakPolarHBondContact CG-OE1 3.45Å; Q242-E245 WeakPolarHBondContact O-CG 3.45Å; Q242-E245 PolarHBondContact O-N 2.9Å; E245-L248 PolarHBondContact O-N 3.45Å; E245-R249 WeakPolarHBondContact O-CB 3.47Å; E245-R249 PolarHBondContact O-N 3.46Å
246D82.7Confident71.2Confident106 Ų106108.2 Ų108.257%0.56756%0.56SS**Hα-helixtrans-64.4-41.2174.5-75-24.4000111.6Q242 L248 R249 G250Q242-D246 PolarHBondContact O-N 3.36Å; D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 3.49Å; D246-R249 PolarHBondContact O-N 2.75Å; D246-G250 PolarHBondContact O-N 3.19Å
247A78Confident69.1Low67 Ų67107.6 Ų107.655%0.55457%0.567SS**Hα-helixtrans-62.8-38.7175.100000112.1S243 S251S243-A247 WeakPolarHBondContact O-CB 3.22Å; S243-A247 PolarHBondContact O-N 2.91Å; A247-S251 PolarHBondContact O-N 3.46Å
248L72.1Confident66.9Low79 Ų79111.9 Ų111.941%0.41459%0.591SS.*Hα-helixtrans-67.8-41.3174.4-79.9163.4000111.7F179 A244 E245 D246 G250 S251 I252F179-L248 HydrophobicContact CE2-CD1 4.12Å; F179-L248 HydrophobicContact CZ-CD1 4.37Å; A244-L248 WeakPolarHBondContact O-CG 3.29Å; A244-L248 PolarHBondContact O-N 3.25Å; A244-L248 VanDerWaalsContact O-N 3.07Å; E245-L248 PolarHBondContact O-N 3.45Å; D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 3.49Å; L248-G250 VanDerWaalsContact C-N 3.32Å; L248-G250 PolarHBondContact O-N 3.21Å; L248-S251 PolarHBondContact O-N 3.27Å; L248-S251 PolarHBondContact O-OG 3.32Å; L248-I252 PolarHBondContact O-N 2.99Å
249R73.5Confident64.9Low192 Ų192116.2 Ų116.273%0.72561%0.609SS**Hα-helixtrans-65.6-35.9179.4-154.5171.3-173.8-82.8-2.8111.8E245 D246 I252E245-R249 WeakPolarHBondContact O-CB 3.47Å; E245-R249 PolarHBondContact O-N 3.46Å; D246-R249 PolarHBondContact O-N 2.75Å; R249-I252 PolarHBondContact O-N 3.02Å
250G63.6Low62.7Low47 Ų47113.3 Ų113.349%0.48561%0.613SS.*Hα-helixtrans-68-32.2172.800000113.8D246 L248 I252D246-G250 PolarHBondContact O-N 3.19Å; L248-G250 VanDerWaalsContact C-N 3.32Å; L248-G250 PolarHBondContact O-N 3.21Å; G250-I252 VanDerWaalsContact C-N 3.27Å; G250-I252 PolarHBondContact O-N 2.88Å
251S57.8Low60.8Low73 Ų73119 Ų11951%0.5164%0.635SS.*Hα-helixtrans-76.2-9178.768.10000115A247 L248A247-S251 PolarHBondContact O-N 3.46Å; L248-S251 PolarHBondContact O-N 3.27Å; L248-S251 PolarHBondContact O-OG 3.32Å
252I50.5Low59Low137 Ų137123.8 Ų123.870%0.70365%0.654SS**THydrogen-bonded Turntrans-84.9-14.6179.6-71.3168.8000112.2L248 R249 G250L248-I252 PolarHBondContact O-N 2.99Å; R249-I252 PolarHBondContact O-N 3.02Å; G250-I252 VanDerWaalsContact C-N 3.27Å; G250-I252 PolarHBondContact O-N 2.88Å
253E54.7Low56.6Low174 Ų174123.9 Ų123.981%0.81366%0.662SS**SBendtrans-93.31.2179.8-71.7-175.2160.900114.7
254E53.8Low54.5Low180 Ų180126.1 Ų126.184%0.84167%0.673SS**SBendtrans-112.626.1-175.4-76.3-164.4149.100116.4
255Q39.1Very low52.5Low152 Ų152129.5 Ų129.571%0.7169%0.689SS**  trans-138.583.1171.9-157.3169.813.100113.5
256E38.1Very low50.5Low174 Ų174130.6 Ų130.681%0.81371%0.706SS**  trans-80146166.9-152.3-176.1178.100110.1
257I40.5Very low48.3Very low148 Ų148131.8 Ų131.876%0.75971%0.708SS**  trans83.696.6164.1-39.3164.7000116.8
258D39.6Very low46Very low138 Ų138138.8 Ų138.874%0.73872%0.72SS**  168.6124.7101.7-15327.9000111.5
259E45.2Very low44.5Very low176 Ų176142.9 Ų142.982%0.82274%0.737SS**  trans46.9113.7150.5-59.7-97.114900121.4
260G42.1Very low42.5Very low68 Ų68141.5 Ų141.570%0.70174%0.739SS**  trans113.7107.5134.500000118.7
261I42.1Very low41.2Very low175 Ų175145.2 Ų145.290%0.89776%0.757SS**  trans86.7120.5142.4-64.1165.2000118.5
262F39.1Very low39.9Very low174 Ų174144.9 Ų144.976%0.76377%0.765SS**  trans96.281.7159.5-145.8-99.6000118.3T264F262-T264 HydrophobicContact CE1-CG2 4.46Å; F262-T264 PolarHBondContact O-N 3.28Å
263T33.3Very low39.3Very low112 Ų112144.6 Ų144.669%0.68777%0.769SS**  trans-30.2118.7148.753.50000115
264T38.9Very low38.2Very low130 Ų130143.1 Ų143.180%0.79877%0.767SS**  -154.8102.1126.247.30000108.3F262F262-T264 HydrophobicContact CE1-CG2 4.46Å; F262-T264 PolarHBondContact O-N 3.28Å
265T40.3Very low37.8Very low109 Ų109142.6 Ų142.667%0.66977%0.769SS**  trans-115.7139.7172.3-27.50000107.2H267T265-H267 HydrophobicContact CG2-CB 3.96Å
266P36.6Very low38Very low131 Ų131139.6 Ų139.685%0.85177%0.765SS**  trans-97.793.4142.430.3-18.5000106.7
267H35.4Very low38.2Very low131 Ų131139.5 Ų139.561%0.60677%0.765SS**  trans-79.7120.3173.4-155.6-99000108.4T265 E269T265-H267 HydrophobicContact CG2-CB 3.96Å; H267-E269 IonicContact CE1-OE1 3.52Å; H267-E269 WeakPolarHBondContact ND1-CG 3.5Å; H267-E269 IonicContact ND1-OE1 3.56Å; H267-E269 IonicContact ND1-OE2 3.25Å
268R30.6Very low38.5Very low215 Ų215140 Ų14081%0.81177%0.769SS**  trans-79.9109.5167.3169.5-179163.995.3-3.4106.5
269E39.2Very low38.9Very low165 Ų165142.6 Ų142.677%0.77178%0.777SS**  trans-119.2112.1172.8-111.3171174.400110.5H267H267-E269 IonicContact CE1-OE1 3.52Å; H267-E269 WeakPolarHBondContact ND1-CG 3.5Å; H267-E269 IonicContact ND1-OE1 3.56Å; H267-E269 IonicContact ND1-OE2 3.25Å
270Q32.2Very low38.9Very low163 Ų163144.9 Ų144.976%0.76278%0.779SS**  trans-70.5126.2152.5-73169.4-14.300107.5
271S35.7Very low39.1Very low124 Ų124148.2 Ų148.287%0.86778%0.78SS**  trans175.1120.6140.7-171.80000110.5
272G30.6Very low39.4Very low67 Ų67147.8 Ų147.869%0.69177%0.774SS**  trans35.8124.5151.800000121
273V38.7Very low39.3Very low130 Ų130147 Ų14779%0.78878%0.777SS**  169.4111.6112.7160.90000109.5
274N30.7Very low39.8Very low143 Ų143150.2 Ų150.277%0.76579%0.785SS**  trans48.7112.2147.3-56.5-25.9000121
275L45.9Very low40.1Very low169 Ų169150.2 Ų150.289%0.88578%0.784SS**  trans-162.5109.6133.8-103136000110.6
276S43.9Very low40.4Very low89 Ų89153.1 Ų153.162%0.62280%0.795SS**  trans15.6112.9150.854.70000117.9
277E41.6Very low40.4Very low173 Ų173154.2 Ų154.281%0.80879%0.794SS**  82128.297-73.2175.617400112.2
278D47.3Very low40.9Very low158 Ų158159.4 Ų159.485%0.84581%0.808SS**  trans80.8124.6174-41.9-35000114.5
279E46.7Very low41.8Very low193 Ų193158.2 Ų158.290%0.90281%0.811SS**  cis-164.815725.3-157.1173.2176.900109.7
280Y45.6Very low42.1Very low223 Ų223157.9 Ų157.988%0.87581%0.813SS**  trans-84.4175.6-165.3-109.4-110.5000115.5
281I46.7Very low42.5Very low139 Ų139156.7 Ų156.771%0.71382%0.817SS**  trans99.388.7157-45-171.2000114.4
282E48.5Very low43.3Very low165 Ų165159.3 Ų159.377%0.77182%0.816SS**  74.8114.379.6-163.7179.5-145.900112.5
283N37.9Very low44.4Very low157 Ų157165.4 Ų165.484%0.8483%0.827SS**  trans173.681.9139.2-81.1-36.2000110
284E43.8Very low44.5Very low181 Ų181166.8 Ų166.885%0.84683%0.83SS**  trans-66.6164.7150.8-168.6175.6165.300108.9
285V44.5Very low45.2Very low129 Ų129169 Ų16978%0.78284%0.835SS**  trans94.183.8176.4-165.80000115.7
286L45.4Very low45.1Very low171 Ų171166.2 Ų166.290%0.89583%0.83SS**  trans-156.451.3140.1-139.1103.6000112.8
287D37.3Very low45Very low154 Ų154168.3 Ų168.382%0.82484%0.839SS**  trans-112.193.9162.3-78.7-30.9000108.3
288R46.9Very low44.8Very low240 Ų240168 Ų16891%0.90684%0.837SS**  trans16590.8157.3-99.6173.5-82.9-149.1-1.9110.3
289E48.1Very low44.2Very low189 Ų189166 Ų16688%0.88383%0.826SS**  trans-167.8153.1145.5-137.8161.9149.900108.6
290I46.5Very low43.9Very low158 Ų158167.1 Ų167.181%0.8183%0.828SS**  trans86.462.6179.4-36.6163.7000114.1
291T40Very low43.6Very low138 Ų138162.5 Ų162.585%0.84782%0.819SS**  trans-126.2141.6141.3-40.10000105
292E53.5Low43.2Very low180 Ų180163 Ų16384%0.84182%0.822SS**  trans87.8102.7-157.7-56172.3-175.700109.2
293E51.8Low42.7Very low195 Ų195159.7 Ų159.791%0.91182%0.816SS**  -143.9120.558.9-61.3-174.3143.500111.3
294N42.1Very low42.7Very low159 Ų159161.1 Ų161.185%0.8582%0.818SS**  trans-89.5158.3156-95.4-16.9000108
295E46.3Very low42.5Very low188 Ų188157.9 Ų157.988%0.87982%0.815SS**  trans8199.3176.6-62.5-174.4128.100116.2
296S41.9Very low42.4Very low112 Ų112161.6 Ų161.678%0.78382%0.821SS**  174.5127.5105.4460000112.9
297V43Very low42.5Very low133 Ų133161.1 Ų161.181%0.80681%0.814SS**  trans71.990.9135.8-173.40000117.6
298H36.4Very low42.5Very low167 Ų167160.1 Ų160.177%0.77381%0.809SS**  trans-22.9117.8130.6-165.5-60.5000114.9
299D35.9Very low42Very low116 Ų116155.6 Ų155.662%0.6280%0.802SS**  trans155.8118.6141.7-85.8-17.9000109.2
300F39.4Very low41.7Very low215 Ų215154.7 Ų154.794%0.94380%0.798SS**  trans-154.4127134.9-132.1-93.9000112.9
301N40.4Very low41.1Very low127 Ų127153.3 Ų153.368%0.67979%0.791SS**  trans-76.9153.1-176.5-90.9-68.1000113.2
302I36.9Very low41.5Very low150 Ų150152.2 Ų152.277%0.76979%0.786SS**  trans-25.1125.6145.3-68155.8000113.9
303S38.8Very low41.1Very low94 Ų94153.4 Ų153.466%0.65778%0.784SS**  149.8143.1126-75.40000114.4
304Q38.6Very low40.9Very low187 Ų187153.3 Ų153.387%0.87478%0.784SS**  trans79.7102.6152-74.5-177.968.800119.6
305S38.5Very low40.9Very low113 Ų113152.7 Ų152.779%0.7978%0.781SS**  172.390.4122.457.40000107.2
306K41.7Very low40.9Very low208 Ų208149 Ų14990%0.90477%0.77SS**  49.388.876-148.1-175.1-162175.50112.4
307E47.8Very low41Very low160 Ų160149.3 Ų149.375%0.74877%0.768SS**  trans-175.5136.8140.555.8-179.3-179.500111.7
308N37.4Very low40.9Very low133 Ų133148.9 Ų148.971%0.71177%0.765SS**  trans73.8130.8159.6-43.2-41.2000114.9
309L37.9Very low41.1Very low145 Ų145150.1 Ų150.176%0.75977%0.769SS**  cis-170123.715.1-165.161.7000106.5
310E40Very low41.6Very low170 Ų170150.8 Ų150.879%0.79477%0.772SS**  trans52.8109.7137-142.3154.5176.600120.9
311I35Very low42Very low130 Ų130148.2 Ų148.267%0.66777%0.769SS**PPolyproline II helixtrans-102.8131.2160.6-59167.4000107.8Y313I311-Y313 HydrophobicContact CG2-CD2 4.07Å; I311-Y313 HydrophobicContact CG2-CE2 3.93Å
312P47.4Very low42.3Very low115 Ų115149.3 Ų149.375%0.74777%0.769SS**PPolyproline II helixtrans-98129.1155.4-0.420.1000110.8
313Y45.1Very low42.8Very low205 Ų205148.5 Ų148.580%0.80477%0.767SS**PPolyproline II helixtrans-91.8123.1166.5-67.9-96.3000109I311I311-Y313 HydrophobicContact CG2-CD2 4.07Å; I311-Y313 HydrophobicContact CG2-CE2 3.93Å
314E48.1Very low43.3Very low192 Ų192152.3 Ų152.390%0.89777%0.771SS**  trans-156.6146.6157.7-68.5-167.3-18000105.2
315D42.7Very low43.6Very low147 Ų147150.5 Ų150.579%0.78677%0.768SS**  cis-175.9177.1-19.2-161.6-4.8000102.1
316V45.3Very low44.2Very low110 Ų110151 Ų15167%0.66777%0.766SS**  trans9196.1156.9-159.50000118.8
317T44.5Very low44.5Very low119 Ų119147 Ų14773%0.7376%0.759SS**  90.1104.9129.664.60000122.6
318T40.5Very low44.4Very low123 Ų123148.2 Ų148.276%0.75577%0.765SS**  trans-30.8132.7133.3-38.50000116
319F41.5Very low44.6Very low194 Ų194147.1 Ų147.185%0.85177%0.768SS**  trans-145.7102.1148-106.5-89.6000104.1
320D45.4Very low45.1Very low129 Ų129145.6 Ų145.669%0.6977%0.768SS**  36.6107.294.5-79.2-36.6000112.7
321D48.6Very low45.4Very low161 Ų161145.8 Ų145.886%0.86177%0.772SS**  -17216293.1-123.4-36.4000113.4
322H46.1Very low46.1Very low150 Ų150150.1 Ų150.169%0.69478%0.78SS**  trans-88.4-178.4-160.9-146.4-93.3000113.6
323D48.5Very low46.1Very low134 Ų134155.5 Ų155.572%0.71779%0.786SS**  trans84.5100.9165.5-62.9-16.8000116.9
324K47.8Very low46.2Very low173 Ų173157.9 Ų157.975%0.75279%0.793SS**  51.7109.462.8-68.1-164.4178.8179.30115
325D45.2Very low46.3Very low149 Ų149155.6 Ų155.680%0.79779%0.787SS**  trans71.4151.5151-62.1-33.5000118.8
326V51.2Low46.9Very low125 Ų125154.6 Ų154.676%0.75879%0.786SS**  trans103.4108.4157.7-167.30000115.4
327T49.3Very low47.3Very low124 Ų124155.5 Ų155.576%0.76179%0.791SS**  trans8993.3146.952.90000119.7
328E44.7Very low47.7Very low184 Ų184155.1 Ų155.186%0.8679%0.794SS**  trans-37.7148.1131.6-71.3-171.5130.100113.1
329S42Very low48.1Very low111 Ų111159.3 Ų159.378%0.77682%0.819SS**SBendtrans75.3125.2165.5-70.30000118
330C47.2Very low48.5Very low112 Ų112157.6 Ų157.676%0.75782%0.818SS**  trans91.973.3167.7-57.70000117.6
331I47Very low48.6Very low175 Ų175159.1 Ų159.190%0.89783%0.825SS**  trans-10276.2138.2-57.8-179.4000108
332R49.9Very low48.6Very low221 Ų221159 Ų15983%0.83482%0.823SS**  trans-61.7126.1143.8-83.2-176.3-178.5-171.11106.9
333R47.6Very low48.8Very low227 Ų227159.5 Ų159.586%0.85783%0.83SS**  trans162.491.1134.6-89.2172.2-160.9176.47.3108.9
334R47.4Very low48.8Very low256 Ų256161.1 Ų161.197%0.96684%0.837SS**  trans-124.988.1140.7-144.7172.3-161.8147.33.5106.7
335L50.7Low48.8Very low144 Ų144160.3 Ų160.375%0.75484%0.843SS**  trans-51.6147.2156.7-84.9135.9000108.8
336V54.4Low49.1Very low126 Ų126161.1 Ų161.176%0.76485%0.846SS**  trans148.5138.5137167.20000110.1
337T54.8Low48.9Very low128 Ų128163.9 Ų163.979%0.78585%0.853SS**  trans77.199.4173.768.90000116.6
338S51.4Low48.9Very low112 Ų112167.3 Ų167.378%0.78386%0.861SS**  71.581.555.6-168.70000114
339T49.9Very low49.3Very low211 Ų211165.7 Ų165.7100%1.29486%0.861SS**  171.80109.7380000109

Retrieved 339 of 339 residues in 277 ms (Link to these results)

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